WorldWideScience

Sample records for atomistic fracture mechanics

  1. Atomistic modeling of BN nanofillers for mechanical and thermal properties: a review.

    Science.gov (United States)

    Kumar, Rajesh; Parashar, Avinash

    2016-01-07

    Due to their exceptional mechanical properties, thermal conductivity and a wide band gap (5-6 eV), boron nitride nanotubes and nanosheets have promising applications in the field of engineering and biomedical science. Accurate modeling of failure or fracture in a nanomaterial inherently involves coupling of atomic domains of cracks and voids as well as a deformation mechanism originating from grain boundaries. This review highlights the recent progress made in the atomistic modeling of boron nitride nanofillers. Continuous improvements in computational power have made it possible to study the structural properties of these nanofillers at the atomistic scale.

  2. Assessing the fracture strength of geological and related materials via an atomistically based J-integral

    Science.gov (United States)

    Jones, R. E.; Criscenti, L. J.; Rimsza, J.

    2016-12-01

    Predicting fracture initiation and propagation in low-permeability geomaterials is a critical yet un- solved problem crucial to assessing shale caprocks at carbon dioxide sequestration sites, and controlling fracturing for gas and oil extraction. Experiments indicate that chemical reactions at fluid-geomaterial interfaces play a major role in subcritical crack growth by weakening the material and altering crack nu- cleation and growth rates. Engineering the subsurface fracture environment, however, has been hindered by a lack of understanding of the mechanisms relating chemical environment to mechanical outcome, and a lack of capability directly linking atomistic insight to macroscale observables. We have developed a fundamental atomic-level understanding of the chemical-mechanical mecha- nisms that control subcritical cracks through coarse-graining data from reactive molecular simulations. Previous studies of fracture at the atomic level have typically been limited to producing stress-strain curves, quantifying either the system-level stress or energy at which fracture propagation occurs. As such, these curves are neither characteristic of nor insightful regarding fracture features local to the crack tip. In contrast, configurational forces, such as the J-integral, are specific to the crack in that they measure the energy available to move the crack and truly quantify fracture resistance. By development and use of field estimators consistent with the continuum conservation properties we are able to connect the data produced by atomistic simulation to the continuum-level theory of fracture mechanics and thus inform engineering decisions. In order to trust this connection we have performed theoretical consistency tests and validation with experimental data. Although we have targeted geomaterials, this capability can have direct impact on other unsolved technological problems such as predicting the corrosion and embrittlement of metals and ceramics. Sandia National

  3. Intergranular fracture in UO2: derivation of traction-separation law from atomistic simulations

    Energy Technology Data Exchange (ETDEWEB)

    Yongfeng Zhang; Paul C Millett; Michael R Tonks; Xian-Ming Bai; S Bulent Biner

    2013-10-01

    In this study, the intergranular fracture behavior of UO2 was studied by molecular dynamics simulations using the Basak potential. In addition, the constitutive traction-separation law was derived from atomistic data using the cohesive-zone model. In the simulations a bicrystal model with the (100) symmetric tilt E5 grain boundaries was utilized. Uniaxial tension along the grain boundary normal was applied to simulate Mode-I fracture. The fracture was observed to propagate along the grain boundary by micro-pore nucleation and coalescence, giving an overall intergranular fracture behavior. Phase transformations from the Fluorite to the Rutile and Scrutinyite phases were identified at the propagating crack tips. These new phases are metastable and they transformed back to the Fluorite phase at the wake of crack tips as the local stress concentration was relieved by complete cracking. Such transient behavior observed at atomistic scale was found to substantially increase the energy release rate for fracture. Insertion of Xe gas into the initial notch showed minor effect on the overall fracture behavior.

  4. Finite element analysis of an atomistically derived cohesive model for brittle fracture

    International Nuclear Information System (INIS)

    Lloyd, J T; McDowell, D L; Zimmerman, J A; Jones, R E; Zhou, X W

    2011-01-01

    In order to apply information from molecular dynamics (MD) simulations in problems governed by engineering length and time scales, a coarse graining methodology must be used. In previous work by Zhou et al (2009 Acta Mater. 57 4671–86), a traction-separation cohesive model was developed using results from MD simulations with atomistic-to-continuum measures of stress and displacement. Here, we implement this cohesive model within a combined finite element/cohesive surface element framework (referred to as a finite element approach or FEA), and examine the ability for the atomistically informed FEA to directly reproduce results from MD. We find that FEA shows close agreement of both stress and crack opening displacement profiles at the cohesive interface, although some differences do exist that can be attributed to the stochastic nature of finite temperature MD. The FEA methodology is then used to study slower loading rates that are computationally expensive for MD. We find that the crack growth process initially exhibits a rate-independent relationship between crack length and boundary displacement, followed by a rate-dependent regime where, at a given amount of boundary displacement, a lower applied strain rate produces a longer crack length. Our method is also extended to larger length scales by simulating a compact tension fracture-mechanics specimen with sub-micrometer dimensions. Such a simulation shows a computational speedup of approximately four orders of magnitude over conventional atomistic simulation, while exhibiting the expected fracture-mechanics response. Finally, differences between FEA and MD are explored with respect to ensemble and temperature effects in MD, and their impact on the cohesive model and crack growth behavior. These results enable us to make several recommendations to improve the methodology used to derive cohesive laws from MD simulations. In light of this work, which has critical implications for efforts to derive continuum laws

  5. Crack growth and fracture toughness of amorphous Li-Si anodes: Mechanisms and role of charging/discharging studied by atomistic simulations

    Science.gov (United States)

    Khosrownejad, S. M.; Curtin, W. A.

    2017-10-01

    Fracture is the main cause of degradation and capacity fading in lithiated silicon during cycling. Experiments on the fracture of lithiated silicon show conflicting results, and so mechanistic models can help interpret experiments and guide component design. Here, large-scale K-controlled atomistic simulations of crack propagation (R-curve KI vs. Δa) are performed at LixSi compositions x = 0.5 , 1.0 , 1.5 for as-quenched/relaxed samples and at x = 0.5 , 1.0 for samples created by discharging from higher Li compositions. In all cases, the fracture mechanism is void nucleation, growth, and coalescence. In as-quenched materials, with increasing Li content the plastic flow stress and elastic moduli decrease but void nucleation and growth happen at smaller stress, so that the initial fracture toughness KIc ≈ 1.0 MPa√{ m} decreases slightly but the initial fracture energy JIc ≈ 10.5J/m2 is similar. After 10 nm of crack growth, the fracture toughnesses increase and become similar at KIc ≈ 1.9 MPa√{ m} across all compositions. Plane-strain equi-biaxial expansion simulations of uncracked samples provide complementary information on void nucleation and growth. The simulations are interpreted within the framework of Gurson model for ductile fracture, which predicts JIc = ασy D where α ≃ 1 and D is the void spacing, and good agreement is found. In spite of flowing plastically, the fracture toughness of LixSi is low because voids nucleate within nano-sized distances ahead of the crack (D ≈ 1nm). Scaling simulation results to experimental conditions, reasonable agreement with experimentally-estimated fracture toughnesses is obtained. The discharging process facilitates void nucleation but decreases the flow stress (as shown previously), leading to enhanced fracture toughness at all levels of crack growth. Therefore, the fracture behavior of lithiated silicon at a given composition is not a material property but instead depends on the history of charging

  6. Atomistic simulation and continuum modeling of graphene nanoribbons under uniaxial tension

    International Nuclear Information System (INIS)

    Lu, Qiang; Gao, Wei; Huang, Rui

    2011-01-01

    Atomistic simulations are performed to study the nonlinear mechanical behavior of graphene nanoribbons under quasistatic uniaxial tension, emphasizing the effects of edge structures (armchair and zigzag, without and with hydrogen passivation) on elastic modulus and fracture strength. The numerical results are analyzed within a theoretical model of thermodynamics, which enables determination of the bulk strain energy density, the edge energy density and the hydrogen adsorption energy density as nonlinear functions of the applied strain based on static molecular mechanics simulations. These functions can be used to describe mechanical behavior of graphene nanoribbons from the initial linear elasticity to fracture. It is found that the initial Young's modulus of a graphene nanoribbon depends on the ribbon width and the edge chirality. Furthermore, it is found that the nominal strain to fracture is considerably lower for graphene nanoribbons with armchair edges than for ribbons with zigzag edges. Molecular dynamics simulations reveal two distinct fracture nucleation mechanisms: homogeneous nucleation for the zigzag-edged graphene nanoribbons and edge-controlled heterogeneous nucleation for the armchair-edged ribbons. The modeling and simulations in this study highlight the atomistic mechanisms for the nonlinear mechanical behavior of graphene nanoribbons with the edge effects, which is potentially important for developing integrated graphene-based devices

  7. An atomistic methodology of energy release rate for graphene at nanoscale

    International Nuclear Information System (INIS)

    Zhang, Zhen; Lee, James D.; Wang, Xianqiao

    2014-01-01

    Graphene is a single layer of carbon atoms packed into a honeycomb architecture, serving as a fundamental building block for electric devices. Understanding the fracture mechanism of graphene under various conditions is crucial for tailoring the electrical and mechanical properties of graphene-based devices at atomic scale. Although most of the fracture mechanics concepts, such as stress intensity factors, are not applicable in molecular dynamics simulation, energy release rate still remains to be a feasible and crucial physical quantity to characterize the fracture mechanical property of materials at nanoscale. This work introduces an atomistic simulation methodology, based on the energy release rate, as a tool to unveil the fracture mechanism of graphene at nanoscale. This methodology can be easily extended to any atomistic material system. We have investigated both opening mode and mixed mode at different temperatures. Simulation results show that the critical energy release rate of graphene is independent of initial crack length at low temperature. Graphene with inclined pre-crack possesses higher fracture strength and fracture deformation but smaller critical energy release rate compared with the graphene with vertical pre-crack. Owing to its anisotropy, graphene with armchair chirality always has greater critical energy release rate than graphene with zigzag chirality. The increase of temperature leads to the reduction of fracture strength, fracture deformation, and the critical energy release rate of graphene. Also, higher temperature brings higher randomness of energy release rate of graphene under a variety of predefined crack lengths. The energy release rate is independent of the strain rate as long as the strain rate is small enough

  8. Mechanical properties of silicon in subsurface damage layer from nano-grinding studied by atomistic simulation

    Science.gov (United States)

    Zhang, Zhiwei; Chen, Pei; Qin, Fei; An, Tong; Yu, Huiping

    2018-05-01

    Ultra-thin silicon wafer is highly demanded by semi-conductor industry. During wafer thinning process, the grinding technology will inevitably induce damage to the surface and subsurface of silicon wafer. To understand the mechanism of subsurface damage (SSD) layer formation and mechanical properties of SSD layer, atomistic simulation is the effective tool to perform the study, since the SSD layer is in the scale of nanometer and hardly to be separated from underneath undamaged silicon. This paper is devoted to understand the formation of SSD layer, and the difference between mechanical properties of damaged silicon in SSD layer and ideal silicon. With the atomistic model, the nano-grinding process could be performed between a silicon workpiece and diamond tool under different grinding speed. To reach a thinnest SSD layer, nano-grinding speed will be optimized in the range of 50-400 m/s. Mechanical properties of six damaged silicon workpieces with different depths of cut will be studied. The SSD layer from each workpiece will be isolated, and a quasi-static tensile test is simulated to perform on the isolated SSD layer. The obtained stress-strain curve is an illustration of overall mechanical properties of SSD layer. By comparing the stress-strain curves of damaged silicon and ideal silicon, a degradation of Young's modulus, ultimate tensile strength (UTS), and strain at fracture is observed.

  9. Mechanical properties of silicon in subsurface damage layer from nano-grinding studied by atomistic simulation

    Directory of Open Access Journals (Sweden)

    Zhiwei Zhang

    2018-05-01

    Full Text Available Ultra-thin silicon wafer is highly demanded by semi-conductor industry. During wafer thinning process, the grinding technology will inevitably induce damage to the surface and subsurface of silicon wafer. To understand the mechanism of subsurface damage (SSD layer formation and mechanical properties of SSD layer, atomistic simulation is the effective tool to perform the study, since the SSD layer is in the scale of nanometer and hardly to be separated from underneath undamaged silicon. This paper is devoted to understand the formation of SSD layer, and the difference between mechanical properties of damaged silicon in SSD layer and ideal silicon. With the atomistic model, the nano-grinding process could be performed between a silicon workpiece and diamond tool under different grinding speed. To reach a thinnest SSD layer, nano-grinding speed will be optimized in the range of 50-400 m/s. Mechanical properties of six damaged silicon workpieces with different depths of cut will be studied. The SSD layer from each workpiece will be isolated, and a quasi-static tensile test is simulated to perform on the isolated SSD layer. The obtained stress-strain curve is an illustration of overall mechanical properties of SSD layer. By comparing the stress-strain curves of damaged silicon and ideal silicon, a degradation of Young’s modulus, ultimate tensile strength (UTS, and strain at fracture is observed.

  10. Fracture Mechanics

    International Nuclear Information System (INIS)

    Jang, Dong Il; Jeong, Gyeong Seop; Han, Min Gu

    1992-08-01

    This book introduces basic theory and analytical solution of fracture mechanics, linear fracture mechanics, non-linear fracture mechanics, dynamic fracture mechanics, environmental fracture and fatigue fracture, application on design fracture mechanics, application on analysis of structural safety, engineering approach method on fracture mechanics, stochastic fracture mechanics, numerical analysis code and fracture toughness test and fracture toughness data. It gives descriptions of fracture mechanics to theory and analysis from application of engineering.

  11. Atomistic investigations on the mechanical properties and fracture mechanisms of indium phosphide nanowires.

    Science.gov (United States)

    Pial, Turash Haque; Rakib, Tawfiqur; Mojumder, Satyajit; Motalab, Mohammad; Akanda, M A Salam

    2018-03-28

    The mechanical properties of indium phosphide (InP) nanowires are an emerging issue due to the promising applications of these nanowires in nanoelectromechanical and microelectromechanical devices. In this study, molecular dynamics simulations of zincblende (ZB) and wurtzite (WZ) crystal structured InP nanowires (NWs) are presented under uniaxial tension at varying sizes and temperatures. It is observed that the tensile strengths of both types of NWs show inverse relationships with temperature, but are independent of the size of the nanowires. Moreover, applied load causes brittle fracture by nucleating cleavage on ZB and WZ NWs. When the tensile load is applied along the [001] direction, the direction of the cleavage planes of ZB NWs changes with temperature. It is found that the {111} planes are the cleavage planes at lower temperatures; on the other hand, the {110} cleavage planes are activated at elevated temperatures. In the case of WZ NWs, fracture of the material is observed to occur by cleaving along the (0001) plane irrespective of temperature when the tensile load is applied along the [0001] direction. Furthermore, the WZ NWs of InP show considerably higher strength than their ZB counterparts. Finally, the impact of strain rate on the failure behavior of InP NWs is also studied, and higher fracture strengths and strains at higher strain rates are found. With increasing strain rate, the number of cleavages also increases in the NWs. This paper also provides in-depth understanding of the failure behavior of InP NWs, which will aid the design of efficient InP NWs-based devices.

  12. Atomistic simulations of Mg-Cu metallic glasses: Mechanical properties

    DEFF Research Database (Denmark)

    Bailey, Nicholas; Schiøtz, Jakob; Jacobsen, Karsten Wedel

    2004-01-01

    The atomistic mechanisms of plastic deformation in amorphous metals are far from being understood. We have derived potential parameters for molecular dynamics simulations of Mg-Cu amorphous alloys using the Effective Medium Theory. We have simulated the formation of alloys by cooling from the melt...

  13. Fracture Mechanics

    CERN Document Server

    Zehnder, Alan T

    2012-01-01

    Fracture mechanics is a vast and growing field. This book develops the basic elements needed for both fracture research and engineering practice. The emphasis is on continuum mechanics models for energy flows and crack-tip stress- and deformation fields in elastic and elastic-plastic materials. In addition to a brief discussion of computational fracture methods, the text includes practical sections on fracture criteria, fracture toughness testing, and methods for measuring stress intensity factors and energy release rates. Class-tested at Cornell, this book is designed for students, researchers and practitioners interested in understanding and contributing to a diverse and vital field of knowledge. Alan Zehnder joined the faculty at Cornell University in 1988. Since then he has served in a number of leadership roles including Chair of the Department of Theoretical and Applied Mechanics, and Director of the Sibley School of Mechanical and Aerospace Engineering.  He teaches applied mechanics and his research t...

  14. Fracture mechanics

    CERN Document Server

    Perez, Nestor

    2017-01-01

    The second edition of this textbook includes a refined presentation of concepts in each chapter, additional examples; new problems and sections, such as conformal mapping and mechanical behavior of wood; while retaining all the features of the original book. The material included in this book is based upon the development of analytical and numerical procedures pertinent to particular fields of linear elastic fracture mechanics (LEFM) and plastic fracture mechanics (PFM), including mixed-mode-loading interaction. The mathematical approach undertaken herein is coupled with a brief review of several fracture theories available in cited references, along with many color images and figures. Dynamic fracture mechanics is included through the field of fatigue and Charpy impact testing. Explains computational and engineering approaches for solving crack-related problems using straightforward mathematics that facilitate comprehension of the physical meaning of crack growth processes; Expands computational understandin...

  15. Concurrent atomistic and continuum simulation of bi-crystal strontium titanate with tilt grain boundary.

    Science.gov (United States)

    Yang, Shengfeng; Chen, Youping

    2015-03-08

    In this paper, we present the development of a concurrent atomistic-continuum (CAC) methodology for simulation of the grain boundary (GB) structures and their interaction with other defects in ionic materials. Simulation results show that the CAC simulation allows a smooth passage of cracks through the atomistic-continuum interface without the need for additional constitutive rules or special numerical treatment; both the atomic-scale structures and the energies of the four different [001] tilt GBs in bi-crystal strontium titanate obtained by CAC compare well with those obtained by existing experiments and density function theory calculations. Although 98.4% of the degrees of freedom of the simulated atomistic system have been eliminated in a coarsely meshed finite-element region, the CAC results, including the stress-strain responses, the GB-crack interaction mechanisms and the effect of the interaction on the fracture strength, are comparable with that of all-atom molecular dynamics simulation results. In addition, CAC simulation results show that the GB-crack interaction has a significant effect on the fracture behaviour of bi-crystal strontium titanate; not only the misorientation angle but also the atomic-level details of the GB structure influence the effect of the GB on impeding crack propagation.

  16. Fracture mechanical materials characterisation

    International Nuclear Information System (INIS)

    Wallin, K.; Planman, T.; Nevalainen, M.

    1998-01-01

    The experimental fracture mechanics development has been focused on the determination of reliable lower-bound fracture toughness estimates from small and miniature specimens, in particular considering the statistical aspects and loading rate effects of fracture mechanical material properties. Additionally, materials aspects in fracture assessment of surface cracks, with emphasis on the transferability of fracture toughness data to structures with surface flaws have been investigated. Further a modified crack-arrest fracture toughness test method, to increase the effectiveness of testing, has been developed. (orig.)

  17. Why ductile fracture mechanics

    International Nuclear Information System (INIS)

    Ritchie, R.O.

    1983-01-01

    Until recently, the engineering application of fracture mechanics has been specific to a description of macroscopic fracture behavior in components and structural parts which remain nominally elastic under loading. While this approach, termed linear elastic fracture mechanics, has been found to be invaluable for the continuum analysis of crack growth in brittle and high strength materials, it is clearly inappropriate for characterizing failure in lower strength ductile alloys where extensive inelastic deformation precedes and accompanies crack initiation and subsequent propagation. Accordingly, much effort has been devoted in recent years toward the development of nonlinear or ductile fracture mechanics methodology to characterize fracture behavior under elastic/plastic conditions; an effort which has been principally motivated by problems in nuclear industry. In this paper, the concepts of ductile (elastic/plastic) fracture mechanics are introduced and applied to the problem of both stationary and nonstationary cracks. Specifically, the limitations inherent in this approach are defined, together with a description of the microstructural considerations and applications relevant to the failure of ductile materials by fracture, fatigue, and creep

  18. Fatigue mechanisms in an austenitic steel under cyclic loading: Experiments and atomistic simulations

    Energy Technology Data Exchange (ETDEWEB)

    Soppa, E.A., E-mail: ewa.soppa@mpa.uni-stuttgart.de; Kohler, C., E-mail: christopher.kohler@mpa.uni-stuttgart.de; Roos, E., E-mail: eberhard.roos@mpa.uni-stuttgart.de

    2014-03-01

    Experimental investigations on the austenitic stainless steel X6CrNiNb18-10 (AISI – 347) and concomitant atomistic simulations of a FeNi nanocrystalline model system have been performed in order to understand the basic mechanisms of fatigue damage under cyclic loading. Using electron backscatter diffraction (EBSD) the influence of deformation induced martensitic transformation and NbC size distribution on the fatigue crack formation has been demonstrated. The martensite nucleates prevalently at grain boundaries, triple points and at the specimen free surface and forms small (∼1 µm sized) differently oriented grains. The atomistic simulations show the role of regions of a high density of stacking faults for the martensitic transformation.

  19. Simulating Surface-Enhanced Hyper-Raman Scattering Using Atomistic Electrodynamics-Quantum Mechanical Models.

    Science.gov (United States)

    Hu, Zhongwei; Chulhai, Dhabih V; Jensen, Lasse

    2016-12-13

    Surface-enhanced hyper-Raman scattering (SEHRS) is the two-photon analogue of surface-enhanced Raman scattering (SERS), which has proven to be a powerful tool to study molecular structures and surface enhancements. However, few theoretical approaches to SEHRS exist and most neglect the atomistic descriptions of the metal surface and molecular resonance effects. In this work, we present two atomistic electrodynamics-quantum mechanical models to simulate SEHRS. The first is the discrete interaction model/quantum mechanical (DIM/QM) model, which combines an atomistic electrodynamics model of the nanoparticle with a time-dependent density functional theory description of the molecule. The second model is a dressed-tensors method that describes the molecule as a point-dipole and point-quadrupole object interacting with the enhanced local field and field-gradients (FG) from the nanoparticle. In both of these models, the resonance effects are treated efficiently by means of damped quadratic response theory. Using these methods, we simulate SEHRS spectra for benzene and pyridine. Our results show that the FG effects in SEHRS play an important role in determining both the surface selection rules and the enhancements. We find that FG effects are more important in SEHRS than in SERS. We also show that the spectral features of small molecules can be accurately described by accounting for the interactions between the molecule and the local field and FG of the nanoparticle. However, at short distances between the metal and molecule, we find significant differences in the SEHRS enhancements predicted using the DIM/QM and the dressed-tensors methods.

  20. Collaborative Simulation Grid: Multiscale Quantum-Mechanical/Classical Atomistic Simulations on Distributed PC Clusters in the US and Japan

    Science.gov (United States)

    Kikuchi, Hideaki; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya; Iyetomi, Hiroshi; Ogata, Shuji; Kouno, Takahisa; Shimojo, Fuyuki; Tsuruta, Kanji; Saini, Subhash; hide

    2002-01-01

    A multidisciplinary, collaborative simulation has been performed on a Grid of geographically distributed PC clusters. The multiscale simulation approach seamlessly combines i) atomistic simulation backed on the molecular dynamics (MD) method and ii) quantum mechanical (QM) calculation based on the density functional theory (DFT), so that accurate but less scalable computations are performed only where they are needed. The multiscale MD/QM simulation code has been Grid-enabled using i) a modular, additive hybridization scheme, ii) multiple QM clustering, and iii) computation/communication overlapping. The Gridified MD/QM simulation code has been used to study environmental effects of water molecules on fracture in silicon. A preliminary run of the code has achieved a parallel efficiency of 94% on 25 PCs distributed over 3 PC clusters in the US and Japan, and a larger test involving 154 processors on 5 distributed PC clusters is in progress.

  1. Fracture mechanics. With an introduction to micromechanics

    International Nuclear Information System (INIS)

    Gross, D.

    2006-01-01

    Concerned with the fundamental concepts and methods of fracture mechanics and micromechanics, Fracture Mechanics primarily focuses on the mechanical description of the fracture process; however, material specific aspects are also discussed. The presentation of continuum mechanical and phenomenological foundations is followed by an introduction into classical failure hypotheses. A major part of the book is devoted to linear elastic and elastic-plastic fracture mechanics. Further subjects are creep fracture, dynamic fracture mechanics, damage mechanics, probabilistic fracture mechanics, failure of thin films and fracture of piezoelectric materials. The book also contains an extensive introduction into micromechanics. Self-contained and well-illustrated, this text serves as a graduate-level text and reference

  2. Mechanical properties of fracture zones

    International Nuclear Information System (INIS)

    Leijon, B.

    1993-05-01

    Available data on mechanical characteristics of fracture zones are compiled and discussed. The aim is to improve the basis for adequate representation of fracture zones in geomechanical models. The sources of data researched are primarily borehole investigations and case studies in rock engineering, involving observations of fracture zones subjected to artificial load change. Boreholes only yield local information about the components of fracture zones, i.e. intact rock, fractures and various low-strength materials. Difficulties are therefore encountered in evaluating morphological and mechanical properties of fracture zones from borehole data. Although often thought of as macroscopically planar features, available field data consistently show that fracture zones are characterized by geometrical irregularities such as thickness variations, surface undulation and jogs. These irregularities prevail on all scales. As a result, fracture zones are on all scales characterized by large, in-plane variation of strength- and deformational properties. This has important mechanical consequences in terms of non-uniform stress transfer and complex mechanisms of shear deformation. Field evidence for these findings, in particular results from the underground research laboratory in Canada and from studies of induced fault slip in deep mines, is summarized and discussed. 79 refs

  3. Atomistic insight into the catalytic mechanism of glycosyltransferases by combined quantum mechanics/molecular mechanics (QM/MM) methods.

    Science.gov (United States)

    Tvaroška, Igor

    2015-02-11

    Glycosyltransferases catalyze the formation of glycosidic bonds by assisting the transfer of a sugar residue from donors to specific acceptor molecules. Although structural and kinetic data have provided insight into mechanistic strategies employed by these enzymes, molecular modeling studies are essential for the understanding of glycosyltransferase catalyzed reactions at the atomistic level. For such modeling, combined quantum mechanics/molecular mechanics (QM/MM) methods have emerged as crucial. These methods allow the modeling of enzymatic reactions by using quantum mechanical methods for the calculation of the electronic structure of the active site models and treating the remaining enzyme environment by faster molecular mechanics methods. Herein, the application of QM/MM methods to glycosyltransferase catalyzed reactions is reviewed, and the insight from modeling of glycosyl transfer into the mechanisms and transition states structures of both inverting and retaining glycosyltransferases are discussed. Copyright © 2014 Elsevier Ltd. All rights reserved.

  4. An efficient atomistic quantum mechanical simulation on InAs band-to-band tunneling field-effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhi [State Key Laboratory for Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, P.O. Box 912, Beijing 100083 (China); Jiang, Xiang-Wei; Li, Shu-Shen [State Key Laboratory for Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, P.O. Box 912, Beijing 100083 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Wang, Lin-Wang, E-mail: lwwang@lbl.gov [Material Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2014-03-24

    We have presented a fully atomistic quantum mechanical simulation method on band-to-band tunneling (BTBT) field-effect transistors (FETs). Our simulation approach is based on the linear combination of bulk band method with empirical pseudopotentials, which is an atomist method beyond the effective-mass approximation or k.p perturbation method, and can be used to simulate real-size devices (∼10{sup 5} atoms) efficiently (∼5 h on a few computational cores). Using this approach, we studied the InAs dual-gate BTBT FETs. The I-V characteristics from our approach agree very well with the tight-binding non-equilibrium Green's function results, yet our method costs much less computationally. In addition, we have studied ways to increase the tunneling current and analyzed the effects of different mechanisms for that purpose.

  5. An efficient atomistic quantum mechanical simulation on InAs band-to-band tunneling field-effect transistors

    International Nuclear Information System (INIS)

    Wang, Zhi; Jiang, Xiang-Wei; Li, Shu-Shen; Wang, Lin-Wang

    2014-01-01

    We have presented a fully atomistic quantum mechanical simulation method on band-to-band tunneling (BTBT) field-effect transistors (FETs). Our simulation approach is based on the linear combination of bulk band method with empirical pseudopotentials, which is an atomist method beyond the effective-mass approximation or k.p perturbation method, and can be used to simulate real-size devices (∼10 5 atoms) efficiently (∼5 h on a few computational cores). Using this approach, we studied the InAs dual-gate BTBT FETs. The I-V characteristics from our approach agree very well with the tight-binding non-equilibrium Green's function results, yet our method costs much less computationally. In addition, we have studied ways to increase the tunneling current and analyzed the effects of different mechanisms for that purpose

  6. Multiscale methods coupling atomistic and continuum mechanics: analysis of a simple case

    OpenAIRE

    Blanc , Xavier; Le Bris , Claude; Legoll , Frédéric

    2007-01-01

    International audience; The description and computation of fine scale localized phenomena arising in a material (during nanoindentation, for instance) is a challenging problem that has given birth to many multiscale methods. In this work, we propose an analysis of a simple one-dimensional method that couples two scales, the atomistic one and the continuum mechanics one. The method includes an adaptive criterion in order to split the computational domain into two subdomains, that are described...

  7. Dynamic coarse-graining fills the gap between atomistic simulations and experimental investigations of mechanical unfolding

    Science.gov (United States)

    Knoch, Fabian; Schäfer, Ken; Diezemann, Gregor; Speck, Thomas

    2018-01-01

    We present a dynamic coarse-graining technique that allows one to simulate the mechanical unfolding of biomolecules or molecular complexes on experimentally relevant time scales. It is based on Markov state models (MSMs), which we construct from molecular dynamics simulations using the pulling coordinate as an order parameter. We obtain a sequence of MSMs as a function of the discretized pulling coordinate, and the pulling process is modeled by switching among the MSMs according to the protocol applied to unfold the complex. This way we cover seven orders of magnitude in pulling speed. In the region of rapid pulling, we additionally perform steered molecular dynamics simulations and find excellent agreement between the results of the fully atomistic and the dynamically coarse-grained simulations. Our technique allows the determination of the rates of mechanical unfolding in a dynamical range from approximately 10-8/ns to 1/ns thus reaching experimentally accessible time regimes without abandoning atomistic resolution.

  8. Peridynamics as a rigorous coarse-graining of atomistics for multiscale materials design

    International Nuclear Information System (INIS)

    Lehoucq, Richard B.; Aidun, John Bahram; Silling, Stewart Andrew; Sears, Mark P.; Kamm, James R.; Parks, Michael L.

    2010-01-01

    This report summarizes activities undertaken during FY08-FY10 for the LDRD Peridynamics as a Rigorous Coarse-Graining of Atomistics for Multiscale Materials Design. The goal of our project was to develop a coarse-graining of finite temperature molecular dynamics (MD) that successfully transitions from statistical mechanics to continuum mechanics. The goal of our project is to develop a coarse-graining of finite temperature molecular dynamics (MD) that successfully transitions from statistical mechanics to continuum mechanics. Our coarse-graining overcomes the intrinsic limitation of coupling atomistics with classical continuum mechanics via the FEM (finite element method), SPH (smoothed particle hydrodynamics), or MPM (material point method); namely, that classical continuum mechanics assumes a local force interaction that is incompatible with the nonlocal force model of atomistic methods. Therefore FEM, SPH, and MPM inherit this limitation. This seemingly innocuous dichotomy has far reaching consequences; for example, classical continuum mechanics cannot resolve the short wavelength behavior associated with atomistics. Other consequences include spurious forces, invalid phonon dispersion relationships, and irreconcilable descriptions/treatments of temperature. We propose a statistically based coarse-graining of atomistics via peridynamics and so develop a first of a kind mesoscopic capability to enable consistent, thermodynamically sound, atomistic-to-continuum (AtC) multiscale material simulation. Peridynamics (PD) is a microcontinuum theory that assumes nonlocal forces for describing long-range material interaction. The force interactions occurring at finite distances are naturally accounted for in PD. Moreover, PDs nonlocal force model is entirely consistent with those used by atomistics methods, in stark contrast to classical continuum mechanics. Hence, PD can be employed for mesoscopic phenomena that are beyond the realms of classical continuum mechanics and

  9. Fracture mechanics safety approaches

    International Nuclear Information System (INIS)

    Roos, E.; Schuler, X.; Eisele, U.

    2004-01-01

    Component integrity assessments require the knowledge of reliable fracture toughness parameters characterising the initiation of the failure process in the whole relevant temperature range. From a large number of fracture mechanics tests a statistically based procedure was derived allowing to quantify the initiation of fracture toughness as a function of temperature as a closed function as well as the temperature dependence of the cleavage instability parameters. Alternatively to the direct experimental determination one also can use a correlation between fracture toughness and notch impact energy. (orig.)

  10. Fracture mechanics of piezoelectric and ferroelectric solids

    CERN Document Server

    Fang, Daining

    2013-01-01

    Fracture Mechanics of Piezoelectric and Ferroelectric Solids presents a systematic and comprehensive coverage of the fracture mechanics of piezoelectric/ferroelectric materials, which includes the theoretical analysis, numerical computations and experimental observations. The main emphasis is placed on the mechanics description of various crack problems such static, dynamic and interface fractures as well as the physical explanations for the mechanism of electrically induced fracture. The book is intended for postgraduate students, researchers and engineers in the fields of solid mechanics, applied physics, material science and mechanical engineering. Dr. Daining Fang is a professor at the School of Aerospace, Tsinghua University, China; Dr. Jinxi Liu is a professor at the Department of Engineering Mechanics, Shijiazhuang Railway Institute, China.

  11. Fracture Mechanics of Concrete

    DEFF Research Database (Denmark)

    Ulfkjær, Jens Peder

    Chapter 1 Chapter l contains the introduction to this thesis. The scope of the thesis is partly to investigate different numerical and analytical models based on fracture mechanical ideas, which are able to predict size effects, and partly to perform an experimental investigation on high-strength......Chapter 1 Chapter l contains the introduction to this thesis. The scope of the thesis is partly to investigate different numerical and analytical models based on fracture mechanical ideas, which are able to predict size effects, and partly to perform an experimental investigation on high......-strength concrete. Chapter 2 A description of the factors which influence the strength and cracking of concrete and high strength concrete is made. Then basic linear fracture mechanics is outlined followed by a description and evaluation of the models used to describe concrete fracture in tension. The chapter ends...... and the goveming equations are explicit and simple. These properties of the model make it a very powerful tool, which is applicable for the designing engineer. The method is also extended to reinforced concrete, where the results look very promising. The large experimental investigation on high-strength concrete...

  12. Mechanical Behaviour of Materials Volume II Fracture Mechanics and Damage

    CERN Document Server

    François, Dominique; Zaoui, André

    2013-01-01

    Designing new structural materials, extending lifetimes and guarding against fracture in service are among the preoccupations of engineers, and to deal with these they need to have command of the mechanics of material behaviour. This ought to reflect in the training of students. In this respect, the first volume of this work deals with elastic, elastoplastic, elastoviscoplastic and viscoelastic behaviours; this second volume continues with fracture mechanics and damage, and with contact mechanics, friction and wear. As in Volume I, the treatment links the active mechanisms on the microscopic scale and the laws of macroscopic behaviour. Chapter I is an introduction to the various damage phenomena. Chapter II gives the essential of fracture mechanics. Chapter III is devoted to brittle fracture, chapter IV to ductile fracture and chapter V to the brittle-ductile transition. Chapter VI is a survey of fatigue damage. Chapter VII is devoted to hydogen embrittlement and to environment assisted cracking, chapter VIII...

  13. Recent trends in fracture and damage mechanics

    CERN Document Server

    Zybell, Lutz

    2016-01-01

    This book covers a wide range of topics in fracture and damage mechanics. It presents historical perspectives as well as recent innovative developments, presented by peer reviewed contributions from internationally acknowledged authors.  The volume deals with the modeling of fracture and damage in smart materials, current industrial applications of fracture mechanics, and it explores advances in fracture testing methods. In addition, readers will discover trends in the field of local approach to fracture and approaches using analytical mechanics. Scholars in the fields of materials science, engineering and computational science will value this volume which is dedicated to Meinhard Kuna on the occasion of his 65th birthday in 2015. This book incorporates the proceedings of an international symposium that was organized to honor Meinhard Kuna’s contributions to the field of theoretical and applied fracture and damage mechanics.

  14. Fracture mechanics

    International Nuclear Information System (INIS)

    Miannay, D.P.

    1995-01-01

    This book entitle ''Fracture Mechanics'', the first one of the monograph ''Materiologie'' is geared to design engineers, material engineers, non destructive inspectors and safety experts. This book covers fracture mechanics in isotropic homogeneous continuum. Only the monotonic static loading is considered. This book intended to be a reference with the current state of the art gives the fundamental of the issues under concern and avoids the developments too complicated or not yet mastered for not making reading cumbersome. The subject matter is organized as going from an easy to a more complicated level and thus follows the chronological evolution in the field. Similarly the microscopic scale is considered before the macroscopic scale, the physical understanding of phenomena linked to the experimental observation of the material preceded the understanding of the macroscopic behaviour of structures. In this latter field the relatively recent contribution of finite element computations with some analogy with the experimental observation is determining. However more sensitive analysis is not skipped

  15. Fracture mechanics and microstructures

    International Nuclear Information System (INIS)

    Gee, M.G.; Morrell, R.

    1986-01-01

    The influence of microstructure on defects in ceramics, and the consequences of their presence for the application of fracture mechanics theories are reviewed. The complexities of microstructures, especially the multiphase nature, the crystallographic anisotropy and the resultant anisotropic physical properties, and the variation of microstructure and surface finish from point to point in real components, all lead to considerable uncertainties in the actual performance of any particular component. It is concluded that although the concepts of fracture mechanics have been and will continue to be most useful for the qualitative explanation of fracture phenomena, the usefulness as a predictive tool with respect to most existing types of material is limited by the interrelation between material microstructure and mechanical properties. At present, the only method of eliminating components with unsatisfactory mechanical properties is to proof-test them, despite the fact that proof-testing itself is limited in ability to cope with changes to the component in service. The aim of the manufacturer must be to improve quality and consistency within individual components, from component to component, and from batch to batch. The aim of the fracture specialist must be to study longer-term properties to improve the accuracy of behaviour predictions with a stronger data base. Materials development needs to concentrate on obtaining defect-free materials that can be translated into more-reliable products, using our present understanding of the influence of microstructure on strength and toughness

  16. Failure of cement hydrates: freeze-thaw and fracture

    Science.gov (United States)

    Ioannidou, Katerina; Del Gado, Emanuela; Ulm, Franz-Josef; Pellenq, Roland

    Mechanical and viscoelastic behavior of concrete crucially depends on cement hydrates, the ``glue'' of cement. Even more than the atomistic structure, the mesoscale amorphous texture of cement hydrates over hundreds of nanometers plays a crucial role for material properties. We use simulations that combine information of the nano-scale building units of cement hydrates and on their effective interactions, obtained from atomistic simulations and experiments, into a statistical physics framework for aggregating nanoparticles.Our mesoscale model was able to reconcile different experimental results ranging from small-angle neutron scattering, SEM, adsorption/desorption of N2, and water to nanoindentation and gain the new fundamental insights into the microscopic origin of the properties measured. Our results suggest that heterogeneities developed during the early stages of hydration persist in the structure of C-S-H, impacting the rheological and mechanical performance of the hardened cement paste. In this talk I discuss recent investigation on failure mechanism at the mesoscale of hardened cement paste such as freeze-thaw and fracture. Using correlations between local volume fractions and local stress we provide a link between structural and mechanical heterogeneities during the failure mechanisms.

  17. Elastic plastic fracture mechanics

    International Nuclear Information System (INIS)

    Simpson, L.A.

    1978-07-01

    The application of linear elastic fracture mechanics (LEFM) to crack stability in brittle structures is now well understood and widely applied. However, in many structural materials, crack propagation is accompanied by considerable crack-tip plasticity which invalidates the use of LEFM. Thus, present day research in fracture mechanics is aimed at developing parameters for predicting crack propagation under elastic-plastic conditions. These include critical crack-opening-displacement methods, the J integral and R-curve techniques. This report provides an introduction to these concepts and gives some examples of their applications. (author)

  18. 35. Conference of the DVM Working Group on Fracture Processes: Advances in fracture and damage mechanics - simulation methods of fracture mechanics

    International Nuclear Information System (INIS)

    2003-01-01

    Subjects of the meeting were: Simulation of fatigue crack growth in real strucures using FEA (M. Fulland, Paderborn); Modelling of ductile crack growth (W. Brocks, Geesthacht); Advances in non-local modelling of ductile damage (F. Reusch et al., Berlin, Dortmund); Fracture mechanics of ceramics (D. Munz, Karlsruhe); From materials testing to vehicle crash testing (J.G. Blauel, Freiburg); Analytical simulation of crack growth in thin-walled structures (U. Zerbst, Geesthacht); The influence of intrinsic stresses on fatigue crack growth (C. Dalle Donne etc., Cologne, Dortmund, Pisa, and M. Sander, Paderborn); Fracture mechanical strength calculation in case of mixed mode loads on cracks (H.A. Richard, Paderborn); Numeric simulation of intrinsic stresses during welding (C. Veneziano, Freiburg); New research fields of the Fraunhofer-Institut fuer Werkstoffmechanik (P. Gumbsch, Head of the Institute, Freiburg); Modern developments and advances in fracture and damage mechanics; Numeric and experimental simulation of crack propagation and damage processes; Exemplary damage cases; Fracture mechanics in product development; Failure characteristics of lightweight constructional materials and joints [de

  19. Micro- and macroapproaches in fracture mechanics for interpreting brittle fracture and fatigue crack growth

    International Nuclear Information System (INIS)

    Ekobori, T.; Konosu, S.; Ekobori, A.

    1980-01-01

    Classified are models of the crack growth mechanism, and in the framework of the fracture mechanics suggested are combined micro- and macroapproaches to interpreting the criterion of the brittle fracture and fatigue crack growth as fracture typical examples, when temporal processes are important or unimportant. Under the brittle fracture conditions the crack propagation criterion is shown to be brought with the high accuracy to a form analogous to one of the crack propagation in a linear fracture mechanics although it is expressed with micro- and macrostructures. Obtained is a good agreement between theoretical and experimental data

  20. Designing molecular structure to achieve ductile fracture behavior in a stiff and strong 2D polymer, "graphylene".

    Science.gov (United States)

    Sandoz-Rosado, E; Beaudet, T D; Balu, R; Wetzel, E D

    2016-06-07

    As the simplest two-dimensional (2D) polymer, graphene has immensely high intrinsic strength and elastic stiffness but has limited toughness due to brittle fracture. We use atomistic simulations to explore a new class of graphene/polyethylene hybrid 2D polymer, "graphylene", that exhibits ductile fracture mechanisms and has a higher fracture toughness and flaw tolerance than graphene. A specific configuration of this 2D polymer hybrid, denoted "GrE-2" for the two-carbon-long ethylene chains connecting benzene rings in the inherent framework, is prioritized for study. MD simulations of crack propagation show that the energy release rate to propagate a crack in GrE-2 is twice that of graphene. We also demonstrate that GrE-2 exhibits delocalized failure and other energy-dissipating fracture mechanisms such as crack branching and bridging. These results demonstrate that 2D polymers can be uniquely tailored to achieve a balance of fracture toughness with mechanical stiffness and strength.

  1. Classical fracture mechanics methods

    International Nuclear Information System (INIS)

    Schwalbe, K.H.; Heerens, J.; Landes, J.D.

    2007-01-01

    Comprehensive Structural Integrity is a reference work which covers all activities involved in the assurance of structural integrity. It provides engineers and scientists with an unparalleled depth of knowledge in the disciplines involved. The new online Volume 11 is dedicated to the mechanical characteristics of materials. This paper contains the chapter 11.02 of this volume and is structured as follows: Test techniques; Analysis; Fracture behavior; Fracture toughness tests for nonmetals

  2. Introduction into technical application of fracture mechanics. 3. rev. ed.

    International Nuclear Information System (INIS)

    Heckel, K.

    1991-01-01

    Technical components made out of metal material are liable to be defective. Cracks are the most dangerous defects. Based on fracture mechanics methods were developed which permit to estimate the proveness of cracks to intrate fracture. The present book is restricted to the standardised methods of fracture mechanics. Theoretical foundations of various concepts aspect under the fracture mechanics are given. Experimental methods of determining material characteristics of fracture mechanics are explained in detail as a profound knowledge of testing criteria is necessary in order to be able to a characteristic to a component. This book contains the latest level of standardised methods of fracture mechanics. It is meant for advanced students and engineers working in practice. Some fully calculated examples are used as an introduction into the thinking of fracture mechanics. (orig./MM) [de

  3. Passing waves from atomistic to continuum

    Science.gov (United States)

    Chen, Xiang; Diaz, Adrian; Xiong, Liming; McDowell, David L.; Chen, Youping

    2018-02-01

    Progress in the development of coupled atomistic-continuum methods for simulations of critical dynamic material behavior has been hampered by a spurious wave reflection problem at the atomistic-continuum interface. This problem is mainly caused by the difference in material descriptions between the atomistic and continuum models, which results in a mismatch in phonon dispersion relations. In this work, we introduce a new method based on atomistic dynamics of lattice coupled with a concurrent atomistic-continuum method to enable a full phonon representation in the continuum description. This permits the passage of short-wavelength, high-frequency phonon waves from the atomistic to continuum regions. The benchmark examples presented in this work demonstrate that the new scheme enables the passage of all allowable phonons through the atomistic-continuum interface; it also preserves the wave coherency and energy conservation after phonons transport across multiple atomistic-continuum interfaces. This work is the first step towards developing a concurrent atomistic-continuum simulation tool for non-equilibrium phonon-mediated thermal transport in materials with microstructural complexity.

  4. The hydro-mechanical modeling of the fractured media; Modelisation hydromecanique des milieux fractures

    Energy Technology Data Exchange (ETDEWEB)

    Kadiri, I

    2002-10-15

    The hydro-mechanical modeling of the fractured media is quite complex. Simplifications are necessary for the modeling of such media, but, not always justified, Only permeable fractures are often considered. The rest of the network is approximated by an equivalent continuous medium. Even if we suppose that this approach is validated, the hydraulic and mechanical properties of the fractures and of the continuous medium are seldom known. Calibrations are necessary for the determination of these properties. Until now, one does not know very well the nature of measurements which must be carried out in order to carry on a modeling in discontinuous medium, nor elements of enough robust validation for this kind of modeling. For a better understanding of the hydro-mechanical phenomena in fractured media, two different sites have been selected for the work. The first is the site of Grimsel in Switzerland in which an underground laboratory is located at approximately 400 m of depth. The FEBEX experiment aims at the in-situ study of the consecutive phenomena due to the installation of a heat source representative of radioactive waste in the last 17 meters of the FEBEX tunnel in the laboratory of Grimsel. Only, the modeling of the hydro-mechanical of the excavation was model. The modeling of the Febex enabled us to establish a methodology of calibration of the hydraulic properties in the discontinuous media. However, this kind of study on such complex sites does not make possible to answer all the questions which arise on the hydro-mechanical behavior of the fractured media. We thus carried out modeling on an other site, smaller than the fist one and more accessible. The experimental site of Coaraze, in the Maritime Alps, is mainly constituted of limestone and fractures. Then the variation of water pressure along fractures is governed by the opening/closure sequence of a water gate. Normal displacement as well as the pore pressure along these fractures are recorded, and then

  5. Physical fracture properties (fracture surfaces as information sources; crackgrowth and fracture mechanisms; exemples of cracks)

    International Nuclear Information System (INIS)

    Meny, Lucienne.

    1979-06-01

    Fracture surfaces are considered as a useful source of informations: an introduction to fractography is presented; the fracture surface may be observed through X ray microanalysis, and other physical methods such as Auger electron spectroscopy or secundary ion emission. The mechanisms of macroscopic and microscopic crackgrowth and fracture are described, in the case of unstable fracture (cleavage, ductile with shear, intergranular brittleness) and of progressive crack propagation (creep, fatigue). Exemples of cracks are presented in the last chapter [fr

  6. Atomistic Modeling of Corrosion Events at the Interface between a Metal and Its Environment

    Directory of Open Access Journals (Sweden)

    Christopher D. Taylor

    2012-01-01

    Full Text Available Atomistic simulation is a powerful tool for probing the structure and properties of materials and the nature of chemical reactions. Corrosion is a complex process that involves chemical reactions occurring at the interface between a material and its environment and is, therefore, highly suited to study by atomistic modeling techniques. In this paper, the complex nature of corrosion processes and mechanisms is briefly reviewed. Various atomistic methods for exploring corrosion mechanisms are then described, and recent applications in the literature surveyed. Several instances of the application of atomistic modeling to corrosion science are then reviewed in detail, including studies of the metal-water interface, the reaction of water on electrified metallic interfaces, the dissolution of metal atoms from metallic surfaces, and the role of competitive adsorption in controlling the chemical nature and structure of a metallic surface. Some perspectives are then given concerning the future of atomistic modeling in the field of corrosion science.

  7. Intermetallic alloys: Deformation, mechanical and fracture behaviour

    International Nuclear Information System (INIS)

    Dogan, B.

    1988-01-01

    The state of the art in intermetallic alloys development with particular emphasis on deformation, mechanical and fracture behaviour is documented. This review paper is prepared to lay the ground stones for a future work on mechanical property characterization and fracture behaviour of intermetallic alloys at GKSS. (orig.)

  8. The radiation swelling effect on fracture properties and fracture mechanisms of irradiated austenitic steels. Part I. Ductility and fracture toughness

    Energy Technology Data Exchange (ETDEWEB)

    Margolin, B., E-mail: mail@crism.ru; Sorokin, A.; Shvetsova, V.; Minkin, A.; Potapova, V.; Smirnov, V.

    2016-11-15

    The radiation swelling effect on the fracture properties of irradiated austenitic steels under static loading has been studied and analyzed from the mechanical and physical viewpoints. Experimental data on the stress-strain curves, fracture strain, fracture toughness and fracture mechanisms have been represented for austenitic steel of 18Cr-10Ni-Ti grade (Russian analog of AISI 321 steel) irradiated up to neutron dose of 150 dpa with various swelling. Some phenomena in mechanical behaviour of irradiated austenitic steels have been revealed and explained as follows: a sharp decrease of fracture toughness with swelling growth; untypical large increase of fracture toughness with decrease of the test temperature; some increase of fracture toughness after preliminary cyclic loading. Role of channel deformation and channel fracture has been clarified in the properties of irradiated austenitic steel and different tendencies to channel deformation have been shown and explained for the same austenitic steel irradiated at different temperatures and neutron doses.

  9. Dependence of fracture mechanical and fluid flow properties on fracture roughness and sample size

    International Nuclear Information System (INIS)

    Tsang, Y.W.; Witherspoon, P.A.

    1983-01-01

    A parameter study has been carried out to investigate the interdependence of mechanical and fluid flow properties of fractures with fracture roughness and sample size. A rough fracture can be defined mathematically in terms of its aperture density distribution. Correlations were found between the shapes of the aperture density distribution function and the specific fractures of the stress-strain behavior and fluid flow characteristics. Well-matched fractures had peaked aperture distributions that resulted in very nonlinear stress-strain behavior. With an increasing degree of mismatching between the top and bottom of a fracture, the aperture density distribution broadened and the nonlinearity of the stress-strain behavior became less accentuated. The different aperture density distributions also gave rise to qualitatively different fluid flow behavior. Findings from this investigation make it possible to estimate the stress-strain and fluid flow behavior when the roughness characteristics of the fracture are known and, conversely, to estimate the fracture roughness from an examination of the hydraulic and mechanical data. Results from this study showed that both the mechanical and hydraulic properties of the fracture are controlled by the large-scale roughness of the joint surface. This suggests that when the stress-flow behavior of a fracture is being investigated, the size of the rock sample should be larger than the typical wave length of the roughness undulations

  10. Probabilistic application of fracture mechanics

    International Nuclear Information System (INIS)

    Dufresne, J.

    1981-04-01

    The different methods used to evaluate the rupture probability of a pressure vessel are reviewed. Data collection and processing of all parameters necessary for fracture mechanics evaluation are presented with particular attention to the size distribution of defects in actual vessels. Physical process is followed during crack growth and unstable propagation, using LEFM (Linear Elastic Fracture Mechanism) and plastic instability. Results show that the final failure probability for a PWR pressure vessel is 3.5 10 -8 , and is due essentially to LOCAs for any break size. The weakest point is the internal side of the belt line

  11. Understanding the origin of the fracture toughness evolution of nuclear glasses under irradiation

    International Nuclear Information System (INIS)

    Kieu, L.-H.

    2011-01-01

    In the nuclear industry, complex borosilicate glasses are used for the confinement of fission products and long-life minor actinides. Under irradiations, the structure and the mechanical properties of these glasses evolve. In this work, atomistic and multi-scale simulations of three simplified borosilicate glasses were run to understand the origin of their fracture behavior change under irradiation. Under the radiation effects, elasticity decreases and plasticity increases. Fracture happens due to the formation and coalescence of nano-cavities. The structural modifications under the radiation effects lead to a delay of the coalescence and of the irradiated glass rupture. Several phenomena overlay to explain this behavior, especially the cavities distribution modifications, the sodium mobility, and the borate and silicate entities organization in the glassy network. Depending on the nature of the more important mechanism, the fracture toughness can increase or decrease under radiation. (author) [fr

  12. Japanese round robin analysis for probabilistic fracture mechanics

    International Nuclear Information System (INIS)

    Yagawa, G.; Yoshimura, S.; Handa, N.

    1991-01-01

    Recently attention is focused on the probabilistic fracture mechanics, a branch of fracture mechanics with probability theory for a rational mean to assess the strength of components and structures. In particular, the probabilistic fracture mechanics is recognized as the powerful means for quantitative investigation of significance of factors and rational evaluation of life on problems involving a number of uncertainties, such as degradation of material strength, accuracy and frequency of inspection. Comparison with reference experiments are generally employed to assure the analytical accuracy. However, accuracy and reliability of analytical methods in the probabilistic fracture mechanics are hardly verified by experiments. Therefore, it is strongly needed to verify the probabilistic fracture mechanics through the round robin analysis. This paper describes results from the round robin analysis of flat plate with semi-elliptic cracks on the surface, conducted by the PFM Working Group of LE Subcommittee of the Japan Welding Society under the contract of the Japan Atomic Energy Research Institute and participated by Tokyo University, Yokohama National University, the Power Reactor and Nuclear Fuel Corporation, Tokyo Electric Power Co. Central Research Institute of Electric Power Industry, Toshiba Corporation, Kawasaki Heavy Industry Co. and Mitsubishi Heavy Industry Co. (author)

  13. Primer: Fracture mechanics in the nuclear power industry

    International Nuclear Information System (INIS)

    Wessel, E.T.; Server, W.L.; Kennedy, E.L.

    1990-01-01

    This Primer is intended to familiarize utility engineers with the fracture mechanics technology and to provide the basis for a working knowledge of the subject. It is directed towards all the engineering disciplines that are involved either directly or indirectly with the structural reliability of electrical power generation equipment and systems. These engineering disciplines include such areas as: design and stress analysis, metallurgy and materials, nondestructive inspection and quality control, structural analysis and reliability engineering, chemical engineering and water chemistry control, and architectural engineering. This Primer does not provide a comprehensive, in-depth treatment of all the detailed aspects involved in fracture mechanics. It does, however, provide sufficient information and a common vocabulary that should enable engineers to: read and converse intelligently about the subject, understand and utilize ASME Codes and Regulatory Guides involving fracture mechanics, absorb technical information presented and discussed at various technical meetings, and begin to apply this technology towards actual engineering problems encountered in the course of their work. Example problems are provided to further enhance an understanding of fracture mechanics. Also, Appendix A describes fracture mechanics computer codes available through EPRI to analyze rotors, reactor pressure vessels and piping

  14. The hydro-mechanical modeling of the fractured media

    International Nuclear Information System (INIS)

    Kadiri, I.

    2002-10-01

    The hydro-mechanical modeling of the fractured media is quite complex. Simplifications are necessary for the modeling of such media, but, not always justified, Only permeable fractures are often considered. The rest of the network is approximated by an equivalent continuous medium. Even if we suppose that this approach is validated, the hydraulic and mechanical properties of the fractures and of the continuous medium are seldom known. Calibrations are necessary for the determination of these properties. Until now, one does not know very well the nature of measurements which must be carried out in order to carry on a modeling in discontinuous medium, nor elements of enough robust validation for this kind of modeling. For a better understanding of the hydro-mechanical phenomena in fractured media, two different sites have been selected for the work. The first is the site of Grimsel in Switzerland in which an underground laboratory is located at approximately 400 m of depth. The FEBEX experiment aims at the in-situ study of the consecutive phenomena due to the installation of a heat source representative of radioactive waste in the last 17 meters of the FEBEX tunnel in the laboratory of Grimsel. Only, the modeling of the hydro-mechanical of the excavation was model. The modeling of the Febex enabled us to establish a methodology of calibration of the hydraulic properties in the discontinuous media. However, this kind of study on such complex sites does not make possible to answer all the questions which arise on the hydro-mechanical behavior of the fractured media. We thus carried out modeling on an other site, smaller than the fist one and more accessible. The experimental site of Coaraze, in the Maritime Alps, is mainly constituted of limestone and fractures. Then the variation of water pressure along fractures is governed by the opening/closure sequence of a water gate. Normal displacement as well as the pore pressure along these fractures are recorded, and then

  15. Elevated temperature fracture mechanics

    International Nuclear Information System (INIS)

    Tomkins, B.

    1979-01-01

    The application of fracture mechanics concepts to cracks at elevated temperatures is examined. Particular consideration is given to the characterisation of crack tip stress-strain fields and parameters controlling crack extension under static and cyclic loads. (author)

  16. Mechanical Integrity of Canisters Using a Fracture Mechanics Approach

    Energy Technology Data Exchange (ETDEWEB)

    Koyama, Tomofumi; Guoxiang Zhang; Lanru Jing [Royal Inst. of Technology, Stockholm (Sweden). Dept. of Land and Water Resources Engineering

    2006-07-15

    This report presents the methods and results of a research project about numerical modeling of mechanical integrity of cast-iron canisters for the final disposal of spent nuclear fuel in Sweden, using combined boundary element (BEM) and finite element (FEM) methods. The objectives of the project are: 1) to investigate the possibility of initiation and growth of fractures in the cast-iron canisters under the mechanical loading conditions defined in the premises of canister design by Swedish Nuclear Fuel and Waste Management Co. (SKB); 2) to investigate the maximum bearing capacity of the cast iron canisters under uniformly distributed and gradually increasing boundary pressure until plastic failure. Achievement of the two objectives may provide some quantitative evidence for the mechanical integrity and overall safety of the cast-iron canisters that are needed for the final safety assessment of the geological repository of the radioactive waste repository in Sweden. The geometrical dimension, distribution and magnitudes of loads and Material properties of the canisters and possible fractures were provided by the latest investigations of SKB. The results of the BEM simulations, using the commercial code BEASY, indicate that under the currently defined loading conditions the possibility of initiation of new fractures or growth of existing fractures (defects) are very small, due to the reasons that: 1) the canisters are under mainly compressive stresses; 2) the induced tensile stress regions are too small in both dimension and magnitude to create new fractures or to induce growth of existing fractures, besides the fact that the toughness of the fractures in the cast iron canisters are much higher that the stress intensity factors in the fracture tips. The results of the FEM simulation show a approximately 75 MPa maximum pressure beyond which plastic collapse of the cast-iron canisters may occur, using an elastoplastic Material model. This figure is smaller compared

  17. Fracture mechanisms and fracture control in composite structures

    Science.gov (United States)

    Kim, Wone-Chul

    Four basic failure modes--delamination, delamination buckling of composite sandwich panels, first-ply failure in cross-ply laminates, and compression failure--are analyzed using linear elastic fracture mechanics (LEFM) and the J-integral method. Structural failures, including those at the micromechanical level, are investigated with the aid of the models developed, and the critical strains for crack propagation for each mode are obtained. In the structural fracture analyses area, the fracture control schemes for delamination in a composite rib stiffener and delamination buckling in composite sandwich panels subjected to in-plane compression are determined. The critical fracture strains were predicted with the aid of LEFM for delamination and the J-integral method for delamination buckling. The use of toughened matrix systems has been recommended for improved damage tolerant design for delamination crack propagation. An experimental study was conducted to determine the onset of delamination buckling in composite sandwich panel containing flaws. The critical fracture loads computed using the proposed theoretical model and a numerical computational scheme closely followed the experimental measurements made on sandwich panel specimens of graphite/epoxy faceskins and aluminum honeycomb core with varying faceskin thicknesses and core sizes. Micromechanical models of fracture in composites are explored to predict transverse cracking of cross-ply laminates and compression fracture of unidirectional composites. A modified shear lag model which takes into account the important role of interlaminar shear zones between the 0 degree and 90 degree piles in cross-ply laminate is proposed and criteria for transverse cracking have been developed. For compressive failure of unidirectional composites, pre-existing defects play an important role. Using anisotropic elasticity, the stress state around a defect under a remotely applied compressive load is obtained. The experimentally

  18. Impact of Injury Mechanisms on Patterns and Management of Facial Fractures.

    Science.gov (United States)

    Greathouse, S Travis; Adkinson, Joshua M; Garza, Ramon; Gilstrap, Jarom; Miller, Nathan F; Eid, Sherrine M; Murphy, Robert X

    2015-07-01

    Mechanisms causing facial fractures have evolved over time and may be predictive of the types of injuries sustained. The objective of this study is to examine the impact of mechanisms of injury on the type and management of facial fractures at our Level 1 Trauma Center. The authors performed an Institutional Review Board-approved review of our network's trauma registry from 2006 to 2010, documenting age, sex, mechanism, Injury Severity Score, Glasgow Coma Scale, facial fracture patterns (nasal, maxillary/malar, orbital, mandible), and reconstructions. Mechanism rates were compared using a Pearson χ2 test. The database identified 23,318 patients, including 1686 patients with facial fractures and a subset of 1505 patients sustaining 2094 fractures by motor vehicle collision (MVC), fall, or assault. Nasal fractures were the most common injuries sustained by all mechanisms. MVCs were most likely to cause nasal and malar/maxillary fractures (P management. Age and number of fractures sustained were associated with operative intervention. Although there is a statistically significant correlation between mechanism of injury and type of facial fracture sustained, none of the mechanisms evaluated herein are statistically associated with surgical intervention. Clinical Question/Level of Evidence: Therapeutic, III.

  19. Thermo-hydro-mechanical behavior of fractured rock mass

    International Nuclear Information System (INIS)

    Coste, F.

    1997-12-01

    The purpose of this research is to model Thermo-Hydro-Mechanical behavior of fractured rock mass regarding a nuclear waste re-depository. For this, a methodology of modeling was proposed and was applied to a real underground site (EDF site at Nouvelle Romanche). This methodology consists, in a first step, to determine hydraulic and mechanical REV. Beyond the greatest of these REV, development of a finite element code allows to model all the fractures in an explicit manner. The homogenized mechanical properties are determined in drained and undrained boundary conditions by simulating triaxial tests that represent rock mass subject to loading. These simulations allow to study the evolution of hydraulic and mechanical properties as a function of stress state. Drained and undrained boundary conditions enable to discuss the validity of assimilation of a fractured rock mass to a porous medium. The simulations lead to a better understanding of the behavior of the fractured rock masses and allow to show the dominant role of the shear behavior of the fractures on the hydraulic and mechanical homogenized properties. From a thermal point of view, as long as conduction is dominant, thermal properties of the rock mass are almost the same as those the intact rock. (author)

  20. Fracture mechanics of ceramics. Vol. 8. Microstructure, methods, design, and fatigue

    International Nuclear Information System (INIS)

    Bradt, R.C.; Evans, A.G.; Hasselman, D.P.H.; Lange, F.F.

    1986-01-01

    This paper presents information on the following topics: fracture mechanics and microstructures; non-lubricated sliding wear of Al 2 O 3 , PSZ and SiC; mixed-mode fracture of ceramics; some fracture properties of alumina-containing electrical porcelains; transformation toughening in the Al 2 O 3 -Cr 2 O 3 /ZrO 2 -HfO 2 system; strength toughness relationships for transformation toughened ceramics; tensile strength and notch sensitivity of Mg-PSZ; fracture mechanisms in lead zirconate titanate ceramics; loading-unloading techniques for determining fracture parameters of brittle materials utilizing four-point bend, chevron-notched specimens; application of the potential drop technique to the fracture mechanics of ceramics; ceramics-to-metal bonding from a fracture mechanics perspective; observed changes in fracture strength following laser irradiation and ion beam mixing of Ni overlayers on sintered alpha-SiC; crack growth in single-crystal silicon; a fracture mechanics and non-destructive evaluation investigation of the subcritical-fracture process in rock; slow crack growth in sintered silicon nitride; uniaxial tensile fatigue testing of sintered silicon carbide under cyclic temperature change; and effect of surface corrosion on glass fracture

  1. Fracture mechanics of ceramics. Vol. 7

    International Nuclear Information System (INIS)

    Bradt, R.C.; Evans, A.G.; Hasselman, D.P.; Lange, F.F.

    1986-01-01

    This volume, together with volume 8, constitutes the proceedings of an international symposium on the fracture mechanics of ceramics. The topics discussed in this volume include the toughening of ceramics by whisker reinforcement; the mechanical properties of SiCwhisker-reinforced TZP; the fracture of brittle rock and oil shale under dynamic explosive loading; impact damage models of ceramic coatings used in gas turbine and diesel engines; the use of exploratory data analysis for the safety evaluation of structural ceramics; and proof testing methods for the reliability of structural ceramics used in gas turbines

  2. Elastic-plastic fracture mechanics of compact bone

    Science.gov (United States)

    Yan, Jiahau

    Bone is a composite composed mainly of organics, minerals and water. Most studies on the fracture toughness of bone have been conducted at room temperature. Considering that the body temperature of animals is higher than room temperature, and that bone has a high volumetric percentage of organics (generally, 35--50%), the effect of temperature on fracture toughness of bone should be studied. Single-edged V-shaped notched (SEVN) specimens were prepared to measure the fracture toughness of bovine femur and manatee rib in water at 0, 10, 23, 37 and 50°C. The fracture toughness of bovine femur and manatee rib were found to decrease from 7.0 to 4.3 MPa·m1/2 and from 5.5 to 4.1 MPa·m1/2, respectively, over a temperature range of 50°C. The decreases were attributed to inability of the organics to sustain greater stresses at higher temperatures. We studied the effects of water and organics on fracture toughness of bone using water-free and organics-free SEVN specimens at 23°C. Water-free and organics-free specimens were obtained by placing fresh bone specimen in a furnace at different temperatures. Water and organics significantly affected the fracture toughness of bone. Fracture toughness of the water-free specimens was 44.7% (bovine femur) and 32.4% (manatee rib) less than that of fresh-bone specimens. Fracture toughness of the organics-free specimens was 92.7% (bovine femur) and 91.5% (manatee rib) less than that of fresh bone specimens. Linear Elastic Fracture Mechanics (LEFM) is widely used to study bone. However, bone often has small to moderate scale yielding during testing. We used J integral, an elastic-plastic fracture-mechanics parameter, to study the fracture process of bone. The J integral of bovine femur increased from 6.3 KJ/mm2 at 23°C to 6.7 KJ/mm2 at 37°C. Although the fracture toughness of bovine bone decreases as the temperature increases, the J integral results show a contrary trend. The energy spent in advancing the crack beyond the linear

  3. Development of Numerical Analysis Techniques Based on Damage Mechanics and Fracture Mechanics

    International Nuclear Information System (INIS)

    Chang, Yoon Suk; Lee, Dock Jin; Choi, Shin Beom; Kim, Sun Hye; Cho, Doo Ho; Lee, Hyun Boo

    2010-04-01

    The scatter of measured fracture toughness data and transferability problems among different crack configurations as well as geometry and loading conditions are major obstacles for application of fracture mechanics. To address these issues, recently, concerns on the local approach employing reliable micro-mechanical damage models are being increased again in connection with a progress of computational technology. In the present research, as part of development of fracture mechanical evaluation model for material degradation of reactor pressure boundary, several investigations on fracture behaviors were carried out. Especially, a numerical scheme to determine key parameters consisting both cleavage and ductile fracture estimate models was changed efficiently by incorporating a genetic algorithm. Also, with regard to the well-known master curve, newly reported methods such as bimodal master curve, randomly inhomogeneous master curve and single point estimation were reviewed to deal with homogeneous and inhomogeneous material characteristics. A series of preliminary finite element analyses was conducted to examine the element size effect on micro-mechanical models. Then, a new thickness correction equation was derived from parametric three-dimensional numerical simulations, which was founded on the current test standard, ASTM E1921, but could lead to get more realistic fracture toughness values. As a result, promising modified master curves as well as fracture toughness diagrams to convert data between pre-cracked V-notched and compact tension specimens were generated. Moreover, a user-subroutine in relation to GTN(Gurson-Tvergaard-Needleman) model was made by adopting Hill's 48 yield potential theory. By applying GTN model combined with the subroutine to small punch specimens, the effect of inhomogeneous properties on fracture behaviors of miniature specimens was confirmed. Therefore, it is anticipated that the aforementioned enhanced research results can be utilized

  4. Draft fracture mechanics code case for American Society of Mechanical Engineers NUPACK rules

    International Nuclear Information System (INIS)

    McConnell, P.; Sorenson, K.; Nickell, R.; Saegusa, T.

    2004-01-01

    The containment boundaries of most spent-fuel casks certified for use in the United States by the Nuclear Regulatory Commission are constructed with stainless steel, a material that is ductile in an engineering sense at all temperatures and for which, therefore, fracture mechanics principles are not relevant for the containment application. Ferritic materials may fail in a nonductile manner at sufficiently low temperatures, so fracture mechanics principles may be applied to preclude nonductile fracture. Because of the need to transport and store spent nuclear fuel safely in all types of climatic conditions, these vessels have regulatory lowest service temperatures that range down to -40 C (-40 F) for transport application. Such low service temperatures represent a severe challenge in terms of fracture toughness to many ferritic materials. Linear-elastic and elastic-plastic fracture mechanics principles provide a methodology for evaluating ferritic materials under such conditions

  5. Atomistic study of lipid membranes containing chloroform: looking for a lipid-mediated mechanism of anesthesia.

    Directory of Open Access Journals (Sweden)

    Ramon Reigada

    Full Text Available The molecular mechanism of general anesthesia is still a controversial issue. Direct effect by linking of anesthetics to proteins and indirect action on the lipid membrane properties are the two hypotheses in conflict. Atomistic simulations of different lipid membranes subjected to the effect of small volatile organohalogen compounds are used to explore plausible lipid-mediated mechanisms. Simulations of homogeneous membranes reveal that electrostatic potential and lateral pressure transversal profiles are affected differently by chloroform (anesthetic and carbon tetrachloride (non-anesthetic. Simulations of structured membranes that combine ordered and disordered regions show that chloroform molecules accumulate preferentially in highly disordered lipid domains, suggesting that the combination of both lateral and transversal partitioning of chloroform in the cell membrane could be responsible of its anesthetic action.

  6. Finnie's notes on fracture mechanics fundamental and practical lessons

    CERN Document Server

    Dharan, C K H; Finnie, Iain

    2016-01-01

    This textbook consists primarily of notes by Iain Finnie who taught a popular course on fracture mechanics at the University of California at Berkeley. It presents a comprehensive and detailed exposition of fracture, the fundamentals of fracture mechanics and procedures for the safe design of engineering components made from metal alloys, brittle materials like glasses and ceramics, and composites. Interesting and practical problems are listed at the end of most chapters to give the student practice in applying the theory. A solutions manual is provided to the instructor. The text presents a unified perspective of fracture with a strong fundamental foundation and practical applications. In addition to its role as a text, this reference would be invaluable for the practicing engineer who is involved in the design and evaluation of components that are fracture critical. This book also: Presents details of derivations of the basic equations of fracture mechanics and the historical context of the development of f...

  7. Fracture mechanics evaluation of heavy welded structures

    International Nuclear Information System (INIS)

    Sprung, I.; Ericksson, C.W.; Zilberstein, V.A.

    1982-01-01

    This paper describes some applications of nondestructive examination (NDE) and engineering fracture mechanics to evaluation of flaws in heavy welded structures. The paper discusses not only widely recognized linear elastic fracture mechanics (LEFM) analysis, but also methods of the elastic-plastic fracture mechanics (EPFM), such as COD, J-integral, and Failure Assessment Diagram. Examples are given to highlight the importance of interaction between specialists providing input and the specialists performing the analysis. The paper points out that the critical parameters for as-welded structures when calculated by these methods are conservative since they are based on two pessimistic assumptions: that the magnitude of residual stress is always at the yield strength level, and that the residual stress always acts in the same direction as the applied (mechanical) stress. The suggestion is made that it would be prudent to use the COD or the FAD design curves for a conservative design. The appendix examines a J-design curve modified to include residual stresses

  8. Effective Hydro-Mechanical Properties of Fluid-Saturated Fracture Networks

    Science.gov (United States)

    Pollmann, N.; Vinci, C.; Renner, J.; Steeb, H.

    2015-12-01

    Consideration of hydro-mechanical processes is essential for the characterization of liquid-resources as well as for many engineering applications. Furthermore, the modeling of seismic waves in fractured porous media finds application not only in geophysical exploration but also reservoir management. Fractures exhibit high-aspect-ratio geometries, i.e. they constitute thin and long hydraulic conduits. Motivated by this peculiar geometry, the investigation of the hydro-mechanically coupled processes is performed by means of a hybrid-dimensional modeling approach. The effective material behavior of domains including complex fracture patterns in a porous rock is assessed by investigating the fluid pressure and the solid displacement of the skeleton saturated by compressible fluids. Classical balance equations are combined with a Poiseuille-type flow in the dimensionally reduced fracture. In the porous surrounding rock, the classical Biot-theory is applied. For simple geometries, our findings show that two main fluid-flow processes occur, leak-off from fractures to the surrounding rock and fracture flow within and between the connected fractures. The separation of critical frequencies of the two flow processes is not straightforward, in particular for systems containing a large number of fractures. Our aim is to model three dimensional hydro-mechanically coupled processes within complex fracture patterns and in particular determine the frequency-dependent attenuation characteristics. Furthermore, the effect of asperities of the fracture surfaces on the fracture stiffness and on the hydraulic conductivity will be added to the approach.

  9. Role of hydrogen on the incipient crack tip deformation behavior in α-Fe: An atomistic perspective

    Science.gov (United States)

    Adlakha, I.; Solanki, K. N.

    2018-01-01

    A crack tip in α-Fe presents a preferential trap site for hydrogen, and sufficient concentration of hydrogen can change the incipient crack tip deformation response, causing a transition from a ductile to a brittle failure mechanism for inherently ductile alloys. In this work, the effect of hydrogen segregation around the crack tip on deformation in α-Fe was examined using atomistic simulations and the continuum based Rice-Thompson criterion for various modes of fracture (I, II, and III). The presence of a hydrogen rich region ahead of the crack tip was found to cause a decrease in the critical stress intensity factor required for incipient deformation for various crack orientations and modes of fracture examined here. Furthermore, the triaxial stress state ahead of the crack tip was found to play a crucial role in determining the effect of hydrogen on the deformation behavior. Overall, the segregation of hydrogen atoms around the crack tip enhanced both dislocation emission and cleavage behavior suggesting that hydrogen has a dual role during the deformation in α-Fe.

  10. Technical report on micro-mechanical versus conventional modelling in non-linear fracture mechanics

    International Nuclear Information System (INIS)

    2001-07-01

    While conventional fracture mechanics is capable of predicting crack growth behaviour if sufficient experimental observations are available, micro-mechanical modelling can both increase the accuracy of these predictions and model phenomena that are inaccessible by the conventional theory such as the ductile-cleavage temperature transition. A common argument against micro-mechanical modelling is that it is too complicated for use in routine engineering applications. This is both a computational and an educational problem. That micro-mechanical modelling is unnecessarily complicated is certainly true in many situations. The on-going development of micro-mechanical models, computational algorithms and computer speed will however most probably diminish the computational problem rather rapidly. Compare for instance the rate of development of computational methods for structural analysis. Meanwhile micro-mechanical modelling may serve as a tool by which more simplified engineering methods can be validated. The process of receiving a wide acceptance of the new methods is probably much slower. This involves many steps. First the research community must be in reasonable agreement on the methods and their use. Then the methods have to be implemented into computer software and into code procedures. The development and acceptance of conventional fracture mechanics may serve as an historical example of the time required before a new methodology has received a wide usage. The CSNI Working Group on Integrity and Ageing (IAGE) decided to carry out a report on micro-mechanical modeling to promote this promising and valuable technique. The report presents a comparison with non-linear fracture mechanics and highlights key aspects that could lead to a better knowledge and accurate predictions. Content: - 1. Introduction; - 2. Concepts of non-linear fracture mechanics with point crack tip modelling; - 3. Micro-mechanical models for cleavage fracture; - 4, Micro-mechanical modelling of

  11. Numerical methods in dynamic fracture mechanics

    International Nuclear Information System (INIS)

    Beskos, D.E.

    1987-01-01

    A review of numerical methods for the solution of dynamic problems of fracture mechanics is presented. Finite difference, finite element and boundary element methods as applied to linear elastic or viscoelastic and non-linear elastoplastic or elastoviscoplastic dynamic fracture mechanics problems are described and critically evaluated. Both cases of stationary cracks and rapidly propagating cracks of simple I, II, III or mixed modes are considered. Harmonically varying with time or general transient dynamic disturbances in the form of external loading or incident waves are taken into account. Determination of the dynamic stress intensity factor for stationary cracks or moving cracks with known velocity history as well as determination of the crack-tip propagation history for given dynamic fracture toughness versus crack velocity relation are described and illustrated by means of certain representative examples. Finally, a brief assessment of the present state of knowledge is made and research needs are identified

  12. Use of fracture mechanics in the US industry

    Energy Technology Data Exchange (ETDEWEB)

    Landes, J.D. [GKSS-Forschungszentrum Geesthacht GmbH (Germany). Inst. fuer Materialforschung

    2001-07-01

    The modern fracture mechanics technology began in the US in the 1960's. It was developed in response to failure problems that could not be explained by current technology. Some segments of the US industry were quick to embrace this new technology. The period of 1960 to middle 1980's marked a time of active fracture mechanics research in the US industry. From this various codes and assessment procedures have been developed to apply the fracture mechanics approach to evaluate the safety and reliability of critical structural components. This report discusses the US industry use of fracture mechanics. It considers the historical developments, some of the fracture mechanics tools that are available and present practices. Several different industry segments that have used the fracture mechanics approach are considered. These include aerospace, military, power generation, petrochemical and pipelines, metal producers, and construction/transportation. Their current use of the fracture mechanics methods involves the implementation of codes and procedures, the development of software packages, the use of outside consulting groups and some in-house research efforts. (orig.) [German] Die Entwicklung der modernen Bruchmechanik in den USA begann in den 1960er Jahren im Zusammenhang mit einer Reihe von Versagensfaellen, die auf konventionelle Weise nicht erklaert werden konnten. Die neuen Ansaetze wurden von einigen Branchen schnell aufgegriffen und weiterentwickelt. Die Periode von 1960 bis in die Mitte der 1980er Jahre markiert eine Zeit intensiver Forschungsarbeit in der amerikanischen Industrie. Eine Reihe von Codes und Vorschriften zur Bewertung der Sicherheit und Zuverlaessigkeit gefaehrdeter Strukturen hat ihren Ursprung in dieser Zeit. Der vorliegende Aufsatz thematisiert die Anwendung bruchmechanischer Methoden in der Industrie der USA anhand historischer Aspekte, des heute verfuegbaren Instrumentariums der Bauteilbewertung und der gaengigen Praxis bei der

  13. Evaluation of fracture mechanics analyses used in RPV integrity assessment regarding brittle fracture

    International Nuclear Information System (INIS)

    Moinereau, D.; Faidy, C.; Valeta, M.P.; Bhandari, S.; Guichard, D.

    1997-01-01

    Electricite de France has conducted during these last years some experimental and numerical research programmes in order to evaluate fracture mechanics analyses used in nuclear reactor pressure vessels structural integrity assessment, regarding the risk of brittle fracture. These programmes included cleavage fracture tests on large scale cladded specimens containing subclad flaws with their interpretations by 2D and 3D numerical computations, and validation of finite element codes for pressurized thermal shocks analyses. Four cladded specimens made of ferritic steel A508 C13 with stainless steel cladding, and containing shallow subclad flaws, have been tested in four point bending at very low temperature in order to obtain cleavage failure. The specimen failure was obtained in each case in base metal by cleavage fracture. These tests have been interpreted by two-dimensional and three-dimensional finite element computations using different fracture mechanics approaches (elastic analysis with specific plasticity corrections, elastic-plastic analysis, local approach to cleavage fracture). The failure of specimens are conservatively predicted by different analyses. The comparison between the elastic analyses and elastic-plastic analyses shows the conservatism of specific plasticity corrections used in French RPV elastic analyses. Numerous finite element calculations have also been performed between EDF, CEA and Framatome in order to compare and validate several fracture mechanics post processors implemented in finite element programmes used in pressurized thermal shock analyses. This work includes two-dimensional numerical computations on specimens with different geometries and loadings. The comparisons show a rather good agreement on main results, allowing to validate the finite element codes and their post-processors. (author). 11 refs, 24 figs, 3 tabs

  14. Evaluation of fracture mechanics analyses used in RPV integrity assessment regarding brittle fracture

    Energy Technology Data Exchange (ETDEWEB)

    Moinereau, D [Electricite de France, Dept. MTC, Moret-sur-Loing (France); Faidy, C [Electricite de France, SEPTEN, Villeurbanne (France); Valeta, M P [Commisariat a l` Energie Atomique, Dept. DMT, Gif-sur-Yvette (France); Bhandari, S; Guichard, D [Societe Franco-Americaine de Constructions Atomiques (FRAMATOME), 92 - Paris-La-Defense (France)

    1997-09-01

    Electricite de France has conducted during these last years some experimental and numerical research programmes in order to evaluate fracture mechanics analyses used in nuclear reactor pressure vessels structural integrity assessment, regarding the risk of brittle fracture. These programmes included cleavage fracture tests on large scale cladded specimens containing subclad flaws with their interpretations by 2D and 3D numerical computations, and validation of finite element codes for pressurized thermal shocks analyses. Four cladded specimens made of ferritic steel A508 C13 with stainless steel cladding, and containing shallow subclad flaws, have been tested in four point bending at very low temperature in order to obtain cleavage failure. The specimen failure was obtained in each case in base metal by cleavage fracture. These tests have been interpreted by two-dimensional and three-dimensional finite element computations using different fracture mechanics approaches (elastic analysis with specific plasticity corrections, elastic-plastic analysis, local approach to cleavage fracture). The failure of specimens are conservatively predicted by different analyses. The comparison between the elastic analyses and elastic-plastic analyses shows the conservatism of specific plasticity corrections used in French RPV elastic analyses. Numerous finite element calculations have also been performed between EDF, CEA and Framatome in order to compare and validate several fracture mechanics post processors implemented in finite element programmes used in pressurized thermal shock analyses. This work includes two-dimensional numerical computations on specimens with different geometries and loadings. The comparisons show a rather good agreement on main results, allowing to validate the finite element codes and their post-processors. (author). 11 refs, 24 figs, 3 tabs.

  15. Fracture mechanics based life assessment in petrochemical plants

    International Nuclear Information System (INIS)

    Norasiah Ab Kasim; Abd Nassir Ibrahim; Ab Razak Hamzah; Shukri Mohd

    2004-01-01

    The increasing use of thick walled pressure vessels in petrochemical plants operating at high pressure under severe service conditions could lead to catastrophic failure. In the Malaysian Institute for Nuclear Technology Research (MINT), initial efforts are underway to apply fracture mechanics approach for assessment of significance of defects detected during periodic in service inspection (ISI) of industrial plants. This paper outlines the integrity management strategy based on fracture mechanics and proposes a new procedure for life assessment of petrochemical plants based on ASME Boiler and Pressure Vessel Code, Section XI, BSI PD 6493:1991, BSI 6539:1994, BSI Standard 7910:1999 and API 579:2000. Essential relevant data required for the assessment is listed. Several methods available for determination of fracture toughness are reviewed with limitations in their application to petrochemical plants. A new non destructive method for determination of fracture toughness based on hardness testing and normalized key roughness curve is given. Results of fracture mechanics based life assessment conducted for 100 mm thick ammonia converter of Ni r o steel and 70 mm thick plat forming reactor vessel of ASTM A 38 7 grade B steel in operational fertilizer and petroleum refining plants are presented. (Author)

  16. Fatigue and fracture mechanics in pressure vessels and piping. PVP-Volume 304

    International Nuclear Information System (INIS)

    Mehta, H.S.; Wilkowski, G.; Takezono, S.; Bloom, J.; Yoon, K.; Aoki, S.; Rahman, S.; Nakamura, T.; Brust, F.; Yoshimura, S.

    1995-01-01

    Fracture mechanics and fatigue evaluations are an important part of the structural integrity analyses to assure safe operation of pressure vessels and piping components during their service life. The paper presented in this volume illustrate the application of fatigue and fracture mechanics techniques to assess the structural integrity of a wide variety of Pressure Vessels and Piping components. The papers are organized in six sections: (1) fatigue and fracture--vessels; (2) fatigue and fracture--piping; (3) fatigue and fracture--material property evaluations; (4) constraint effects in fracture mechanics; (5) probabilistic fracture mechanics analyses; and (6) user's experience with failure assessment diagrams. Separate abstracts were prepared for most of the papers in this book

  17. Fracture mechanism of a dispersion-hardened molybdenum alloy with strong structural interfaces

    International Nuclear Information System (INIS)

    Vasil'ev, A.D.; Malashenko, I.S.; Moiseev, V.F.; Pechkovskij, Eh.P.; Sul'zhenko, V.K.; Trefilov, V.I.; AN Ukrainskoj SSR, Kiev. Inst. Ehlektrosvarki)

    1978-01-01

    Fracture mechanism in the two-phase Mo-15wt.%Nb-3.5 vol.% TiN alloy known to be of ''brittle matrix-strong interfaces'' type has been investigated depending on tensile test temperature. Several temperature intervals of fracture have been found, each of them having its own peculiarities. A scheme is suggested for fracture mechanism changes in dispersion-hardened alloys with strong interfaces. At low test temperatures brittle cleavage fracture takes place. With temperature increase fracture mechanisms change in the following way: brittle intergranular fracture; fracture of ''microvoid coalescence'' type; fracture typical for reinforced materials with ductile matrix; intergran laru fracture. Particles of strengthening phase have been shown to play different roles depending on the test temperature in the fracture of the alloys studied

  18. Compression deformation of WC: atomistic description of hard ceramic material

    Science.gov (United States)

    Feng, Qing; Song, Xiaoyan; Liu, Xuemei; Liang, Shuhua; Wang, Haibin; Nie, Zuoren

    2017-11-01

    The deformation characteristics of WC, as a typical hard ceramic material, were studied on the nanoscale using atomistic simulations for both the single-crystal and polycrystalline forms under uniaxial compression. In particular, the effects of crystallographic orientation, grain boundary coordination and grain size on the origin of deformation were investigated. The deformation behavior of the single-crystal and polycrystalline WC both depend strongly on the orientation towards the loading direction. The grain boundaries play a significant role in the deformation coordination and the potential high fracture toughness of the nanocrystalline WC. In contrast to conventional knowledge of ceramics, maximum strength was obtained at a critical grain size corresponding to the turning point from a Hall-Petch to an inverse Hall-Petch relationship. For this the mechanism of the combined effect of dislocation motion within grains and the coordination of stress concentration at the grain boundaries were proposed. The present work has moved forward our understanding of plastic deformability and the possibility of achieving a high strength of nanocrystalline ceramic materials.

  19. Fracture mechanics behaviour of neutron irradiated Alloy A-286

    International Nuclear Information System (INIS)

    Mills, W.J.; James, L.A.

    The effect of fast-neutron irradiation on the fatigue-crack propagation and fracture toughness behaviour of Alloy A-286 was characterized using fracture mechanics techniques. The fracture toughness was found to decrease continuously with increasing irradiation damage at both 24 deg. C and 427 deg. C. In the unirradiated and low fluence conditions, specimens displayed appreciable plasticity prior to fracture, and equivalent Ksub(Ic) values were determined from Jsub(Ic) fracture toughness results. At high irradiation exposure levels, specimens exhibited a brittle Ksub(Ic) fracture mode. The 427 deg. C fracture toughness fell from 129 MPa√m in the unirradiated condition to 35 MPa√m at an exposure of 16.2 dpa (total fluence of 5.2x10 22 n/cm 2 ). Room temperature fracture toughness values were consistently 40 to 60 percent higher than the 427 deg. C values. Electron fractography revealed that the reduction in fracture resistance was attributed to a fracture mechanism transition from ductile microvoid coalescence to channel fracture. Fatigue-crack propagation tests were conducted at 427 deg. C on specimens irradiated at 2.4 dpa and 16.2 dpa. Crack growth rates at the lower exposure level were comparable to those in unirradiated material, while those at the higher exposure were slightly higher than in unirradiated material. (author)

  20. Multi-Scale Modelling of Deformation and Fracture in a Biomimetic Apatite-Protein Composite: Molecular-Scale Processes Lead to Resilience at the μm-Scale.

    Directory of Open Access Journals (Sweden)

    Dirk Zahn

    Full Text Available Fracture mechanisms of an enamel-like hydroxyapatite-collagen composite model are elaborated by means of molecular and coarse-grained dynamics simulation. Using fully atomistic models, we uncover molecular-scale plastic deformation and fracture processes initiated at the organic-inorganic interface. Furthermore, coarse-grained models are developed to investigate fracture patterns at the μm-scale. At the meso-scale, micro-fractures are shown to reduce local stress and thus prevent material failure after loading beyond the elastic limit. On the basis of our multi-scale simulation approach, we provide a molecular scale rationalization of this phenomenon, which seems key to the resilience of hierarchical biominerals, including teeth and bone.

  1. Probabilistic finite elements for fracture mechanics

    Science.gov (United States)

    Besterfield, Glen

    1988-01-01

    The probabilistic finite element method (PFEM) is developed for probabilistic fracture mechanics (PFM). A finite element which has the near crack-tip singular strain embedded in the element is used. Probabilistic distributions, such as expectation, covariance and correlation stress intensity factors, are calculated for random load, random material and random crack length. The method is computationally quite efficient and can be expected to determine the probability of fracture or reliability.

  2. Fracture Mechanics Prediction of Fatigue Life of Aluminum Highway Bridges

    DEFF Research Database (Denmark)

    Rom, Søren; Agerskov, Henning

    2015-01-01

    Fracture mechanics prediction of the fatigue life of aluminum highway bridges under random loading is studied. The fatigue life of welded joints has been determined from fracture mechanics analyses and the results obtained have been compared with results from experimental investigations. The fati......Fracture mechanics prediction of the fatigue life of aluminum highway bridges under random loading is studied. The fatigue life of welded joints has been determined from fracture mechanics analyses and the results obtained have been compared with results from experimental investigations...... against fatigue in aluminum bridges, may give results which are unconservative. Furthermore, it was in both investigations found that the validity of the results obtained from Miner's rule will depend on the distribution of the load history in tension and compression....

  3. Fracture mechanics of concrete : Will applications start to emerge?

    NARCIS (Netherlands)

    Van Mier, J.G.M.

    1995-01-01

    Fracture mechanics of concrete has developed into an active field of research in the past decades. It promises a rational solution technique to structural problems in reinforced concrete in the limit state. Numerical tools have been developed on the basis of fracture mechanics theories. The question

  4. Application of simulation techniques in the probabilistic fracture mechanics

    International Nuclear Information System (INIS)

    De Ruyter van Steveninck, J.L.

    1995-03-01

    The Monte Carlo simulation is applied on a model of the fracture mechanics in order to assess the applicability of this simulation technique in the probabilistic fracture mechanics. By means of the fracture mechanics model the brittle fracture of a steel container or pipe with defects can be predicted. By means of the Monte Carlo simulation also the uncertainty regarding failures can be determined. Based on the variations in the toughness of the fracture and the defect dimensions the distribution of the chance of failure is determined. Also attention is paid to the impact of dependency between uncertain variables. Furthermore, the influence of the applied distributions of the uncertain variables and non-destructive survey on the chance of failure is analyzed. The Monte Carlo simulation results agree quite well with the results of other methods from the probabilistic fracture mechanics. If an analytic expression can be found for the chance of failure, it is possible to determine the variation of the chance of failure, next to an estimation of the chance of failure. It also appears that the dependency between the uncertain variables has a large impact on the chance of failure. It is also concluded from the simulation that the chance of failure strongly depends on the crack depth, and therefore of the distribution of the crack depth. 15 figs., 7 tabs., 12 refs

  5. Fracture mechanics and parapsychology

    Science.gov (United States)

    Cherepanov, G. P.

    2010-08-01

    The problem of postcritical deformation of materials beyond the ultimate strength is considered a division of fracture mechanics. A simple example is used to show the relationship between this problem and parapsychology, which studies phenomena and processes where the causality principle fails. It is shown that the concept of postcritical deformation leads to problems with no solution

  6. In situ observations of the atomistic mechanisms of Ni catalyzed low temperature graphene growth.

    Science.gov (United States)

    Patera, Laerte L; Africh, Cristina; Weatherup, Robert S; Blume, Raoul; Bhardwaj, Sunil; Castellarin-Cudia, Carla; Knop-Gericke, Axel; Schloegl, Robert; Comelli, Giovanni; Hofmann, Stephan; Cepek, Cinzia

    2013-09-24

    The key atomistic mechanisms of graphene formation on Ni for technologically relevant hydrocarbon exposures below 600 °C are directly revealed via complementary in situ scanning tunneling microscopy and X-ray photoelectron spectroscopy. For clean Ni(111) below 500 °C, two different surface carbide (Ni2C) conversion mechanisms are dominant which both yield epitaxial graphene, whereas above 500 °C, graphene predominantly grows directly on Ni(111) via replacement mechanisms leading to embedded epitaxial and/or rotated graphene domains. Upon cooling, additional carbon structures form exclusively underneath rotated graphene domains. The dominant graphene growth mechanism also critically depends on the near-surface carbon concentration and hence is intimately linked to the full history of the catalyst and all possible sources of contamination. The detailed XPS fingerprinting of these processes allows a direct link to high pressure XPS measurements of a wide range of growth conditions, including polycrystalline Ni catalysts and recipes commonly used in industrial reactors for graphene and carbon nanotube CVD. This enables an unambiguous and consistent interpretation of prior literature and an assessment of how the quality/structure of as-grown carbon nanostructures relates to the growth modes.

  7. The fluid mechanics of channel fracturing flows: experiment

    Science.gov (United States)

    Rashedi, Ahmadreza; Tucker, Zachery; Ovarlez, Guillaume; Hormozi, Sarah

    2017-11-01

    We show our preliminary experimental results on the role of fluid mechanics in channel fracturing flows, particularly yield stress fracturing fluids. Recent trends in the oil industry have included the use of cyclic pumping of a proppant slurry interspersed with a yield stress fracturing fluid, which is found to increase wells productivity, if particles disperse in a certain fashion. Our experimental study aims to investigate the physical mechanisms responsible for dispersing the particles (proppant) within a yield stress carrier fluid, and to measure the dispersion of proppant slugs in various fracturing regimes. To this end we have designed and built a unique experimental setup that resembles a fracture configuration coupled with a particle image/tracking velocimetry setup operating at micro to macro dimensions. Moreover, we have designed optically engineered suspensions of complex fluids with tunable yield stress and consistency, well controlled density match-mismatch properties and refractive indices for both X-rays and visible lights. We present our experimental system and preliminary results. NSF (Grant No. CBET-1554044- CAREER), ACS PRF (Grant No. 55661-DNI9).

  8. Fracture mechanics as judgement criterion in reference publications

    International Nuclear Information System (INIS)

    Bartholome, G.

    1976-01-01

    Fracture mechanics is applied in particular in ship and aeroplane construction, in astronautics, and in nuclear engineering. Around 1950, the high quality demands in nuclear engineering led to the first regulation for brittle-fracture-safe operation of thick-walled nuclear pressure vessels. These regulations are based on the brittle-fracture-plan (NDT concept). For reactor engineering this plan is applied in a simplified way, the so-called modified PORSE-diagram. The permissible operational stresses must be out of the range of brittle fracture margin which is defined by the NDT temperature extension limit. (RW) [de

  9. Statistical fracture mechanics approach to the strength of brittle rock

    International Nuclear Information System (INIS)

    Ratigan, J.L.

    1981-06-01

    Statistical fracture mechanics concepts used in the past for rock are critically reviewed and modifications are proposed which are warranted by (1) increased understanding of fracture provided by modern fracture mechanics and (2) laboratory test data both from the literature and from this research. Over 600 direct and indirect tension tests have been performed on three different rock types; Stripa Granite, Sierra White Granite and Carrara Marble. In several instances assumptions which are common in the literature were found to be invalid. A three parameter statistical fracture mechanics model with Mode I critical strain energy release rate as the variant is presented. Methodologies for evaluating the parameters in this model as well as the more commonly employed two parameter models are discussed. The experimental results and analysis of this research indicate that surfacially distributed flaws, rather than volumetrically distributed flaws are responsible for rupture in many testing situations. For several of the rock types tested, anisotropy (both in apparent tensile strength and size effect) precludes the use of contemporary statistical fracture mechanics models

  10. Probabilistic fracture mechanics analysis of reactor vessels with low upper-shelf fracture toughness

    International Nuclear Information System (INIS)

    Yoon, K.K.

    1993-01-01

    A class of submerged-arc welds used in fabricating early reactor vessels has relatively high copper contents. Studies have shown that when such vessels are irradiated, the copper contributes to lowering the Charpy upper-shelf energy level. To address this concern, 10CFR50, Appendix G requires a fracture mechanics analysis to demonstrate an adequate margin of safety for continued service. The B and W Owners Group (B and WOG) has been accumulating J-resistance fracture toughness data for these weld metals. Based on a mathematical model derived from this B and WOG data base, the first Appendix G analysis was performed. Another important issue affecting reactor vessel integrity is pressurized thermal shock (PIS) transients. In the early 1980s, probabilistic fracture mechanics analyses were performed on a reactor vessel to determine the probability of failure under postulated accident scenarios. Results of such analyses were used by the Nuclear Regulatory Commission (NRC) to establish the screening criteria for assessing reactor vessel integrity under PTS transient loads. This paper addresses the effect of low upper-shelf toughness on the probability of failure of reactor vessels under PTS loads. Probabilistic fracture mechanics codes were modified to include the low upper-shelf toughness model used in a reference and a series of analyses was performed using plant-specific material conditions and realistic PTS scenarios. The results indicate that low upper-shelf toughness has an insignificant effect on the probability of reactor vessel failures. This is mostly due to PTS transients being susceptible to crack initiation at low temperatures and not affected by upper-shelf fracture toughness

  11. Test techniques for fracture mechanics testing

    International Nuclear Information System (INIS)

    Schwalbe, K.H.

    1980-01-01

    Test methods for fracture mechanics tests are described. Two groups of techniques are distinguished: Those for measurement of stable crack growth and those for determination of the loading parameters. (orig.) [de

  12. Early Age Fracture Mechanics and Cracking of Concrete

    DEFF Research Database (Denmark)

    Østergaard, Lennart

    2003-01-01

    . The reasons are the increased autogenous deformation, the high rate of heat evolution and a higher brittleness of these concretes. Due to these adverse mechanisms the interest in the full description of the behavior of early age concrete has increased dramatically in the last two or three decades. Almost all...... the fictitious crack model and the aim has been experimentally to determine the fracture mechanical properties related to this model. The results provide interesting and important insight into the development of the fracture properties in early age. It is found that the characteristic length has moments of low...... values in early age, which means that the cracking sensibility is higher at those time points. The possible influence of time-dependent effects in the fracture mechanical properties on the cracking behavior in early age has also been investigated. The reason for this has been the known fact...

  13. Fracture mechanisms in lead zirconate titanate ceramics

    International Nuclear Information System (INIS)

    Freiman, S.W.; Chuck, L.; Mecholsky, J.J.; Shelleman, D.L.

    1986-01-01

    Lead Zirconate Titanate (PZT) ceramics can be formed over a wide range of PbTiO 3 /PbZrO 3 ratios and exist in a number of crystal structures. This study involved the use of various fracture mechanics techniques to determine critical fracture toughness, K /SUB IC/ , as a function of composition, microstructure, temperature, and electrical and thermal history. The results of these experiments indicate that variations in K /SUB IC/ are related to phase transformations in the material as well as to other toughening mechanisms such as twinning and microcracking. In addition, the strength and fracture toughness of selected PZT ceramics were determined using specimens in which a crack was introduced by a Vicker's hardness indentor. The variation of K /SUB IC/ with composition and microstructure was related to the extent of twin-crack interaction. Comparison of the plot of strength as a function of indentation load with that predicted from indentation fracture models indicates the presence of internal stresses which contribute to failure. The magnitude of these internal stresses has been correlated with electrical properties of the ceramic. Fractographic analysis was used to determine the magnitude of internal stresses in specimens failing from ''natural flaws.''

  14. Mechanical transport in two-dimensional networks of fractures

    International Nuclear Information System (INIS)

    Endo, H.K.

    1984-04-01

    The objectives of this research are to evaluate directional mechanical transport parameters for anisotropic fracture systems, and to determine if fracture systems behave like equivalent porous media. The tracer experiments used to measure directional tortuosity, longitudinal geometric dispersivity, and hydraulic effective porosity are conducted with a uniform flow field and measurements are made from the fluid flowing within a test section where linear length of travel is constant. Since fluid flow and mechanical transport are coupled processes, the directional variations of specific discharge and hydraulic effective porosity are measured in regions with constant hydraulic gradients to evaluate porous medium equivalence for the two processes, respectively. If the fracture region behaves like an equivalent porous medium, the system has the following stable properties: (1) specific discharge is uniform in any direction and can be predicted from a permeability tensor; and (2) hydraulic effective porosity is directionally stable. Fracture systems with two parallel sets of continuous fractures satisfy criterion 1. However, in these systems hydraulic effective porosity is directionally dependent, and thus, criterion 2 is violated. Thus, for some fracture systems, fluid flow can be predicted using porous media assumptions, but it may not be possible to predict transport using porous media assumptions. Two discontinuous fracture systems were studied which satisfied both criteria. Hydraulic effective porosity for both systems has a value between rock effective porosity and total porosity. A length-density analysis (LDS) of Canadian fracture data shows that porous media equivalence for fluid flow and transport is likely when systems have narrow aperture distributions. 54 references, 90 figures, 7 tables

  15. The application of fracture mechanics on nodular cast iron

    International Nuclear Information System (INIS)

    Kussmaul, K.; Blind, D.; Kockelmann, H.; Roos, E.; Eisele, U.

    1987-01-01

    A series of studies on predominantly thick-walled castings was the first attempt at a characterization of the material of ferritization-annealed ductile cast iron under aspects of fracture mechanics according to today's state of fracture-mechanics research and testing. As in static and dynamic tensile testing, ferritic cast iron meeting specifications was found to be tough down -40 0 C and below in fracture mechanical testing without substantial reduction of the corresponding characteristics at room temperature; this is true for a temperature range where the lowest point of impact notch work has been reached already. Impact-type stresses with and without notching resulted in enhanced deformation resistance and deformability in the longitudinal samples taken from tubes. (orig./DG) [de

  16. Applications of probabilistic fracture mechanics to FBR components

    International Nuclear Information System (INIS)

    Yagawa, Genki; Yoshimura, Shinobu; Takenaka, Makoto; Hojo, Kiminobu; Kaguchi, Hitoshi.

    1991-01-01

    A probabilistic fracture mechanics code PCCF which could analyze half-elliptical crack behavior in a plate under creep-fatigue condition using nonlinear fracture mechanics parameters was developed. The effects of bending stress level on failure probability was studied using the PCCF as test analyses. As the results, failure mode was leakage not break in all cases analyzed in this study. It is shown that leak probability is sensitive to stress level and increase rapidly around yield stress of materials. (J.P.N.)

  17. OCA-P, PWR Vessel Probabilistic Fracture Mechanics

    International Nuclear Information System (INIS)

    Cheverton, R.D.; Ball, D.G.

    2001-01-01

    1 - Description of program or function: OCA-P is a probabilistic fracture-mechanics code prepared specifically for evaluating the integrity of pressurized-water reactor vessels subjected to overcooling-accident loading conditions. Based on linear-elastic fracture mechanics, it has two- and limited three-dimensional flaw capability, and can treat cladding as a discrete region. Both deterministic and probabilistic analyses can be performed. For deterministic analysis, it is possible to conduct a search for critical values of the fluence and the nil-ductility reference temperature corresponding to incipient initiation of the initial flaw. The probabilistic portion of OCA-P is based on Monte Carlo techniques, and simulated parameters include fluence, flaw depth, fracture toughness, nil-ductility reference temperature, and concentrations of copper, nickel, and phosphorous. Plotting capabilities include the construction of critical-crack-depth diagrams (deterministic analysis) and a variety of histograms (probabilistic analysis). 2 - Method of solution: OAC-P accepts as input the reactor primary- system pressure and the reactor pressure-vessel downcomer coolant temperature, as functions of time in the specified transient. Then, the wall temperatures and stresses are calculated as a function of time and radial position in the wall, and the fracture-mechanics analysis is performed to obtain the stress intensity factors as a function of crack depth and time in the transient. In a deterministic analysis, values of the static crack initiation toughness and the crack arrest toughness are also calculated for all crack depths and times in the transient. A comparison of these values permits an evaluation of flaw behavior. For a probabilistic analysis, OCA-P generates a large number of reactor pressure vessels, each with a different combination of the various values of the parameters involved in the analysis of flaw behavior. For each of these vessels, a deterministic fracture

  18. Atomistic k ⋅ p theory

    Energy Technology Data Exchange (ETDEWEB)

    Pryor, Craig E., E-mail: craig-pryor@uiowa.edu [Department of Physics and Astronomy, University of Iowa, Iowa City, Iowa 52242 (United States); Pistol, M.-E., E-mail: mats-erik.pistol@ftf.lth.se [NanoLund and Solid State Physics, Lund University, P.O. Box 118, 221 00 Lund (Sweden)

    2015-12-14

    Pseudopotentials, tight-binding models, and k ⋅ p theory have stood for many years as the standard techniques for computing electronic states in crystalline solids. Here, we present the first new method in decades, which we call atomistic k ⋅ p theory. In its usual formulation, k ⋅ p theory has the advantage of depending on parameters that are directly related to experimentally measured quantities, however, it is insensitive to the locations of individual atoms. We construct an atomistic k ⋅ p theory by defining envelope functions on a grid matching the crystal lattice. The model parameters are matrix elements which are obtained from experimental results or ab initio wave functions in a simple way. This is in contrast to the other atomistic approaches in which parameters are fit to reproduce a desired dispersion and are not expressible in terms of fundamental quantities. This fitting is often very difficult. We illustrate our method by constructing a four-band atomistic model for a diamond/zincblende crystal and show that it is equivalent to the sp{sup 3} tight-binding model. We can thus directly derive the parameters in the sp{sup 3} tight-binding model from experimental data. We then take the atomistic limit of the widely used eight-band Kane model and compute the band structures for all III–V semiconductors not containing nitrogen or boron using parameters fit to experimental data. Our new approach extends k ⋅ p theory to problems in which atomistic precision is required, such as impurities, alloys, polytypes, and interfaces. It also provides a new approach to multiscale modeling by allowing continuum and atomistic k ⋅ p models to be combined in the same system.

  19. Stillinger-Weber potential for elastic and fracture properties in graphene and carbon nanotubes

    Science.gov (United States)

    Hossain, M. Z.; Hao, T.; Silverman, B.

    2018-02-01

    This paper presents a new framework for determining the Stillinger-Weber (SW) potential parameters for modeling fracture in graphene and carbon nanotubes. In addition to fitting the equilibrium material properties, the approach allows fitting the potential to the forcing behavior as well as the mechanical strength of the solid, without requiring ad hoc modification of the nearest-neighbor interactions for avoiding artificial stiffening of the lattice at larger deformation. Consistent with the first-principles results, the potential shows the Young’s modulus of graphene to be isotropic under symmetry-preserving and symmetry-breaking deformation conditions. It also shows the Young’s modulus of carbon nanotubes to be diameter-dependent under symmetry-breaking loading conditions. The potential addresses the key deficiency of existing empirical potentials in reproducing experimentally observed glass-like brittle fracture in graphene and carbon nanotubes. In simulating the entire deformation process leading to fracture, the SW-potential costs several factors less computational time compared to the state-of-the-art interatomic potentials that enables exploration of the fracture processes in large atomistic systems which are inaccessible otherwise.

  20. Interdisciplinary seminar on nondestructive testing and fracture mechanics. Lectures

    International Nuclear Information System (INIS)

    1998-01-01

    The proceedings volume contains 17 lectures presented at a DGZfP seminar held in Berlin/Germany, 2-3 November 1998. Fracture mechanics data are of interest with respect to determining maximum permissible limits for non-destructive materials evaluation, and as quantitative NDE test results indicating existing materials flaws in a system component, delivering information for assessement of remaining service life and safety risks. The topics of lectures are: Quality concepts for welded joints; NDE for service life assessment of engine components, shown for evaluation of engine pales and disks; NDE and crack detection at pressurized gas cylinders; fracture mechanics requirements for NDE in nuclear installations, discussion of practical examples (T. Seidenkranz); failure of off-shore constructions seen in the light of a novel fracture mechanics technical code. (orig./CB) [de

  1. Atomistic mechanism of graphene growth on a SiC substrate: Large-scale molecular dynamics simulations based on a new charge-transfer bond-order type potential

    Science.gov (United States)

    Takamoto, So; Yamasaki, Takahiro; Nara, Jun; Ohno, Takahisa; Kaneta, Chioko; Hatano, Asuka; Izumi, Satoshi

    2018-03-01

    Thermal decomposition of silicon carbide is a promising approach for the fabrication of graphene. However, the atomistic growth mechanism of graphene remains unclear. This paper describes the development of a new charge-transfer interatomic potential. Carbon bonds with a wide variety of characteristics can be reproduced by the proposed vectorized bond-order term. A large-scale thermal decomposition simulation enables us to observe the continuous growth process of the multiring carbon structure. The annealing simulation reveals the atomistic process by which the multiring carbon structure is transformed to flat graphene involving only six-membered rings. Also, it is found that the surface atoms of the silicon carbide substrate enhance the homogeneous graphene formation.

  2. Molecular-dynamics Simulation-based Cohesive Zone Representation of Intergranular Fracture Processes in Aluminum

    Science.gov (United States)

    Yamakov, Vesselin I.; Saether, Erik; Phillips, Dawn R.; Glaessgen, Edward H.

    2006-01-01

    A traction-displacement relationship that may be embedded into a cohesive zone model for microscale problems of intergranular fracture is extracted from atomistic molecular-dynamics simulations. A molecular-dynamics model for crack propagation under steady-state conditions is developed to analyze intergranular fracture along a flat 99 [1 1 0] symmetric tilt grain boundary in aluminum. Under hydrostatic tensile load, the simulation reveals asymmetric crack propagation in the two opposite directions along the grain boundary. In one direction, the crack propagates in a brittle manner by cleavage with very little or no dislocation emission, and in the other direction, the propagation is ductile through the mechanism of deformation twinning. This behavior is consistent with the Rice criterion for cleavage vs. dislocation blunting transition at the crack tip. The preference for twinning to dislocation slip is in agreement with the predictions of the Tadmor and Hai criterion. A comparison with finite element calculations shows that while the stress field around the brittle crack tip follows the expected elastic solution for the given boundary conditions of the model, the stress field around the twinning crack tip has a strong plastic contribution. Through the definition of a Cohesive-Zone-Volume-Element an atomistic analog to a continuum cohesive zone model element - the results from the molecular-dynamics simulation are recast to obtain an average continuum traction-displacement relationship to represent cohesive zone interaction along a characteristic length of the grain boundary interface for the cases of ductile and brittle decohesion. Keywords: Crack-tip plasticity; Cohesive zone model; Grain boundary decohesion; Intergranular fracture; Molecular-dynamics simulation

  3. Challenges in Continuum Modelling of Intergranular Fracture

    DEFF Research Database (Denmark)

    Coffman, Valerie; Sethna, James P.; Ingraffea, A. R.

    2011-01-01

    of grain boundaries, but also in crucial ways on edges, corners and triple junctions of even greater geometrical complexity. To address the first two challenges, we explore the physical underpinnings for creating functional forms to capture the hierarchical commensurability structure in the grain boundary......Intergranular fracture in polycrystals is often simulated by finite elements coupled to a cohesive zone model for the interfaces, requiring cohesive laws for grain boundaries as a function of their geometry. We discuss three challenges in understanding intergranular fracture in polycrystals. First...... properties. To address the last challenge, we demonstrate a method for atomistically extracting the fracture properties of geometrically complex local regions on the fly from within a finite element simulation....

  4. An adhesive contact mechanics formulation based on atomistically induced surface traction

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Houfu [Department of Civil and Environmental Engineering, University of California, Berkeley, CA 94720 (United States); Ren, Bo [Livermore Software Technology Corporation, 7374 Las Positas Road, Livermore, CA 94551 (United States); Li, Shaofan, E-mail: shaofan@berkeley.edu [Department of Civil and Environmental Engineering, University of California, Berkeley, CA 94720 (United States)

    2015-12-01

    In this work, we have developed a novel multiscale computational contact formulation based on the generalized Derjuguin approximation for continua that are characterized by atomistically enriched constitutive relations in order to study macroscopic interaction between arbitrarily shaped deformable continua. The proposed adhesive contact formulation makes use of the microscopic interaction forces between individual particles in the interacting bodies. In particular, the double-layer volume integral describing the contact interaction (energy, force vector, matrix) is converted into a double-layer surface integral through a mathematically consistent approach that employs the divergence theorem and a special partitioning technique. The proposed contact model is formulated in the nonlinear continuum mechanics framework and implemented using the standard finite element method. With no large penalty constant, the stiffness matrix of the system will in general be well-conditioned, which is of great significance for quasi-static analysis. Three numerical examples are presented to illustrate the capability of the proposed method. Results indicate that with the same mesh configuration, the finite element computation based on the surface integral approach is faster and more accurate than the volume integral based approach. In addition, the proposed approach is energy preserving even in a very long dynamic simulation.

  5. Elucidating the atomistic mechanisms underpinning plasticity in Li-Si nanostructures

    Science.gov (United States)

    Yan, Xin; Gouissem, Afif; Guduru, Pradeep R.; Sharma, Pradeep

    2017-10-01

    Amorphous lithium-silicon (a-Li-Si), especially in nanostructure form, is an attractive high-capacity anode material for next-generation Li-ion batteries. During cycles of charging and discharging, a-Li-Si undergoes substantive inelastic deformation and exhibits microcracking. The mechanical response to repeated lithiation-delithiation eventually results in the loss of electrical contact and consequent decrease of capacity, thus underscoring the importance of studying the plasticity of a-Li-Si nanostructures. In recent years, a variety of phenomenological continuum theories have been introduced that purport to model plasticity and the electro-chemo-mechanical behavior of a-Li-Si. Unfortunately, the micromechanisms and atomistic considerations underlying plasticity in Li-Si material are not yet fully understood and this impedes the development of physics-based constitutive models. Conventional molecular dynamics, although extensively used to study this material, is grossly inadequate to resolve this matter. As is well known, conventional molecular dynamics simulations can only address phenomena with characteristic time scales of (at most) a microsecond. Accordingly, in such simulations, the mechanical behavior is deduced under conditions of very high strain rates (usually, 108s-1 or even higher). This limitation severely impacts a realistic assessment of rate-dependent effects. In this work, we attempt to circumvent the time-scale bottleneck of conventional molecular dynamics and provide novel insights into the mechanisms underpinning plastic deformation of Li-Si nanostructures. We utilize an approach that allows imposition of slow strain rates and involves the employment of a new and recently developed potential energy surface sampling method—the so-called autonomous basin climbing—to identify the local minima in the potential energy surface. Combined with other techniques, such as nudged elastic band, kinetic Monte Carlo and transition state theory, we assess

  6. Fracture-mechanical results of non-destructive testing - function, goals, methods

    International Nuclear Information System (INIS)

    Herter, K.H.; Kockelmann, H.; Schuler, X.; Waidele, H.

    2004-01-01

    Non-destructive testing provides data for fracture-mechanical analyses, e.g. defect size and orientation. On the other hand, fracture-mechanical analyses may help to define criteria for non-destructive testing, e.g. sensitivity, inspection intervals and inspection sites. The criteria applied differ as a function of the safety relevance of a component. (orig.) [de

  7. Fracture mechanics model of fragmentation

    International Nuclear Information System (INIS)

    Glenn, L.A.; Gommerstadt, B.Y.; Chudnovsky, A.

    1986-01-01

    A model of the fragmentation process is developed, based on the theory of linear elastic fracture mechanics, which predicts the average fragment size as a function of strain rate and material properties. This approach permits a unification of previous results, yielding Griffith's solution in the low-strain-rate limit and Grady's solution at high strain rates

  8. Deformation and fracture mechanics of engineering materials

    National Research Council Canada - National Science Library

    Hertzberg, Richard W; Vinci, Richard Paul; Hertzberg, Jason L

    2012-01-01

    "Hertzberg's 5th edition of Deformation & Fracture Mechanics of Engineering Materials offers several new features including a greater number and variety of homework problems using more computational software...

  9. Mechanical dispersion in fractured crystalline rock systems

    International Nuclear Information System (INIS)

    Lafleur, D.W.; Raven, K.G.

    1986-12-01

    This report compiles and evaluates the hydrogeologic parameters describing the flow of groundwater and transport of solutes in fractured crystalline rocks. This report describes the processes of mechanical dispersion in fractured crystalline rocks, and compiles and evaluates the dispersion parameters determined from both laboratory and field tracer experiments. The compiled data show that extrapolation of the reliable test results performed over intermediate scales (10's of m and 10's to 100's of hours) to larger spatial and temporal scales required for performance assessment of a nuclear waste repository in crystalline rock is not justified. The reliable measures of longitudinal dispersivity of fractured crystalline rock are found to range between 0.4 and 7.8 m

  10. Fractures and Rock Mechanics, Phase 1

    DEFF Research Database (Denmark)

    Havmøller, Ole; Krogsbøll, Anette

    1997-01-01

    The main objectives of the project are to combine geological description of fractures, chalk types and rock mechanical properties, and to investigate whether the chosen outcrops can be used as analogues to reservoir chalks. Five chalk types, representing two outcrop localities: Stevns...

  11. Fracture mechanics parameters for glasses: A compilation and correlation

    International Nuclear Information System (INIS)

    Freiman, S.W.; Baker, T.L.; Wachtmann, J.B.

    1985-01-01

    This paper describes a computerized fracture mechanics data base and associated computer programs which permit extension and modification of data base as well as selection, plotting and curve fitting. Some preliminary results of correlations of fracture energy, gamma, with composition and elastic modulus are presented

  12. Fracture mechanics of thin wall cylindrical pressure vessels: an interim review

    International Nuclear Information System (INIS)

    Kurtz, R.J.; Olson, N.J.

    1977-08-01

    The report is a result of activities in the LMFBR Fuel Rod Transient Performance Program sponsored by the LMFBR Branch of the Division of Project Management, U.S. Nuclear Regulatory Commission. One of the objectives is to develop predictions relative to the length, direction, and rate of growth of cladding rips subsequent to (or concurrent with) the initial cladding breach during unprotected transients. To provide a basis for evaluation, Battelle, Pacific Northwest Laboratories has reviewed most available fracture mechanics assessments relative to thin-wall cylindrical pressure vessels. The purpose of the report is to review the various fracture mechanics models and to describe the pertinent fracture parameters. It is intended to provide a formal basis for assessing future analytical predictions of fracture behavior of materials exposed to transient LMFBR thermal and mechanical loading conditions. In addition, the report is expected to provide reference material for evaluating or developing experimental programs required to properly address the problem of predicting fracture behavior of materials during transient events

  13. Multi-scale modeling of inter-granular fracture in UO2

    Energy Technology Data Exchange (ETDEWEB)

    Chakraborty, Pritam [Idaho National Lab. (INL), Idaho Falls, ID (United States); Zhang, Yongfeng [Idaho National Lab. (INL), Idaho Falls, ID (United States); Tonks, Michael R. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Biner, S. Bulent [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-03-01

    A hierarchical multi-scale approach is pursued in this work to investigate the influence of porosity, pore and grain size on the intergranular brittle fracture in UO2. In this approach, molecular dynamics simulations are performed to obtain the fracture properties for different grain boundary types. A phase-field model is then utilized to perform intergranular fracture simulations of representative microstructures with different porosities, pore and grain sizes. In these simulations the grain boundary fracture properties obtained from molecular dynamics simulations are used. The responses from the phase-field fracture simulations are then fitted with a stress-based brittle fracture model usable at the engineering scale. This approach encapsulates three different length and time scales, and allows the development of microstructurally informed engineering scale model from properties evaluated at the atomistic scale.

  14. Cracking mechanism of shale cracks during fracturing

    Science.gov (United States)

    Zhao, X. J.; Zhan, Q.; Fan, H.; Zhao, H. B.; An, F. J.

    2018-06-01

    In this paper, we set up a model for calculating the shale fracture pressure on the basis of Huang’s model by the theory of elastic-plastic mechanics, rock mechanics and the application of the maximum tensile stress criterion, which takes into account such factors as the crustal stress field, chemical field, temperature field, tectonic stress field, the porosity of shale and seepage of drilling fluid and so on. Combined with the experimental data of field fracturing and the experimental results of three axis compression of shale core with different water contents, the results show that the error between the present study and the measured value is 3.85%, so the present study can provide technical support for drilling engineering.

  15. Fractures and Rock Mechanics, Phase 1

    DEFF Research Database (Denmark)

    Krogsbøll, Anette; Jakobsen, Finn; Madsen, Lena

    1997-01-01

    The main objective of the project is to combine geological descriptions of fractures, chalk types and rock mechanical properties in order to investigate whether the chosen outcrops can be used as analogues to reservoir chalks. This report deals with 1) geological descriptions of outcrop locality...

  16. Finite elements in fracture mechanics theory, numerics, applications

    CERN Document Server

    Kuna, Meinhard

    2013-01-01

    Fracture mechanics has established itself as an important discipline of growing interest to those working to assess the safety, reliability and service life of engineering structures and materials. In order to calculate the loading situation at cracks and defects, nowadays numerical techniques like finite element method (FEM) have become indispensable tools for a broad range of applications. The present monograph provides an introduction to the essential concepts of fracture mechanics, its main goal being to procure the special techniques for FEM analysis of crack problems, which have to date only been mastered by experts. All kinds of static, dynamic and fatigue fracture problems are treated in two- and three-dimensional elastic and plastic structural components. The usage of the various solution techniques is demonstrated by means of sample problems selected from practical engineering case studies. The primary target group includes graduate students, researchers in academia and engineers in practice.

  17. Mechanical properties and fracture of titanium hydrides

    International Nuclear Information System (INIS)

    Koketsu, Hideyuki; Taniyama, Yoshihiro; Yonezu, Akio; Cho, Hideo; Ogawa, Takeshi; Takemoto, Mikio; Nakayama, Gen

    2006-01-01

    Titanium hydrides tend to suffer fracture when their thicknesses reach a critical thickness. Morphology and mechanical property of the hydrides are, however, not well known. The study aims to reveal the hydride morphology and fracture types of the hydrides. Chevron shaped plate hydrides were found to be produced on the surface of pure titanium (Grade 1) and Grade 7 titanium absorbing hydrogen. There were tree types of fracture of the hydrides, i.e., crack in hydride layer, exfoliation of the layer and shear-type fracture of the hydride plates, during the growth of the hydrides and deformation. We next estimated the true stress-strain curves of the hydrides on Grade 1 and 7 titanium using the dual Vickers indentation method, and the critical strain causing the Mode-I fine crack by indentation. Fracture strength and strain of the hydrides in Grade 1 titanium were estimated as 566 MPa and 4.5%, respectively. Those of the hydride in Grade 7 titanium were 498 MPa and 16%. Though the fracture strains estimated from the plastic instability of true stress-strain curves were approximately the half of those estimated by finite element method, the titanium hydrides were estimated to possess some extent of toughness or plastic deformation capability. (author)

  18. Mechanical properties and fracture behaviour of defective phosphorene nanotubes under uniaxial tension

    Science.gov (United States)

    Liu, Ping; Pei, Qing-Xiang; Huang, Wei; Zhang, Yong-Wei

    2017-12-01

    The easy formation of vacancy defects and the asymmetry in the two sublayers of phosphorene nanotubes (PNTs) may result in brand new mechanical properties and failure behaviour. Herein, we investigate the mechanical properties and fracture behaviour of defective PNTs under uniaxial tension using molecular dynamics simulations. Our simulation results show that atomic vacancies cause local stress concentration and thus significantly reduce the fracture strength and fracture strain of PNTs. More specifically, a 1% defect concentration is able to reduce the fracture strength and fracture strain by as much as 50% and 66%, respectively. Interestingly, the reduction in the mechanical properties is found to depend on the defect location: a defect located in the outer sublayer has a stronger effect than one located in the inner layer, especially for PNTs with a small diameter. Temperature is also found to strongly influence the mechanical properties of both defect-free and defective PNTs. When the temperature is increased from 0 K to 400 K, the fracture strength and fracture strain of defective PNTs with a defect concentration of 1% are reduced further by 71% and 61%, respectively. These findings are of great importance for the structural design of PNTs as building blocks in nanodevices.

  19. Comparative study of fracture mechanical test methods for concrete

    DEFF Research Database (Denmark)

    Østergaard, Lennart; Olesen, John Forbes

    2004-01-01

    and the interpretation, i.e. the analysis needed to extract the stress-crack opening relationship, the fracture energy etc. Experiments are carried out with each test configuration using mature, high performance concrete. The results show that the UTT is a highly complicated test, which only under very well controlled...... circumstances will yield the true fracture mechanical properties. It is also shown that both the three point bending test and the WST are well-suited substitutes for the uniaxial tension test.......This paper describes and compares three different fracture mechanical test methods; the uniaxial tension test (UTT), the three point bending test (TPBT) and the wedge splitting test (WST). Potentials and problems with the test methods will be described with regard to the experiment...

  20. Fluid driven fracture mechanics in highly anisotropic shale: a laboratory study with application to hydraulic fracturing

    Science.gov (United States)

    Gehne, Stephan; Benson, Philip; Koor, Nick; Enfield, Mark

    2017-04-01

    The finding of considerable volumes of hydrocarbon resources within tight sedimentary rock formations in the UK led to focused attention on the fundamental fracture properties of low permeability rock types and hydraulic fracturing. Despite much research in these fields, there remains a scarcity of available experimental data concerning the fracture mechanics of fluid driven fracturing and the fracture properties of anisotropic, low permeability rock types. In this study, hydraulic fracturing is simulated in a controlled laboratory environment to track fracture nucleation (location) and propagation (velocity) in space and time and assess how environmental factors and rock properties influence the fracture process and the developing fracture network. Here we report data on employing fluid overpressure to generate a permeable network of micro tensile fractures in a highly anisotropic shale ( 50% P-wave velocity anisotropy). Experiments are carried out in a triaxial deformation apparatus using cylindrical samples. The bedding planes are orientated either parallel or normal to the major principal stress direction (σ1). A newly developed technique, using a steel guide arrangement to direct pressurised fluid into a sealed section of an axially drilled conduit, allows the pore fluid to contact the rock directly and to initiate tensile fractures from the pre-defined zone inside the sample. Acoustic Emission location is used to record and map the nucleation and development of the micro-fracture network. Indirect tensile strength measurements at atmospheric pressure show a high tensile strength anisotropy ( 60%) of the shale. Depending on the relative bedding orientation within the stress field, we find that fluid induced fractures in the sample propagate in two of the three principal fracture orientations: Divider and Short-Transverse. The fracture progresses parallel to the bedding plane (Short-Transverse orientation) if the bedding plane is aligned (parallel) with the

  1. Mechanics of Hydraulic Fractures

    Science.gov (United States)

    Detournay, Emmanuel

    2016-01-01

    Hydraulic fractures represent a particular class of tensile fractures that propagate in solid media under pre-existing compressive stresses as a result of internal pressurization by an injected viscous fluid. The main application of engineered hydraulic fractures is the stimulation of oil and gas wells to increase production. Several physical processes affect the propagation of these fractures, including the flow of viscous fluid, creation of solid surfaces, and leak-off of fracturing fluid. The interplay and the competition between these processes lead to multiple length scales and timescales in the system, which reveal the shifting influence of the far-field stress, viscous dissipation, fracture energy, and leak-off as the fracture propagates.

  2. Mathematical modeling of the crack growth in linear elastic isotropic materials by conventional fracture mechanics approaches and by molecular dynamics method: crack propagation direction angle under mixed mode loading

    Science.gov (United States)

    Stepanova, Larisa; Bronnikov, Sergej

    2018-03-01

    The crack growth directional angles in the isotropic linear elastic plane with the central crack under mixed-mode loading conditions for the full range of the mixity parameter are found. Two fracture criteria of traditional linear fracture mechanics (maximum tangential stress and minimum strain energy density criteria) are used. Atomistic simulations of the central crack growth process in an infinite plane medium under mixed-mode loading using Large-scale Molecular Massively Parallel Simulator (LAMMPS), a classical molecular dynamics code, are performed. The inter-atomic potential used in this investigation is Embedded Atom Method (EAM) potential. The plane specimens with initial central crack were subjected to Mixed-Mode loadings. The simulation cell contains 400000 atoms. The crack propagation direction angles under different values of the mixity parameter in a wide range of values from pure tensile loading to pure shear loading in a wide diapason of temperatures (from 0.1 К to 800 К) are obtained and analyzed. It is shown that the crack propagation direction angles obtained by molecular dynamics method coincide with the crack propagation direction angles given by the multi-parameter fracture criteria based on the strain energy density and the multi-parameter description of the crack-tip fields.

  3. Application of fracture mechanics to fatigue in pressure vessels

    International Nuclear Information System (INIS)

    Ghavami, K.

    1982-01-01

    The methods of application of fracture mechanics to predict fatigue crack propagation in welded structures and pressure vessels are described with the following objectives: i) To identify the effect of different variables such as crack tip plasticity, free surface, finite plate thickness, stress concentration and type of the structure, on the magnitude of stress intensity factor K in Welded joint. ii) To demonstrate the use of fracture mechanics for analysing fatigue crack propagation data. iii) To show how a law of fatigue crack propagation based on fracure mechanics, may be used to predict fatigue behavior of welded structures such as pressure vessel. (Author) [pt

  4. Rock mechanics in the disposal of radioactive wastes by hydraulic fracturing

    Energy Technology Data Exchange (ETDEWEB)

    McClain, W C

    1968-01-01

    The ultimate capacity of a hydraulic-fracturing waste disposal facility is governed primarily by the integrity of the rocks overlying the injected wastes. The objective of this study is to analyze theoretically the stresses and strains generated by the injected wastes in an effort to understand the behavior of the system sufficiently well that the failure mechanism can be predicted and the capacity of the injection well estimated. The surface uplifts at Oak Ridge National Laboratory's fracturing site were compared with theoretical curves obtained by assuming the uplifts to be inversely analogous to the subsidence which occurs over mining excavations. This analysis, based on assumptions of homogeneity, isotropy, and linear elasticity, provided considerable insight into the mechanics of the process. The most probable mechanism of failure of the rock appears to be by the formation of a vertical instead of a horizontal fracture. Fracture orientation is controlled primarily by the orientation of the principal stress field in the rock. Each successive waste injection slightly modifies this stress field toward a condition more favorable to the formation of a vertical fracture. (16 refs.)

  5. Lipid Exchange Mechanism of the Cholesteryl Ester Transfer Protein Clarified by Atomistic and Coarse-grained Simulations

    DEFF Research Database (Denmark)

    Koivuniemi, A.; Vuorela, T.; Kovanen, P. T.

    2012-01-01

    molecular dynamics simulations to unravel the mechanisms associated with the CETP-mediated lipid exchange. To this end we used both atomistic and coarse-grained models whose results were consistent with each other. We found CETP to bind to the surface of high density lipoprotein (HDL) -like lipid droplets......Cholesteryl ester transfer protein (CETP) transports cholesteryl esters, triglycerides, and phospholipids between different lipoprotein fractions in blood plasma. The inhibition of CETP has been shown to be a sound strategy to prevent and treat the development of coronary heart disease. We employed...... evidence that helix X acts as a lid which conducts lipid exchange by alternating the open and closed states. The findings have potential for the design of novel molecular agents to inhibit the activity of CETP....

  6. Mechanical properties and fracture behavior of single-layer phosphorene at finite temperatures

    International Nuclear Information System (INIS)

    Sha, Zhen-Dong; Pei, Qing-Xiang; Ding, Zhiwei; Zhang, Yong-Wei; Jiang, Jin-Wu

    2015-01-01

    Phosphorene, a new two-dimensional (2D) material beyond graphene, has attracted great attention in recent years due to its superior physical and electrical properties. However, compared to graphene and other 2D materials, phosphorene has a relatively low Young’s modulus and fracture strength, which may limit its applications due to possible structure failures. For the mechanical reliability of future phosphorene-based nanodevices, it is necessary to have a deep understanding of the mechanical properties and fracture behaviors of phosphorene. Previous studies on the mechanical properties of phosphorene were based on first principles calculations at 0 K. In this work, we employ molecular dynamics simulations to explore the mechanical properties and fracture behaviors of phosphorene at finite temperatures. It is found that temperature has a significant effect on the mechanical properties of phosphorene. The fracture strength and strain reduce by more than 65% when the temperature increases from 0 K to 450 K. Moreover, the fracture strength and strain in the zigzag direction is more sensitive to the temperature rise than that in the armchair direction. More interestingly, the failure crack propagates preferably along the groove in the puckered structure when uniaxial tension is applied in the armchair direction. In contrast, when the uniaxial tension is applied in the zigzag direction, multiple cracks are observed with rough fracture surfaces. Our present work provides useful information about the mechanical properties and failure behaviors of phosphorene at finite temperatures. (paper)

  7. Experimental and theoretical fracture mechanics applied to volcanic conduits and domes

    Science.gov (United States)

    Sammonds, P.; Matthews, C.; Kilburn, C.; Smith, R.; Tuffen, H.; Meredith, P.

    2008-12-01

    We present an integrated modelling and experimental approach to magma deformation and fracture, which we attempt to validate against field observations of seismicity. The importance of fracture processes in magma ascent dynamics and lava dome growth and collapse are apparent from the associated seismicity. Our laboratory experiments have shown that brittle fracture of magma can occur at high temperature and stress conditions prevalent in the shallow volcanic system. Here, we use a fracture mechanics approach to model seismicity preceding volcanic eruptions. Starting with the fracture mechanics concept of a crack in an elastic body, we model crack growth around the volcanic conduit through the processes of crack interactions, leading either to the propagation and linkage of cracks, or crack avoidance and the inhibition of crack propagation. The nature of that interaction is governed by the temperature and plasticity of the magma. We find that fracture mechanics rules can account for the style of seismicity preceding eruptions. We have derived the changes in seismic b-value predicted by the model and interpret these in terms of the style of fracturing, fluid flow and heat transport. We compare our model with results from our laboratory experiments where we have deformed lava at high temperatures under triaxial stresses. These experiments were conducted in dry and water saturated conditions at effective pressures up to 10 MPa, temperatures up to 1000°C and strain rates from 10-4 s-1 to 10-6 s-1. The behaviour of these magmas was largely brittle under these conditions. We monitored the acoustic emission emitted and calculate the change in micro-seismic b-value with deformation. These we find are in accord with volcano seismicity and our fracture mechanics model.

  8. Tibial Fractures in Alpine Skiing and Snowboarding in Finland: A Retrospective Study on Fracture Types and Injury Mechanisms in 363 Patients.

    Science.gov (United States)

    Stenroos, A; Pakarinen, H; Jalkanen, J; Mälkiä, T; Handolin, L

    2016-09-01

    Alpine skiing and snowboarding share the hazards of accidents accounting for tibial fractures. The aim of this study was to evaluate the fracture patterns and mechanisms of injury of tibial fractures taking place in downhill skiing and snowboarding. All patients with tibial fracture due to alpine skiing or snowboarding accident treated in four trauma centers next to the largest ski resorts in Finland were analyzed between 2006 and 2012. The hospital records were retrospectively reviewed for data collection: equipment used (skis or snowboard), age, gender, and mechanism of injury. Fractures were classified according to AO-classification. There were 342 skiing and 30 snowboarding related tibial fractures in 363 patients. Tibial shaft fracture was the most common fracture among skiers (n = 215, 63%), followed by proximal tibial fractures (n = 92, 27%). Snowboarders were most likely to suffer from proximal tibial fracture (13, 43%) or tibial shaft fracture (11, 37%). Snowboarders were also more likely than skiers to suffer complex AO type C fractures (23% vs 9%, p jumping (46%). The most important finding was the relatively high number of the tibial plateau fractures among adult skiers. The fracture patterns between snowboarding and skiing were different; the most common fracture type in skiers was spiral tibial shaft fracture compared to proximal tibial fractures in snowboarders. Children had more simple fractures than adults. © The Finnish Surgical Society 2016.

  9. A three-dimensional coupled thermo-hydro-mechanical model for deformable fractured geothermal systems

    DEFF Research Database (Denmark)

    Salimzadeh, Saeed; Paluszny, Adriana; Nick, Hamidreza M.

    2018-01-01

    A fully coupled thermal-hydraulic-mechanical (THM) finite element model is presented for fractured geothermal reservoirs. Fractures are modelled as surface discontinuities within a three-dimensional matrix. Non-isothermal flow through the rock matrix and fractures are defined and coupled to a mec......A fully coupled thermal-hydraulic-mechanical (THM) finite element model is presented for fractured geothermal reservoirs. Fractures are modelled as surface discontinuities within a three-dimensional matrix. Non-isothermal flow through the rock matrix and fractures are defined and coupled....... The model has been validated against several analytical solutions, and applied to study the effects of the deformable fractures on the injection of cold water in fractured geothermal systems. Results show that the creation of flow channelling due to the thermal volumetric contraction of the rock matrix...

  10. Uncertainty analysis on probabilistic fracture mechanics assessment methodology

    International Nuclear Information System (INIS)

    Rastogi, Rohit; Vinod, Gopika; Chandra, Vikas; Bhasin, Vivek; Babar, A.K.; Rao, V.V.S.S.; Vaze, K.K.; Kushwaha, H.S.; Venkat-Raj, V.

    1999-01-01

    Fracture Mechanics has found a profound usage in the area of design of components and assessing fitness for purpose/residual life estimation of an operating component. Since defect size and material properties are statistically distributed, various probabilistic approaches have been employed for the computation of fracture probability. Monte Carlo Simulation is one such procedure towards the analysis of fracture probability. This paper deals with uncertainty analysis using the Monte Carlo Simulation methods. These methods were developed based on the R6 failure assessment procedure, which has been widely used in analysing the integrity of structures. The application of this method is illustrated with a case study. (author)

  11. Multiscale Modeling of Carbon/Phenolic Composite Thermal Protection Materials: Atomistic to Effective Properties

    Science.gov (United States)

    Arnold, Steven M.; Murthy, Pappu L.; Bednarcyk, Brett A.; Lawson, John W.; Monk, Joshua D.; Bauschlicher, Charles W., Jr.

    2016-01-01

    Next generation ablative thermal protection systems are expected to consist of 3D woven composite architectures. It is well known that composites can be tailored to achieve desired mechanical and thermal properties in various directions and thus can be made fit-for-purpose if the proper combination of constituent materials and microstructures can be realized. In the present work, the first, multiscale, atomistically-informed, computational analysis of mechanical and thermal properties of a present day - Carbon/Phenolic composite Thermal Protection System (TPS) material is conducted. Model results are compared to measured in-plane and out-of-plane mechanical and thermal properties to validate the computational approach. Results indicate that given sufficient microstructural fidelity, along with lowerscale, constituent properties derived from molecular dynamics simulations, accurate composite level (effective) thermo-elastic properties can be obtained. This suggests that next generation TPS properties can be accurately estimated via atomistically informed multiscale analysis.

  12. Sedimentary facies control on mechanical and fracture stratigraphy in turbidites

    NARCIS (Netherlands)

    Ogata, Kei; Storti, Fabrizio; Balsamo, Fabrizio; Tinterri, Roberto; Bedogni, Enrico; Fetter, Marcos; Gomes, Leonardo; Hatushika, Raphael

    2017-01-01

    Natural fracture networks exert a first-order control on the exploitation of resources such as aquifers, hydrocarbons, and geothermal reservoirs, and on environmental issues like underground gas storage and waste disposal. Fractures and the mechanical stratigraphy of layered sequences have been

  13. Subcritical fracture propagation in rocks: An examination using the methods of fracture mechanics and non-destructive testing. Ph.D. Thesis

    Science.gov (United States)

    Swanson, P. L.

    1984-01-01

    An experimental investigation of tensile rock fracture is presented with an emphasis on characterizing time dependent crack growth using the methods of fracture mechanics. Subcritical fracture experiments were performed in moist air on glass and five different rock types at crack velocities using the double torsion technique. The experimental results suggest that subcritical fracture resistance in polycrystals is dominated by microstructural effects. Evidence for gross violations of the assumptions of linear elastic fracture mechanics and double torsion theory was found in the tests on rocks. In an effort to obtain a better understanding of the physical breakdown processes associated with rock fracture, a series of nondestructive evaluation tests were performed during subcritical fracture experiments on glass and granite. Comparison of the observed process zone shape with that expected on the basis of a critical normal principal tensile stress criterion shows that the zone is much more elongated in the crack propagation direction than predicted by the continuum based microcracking model alone.

  14. Mechanical test and fractal analysis on anisotropic fracture of cortical bone

    International Nuclear Information System (INIS)

    Yin, Dagang; Chen, Bin; Ye, Wei; Gou, Jihua; Fan, Jinghong

    2015-01-01

    Highlights: • The mechanical properties of the cortical bone of fresh bovine femora along three different directions are tested through four-point bending experiments. • SEM observation shows that the roughness of the fracture surfaces of the three different directions of the bone are remarkably different. • The fractal dimensions of the different fracture surfaces of the bone are calculated by box-counting method in MATLAB. • The fracture energies of the different fracture directions are calculated based on their fractal models. - Abstract: The mechanical properties of the cortical bone of fresh bovine femora along three different directions are tested through four-point bending experiments. It is indicated that the fracture energy along the transversal direction of the bone is distinctly larger than those of the longitudinal and radial directions. The fracture surfaces of the three different directions are observed by scanning electron microscope (SEM). It is shown that the roughness of the fracture surface of the transversal direction is obviously larger than those of the fracture surfaces of the longitudinal and radial directions. It is also revealed that the osteons in the bone are perpendicular to the fracture surface of the transversal direction and parallel to the fracture surfaces of the longitudinal and radial directions. Based on these experimental results, the fractal dimensions of the fracture surfaces of different directions are calculated by box-counting method in MATLAB. The calculated results show that the fractal dimension of the fracture surface of the transversal direction is remarkably larger than those of the fracture surfaces of the longitudinal and radial directions. The fracture energies of different directions are also calculated based on their fractal models. It is denoted that the fracture energy of the transversal direction is remarkably larger than those of the longitudinal and radial directions. The calculated results are in

  15. Mechanical test and fractal analysis on anisotropic fracture of cortical bone

    Energy Technology Data Exchange (ETDEWEB)

    Yin, Dagang [State Key Laboratory of Coal Mine Disaster Dynamics and Control, Chongqing University, Chongqing 400044 (China); College of Aerospace Engineering, Chongqing University, Chongqing 400044 (China); Chen, Bin, E-mail: bchen@cqu.edu.cn [State Key Laboratory of Coal Mine Disaster Dynamics and Control, Chongqing University, Chongqing 400044 (China); College of Aerospace Engineering, Chongqing University, Chongqing 400044 (China); Ye, Wei [College of Aerospace Engineering, Chongqing University, Chongqing 400044 (China); Gou, Jihua [Department of Mechanical and Aerospace Engineering, University of Central Florida, Orlando, FL 32816 (United States); Fan, Jinghong [Division of Mechanical Engineering, Alfred University, Alfred, NY 14802 (United States)

    2015-12-01

    Highlights: • The mechanical properties of the cortical bone of fresh bovine femora along three different directions are tested through four-point bending experiments. • SEM observation shows that the roughness of the fracture surfaces of the three different directions of the bone are remarkably different. • The fractal dimensions of the different fracture surfaces of the bone are calculated by box-counting method in MATLAB. • The fracture energies of the different fracture directions are calculated based on their fractal models. - Abstract: The mechanical properties of the cortical bone of fresh bovine femora along three different directions are tested through four-point bending experiments. It is indicated that the fracture energy along the transversal direction of the bone is distinctly larger than those of the longitudinal and radial directions. The fracture surfaces of the three different directions are observed by scanning electron microscope (SEM). It is shown that the roughness of the fracture surface of the transversal direction is obviously larger than those of the fracture surfaces of the longitudinal and radial directions. It is also revealed that the osteons in the bone are perpendicular to the fracture surface of the transversal direction and parallel to the fracture surfaces of the longitudinal and radial directions. Based on these experimental results, the fractal dimensions of the fracture surfaces of different directions are calculated by box-counting method in MATLAB. The calculated results show that the fractal dimension of the fracture surface of the transversal direction is remarkably larger than those of the fracture surfaces of the longitudinal and radial directions. The fracture energies of different directions are also calculated based on their fractal models. It is denoted that the fracture energy of the transversal direction is remarkably larger than those of the longitudinal and radial directions. The calculated results are in

  16. Multiscale Stochastic Fracture Mechanics of Composites Informed by In-situ XCT Tests

    Science.gov (United States)

    2016-02-02

    interfacial fracture ) in CFRP was recently found in the fuselages of Dreamliner 787, and two types of cracks were found in the rib feet brackets...AFRL-AFOSR-UK-TR-2016-0003 Multiscale Stochastic Fracture Mechanics of Composites Informed by In-situ XCT Tests Zhenjun Yang UNIVERSITY OF MANCHESTER...Multiscale Stochastic Fracture Mechanics of Composites Informed by In-situ XCT Tests 5a. CONTRACT NUMBER EOARD 12-2100 5b. GRANT NUMBER F8655-12-1

  17. Selection of pipeline steels with an engineering fracture mechanical analysis

    Energy Technology Data Exchange (ETDEWEB)

    Stenbacka, N [Swedish State Power Board, Vaellingby

    1985-01-01

    Selection of pipeline steels is discussed on the basis of two mutually independent failure mechanisms: elastic fracture and plastic collapse. The presentation is restricted to axial flaws. A formal analysis shows that brittle fracture in modern pipelines has no high priority in design, since steels used today have a high fracture toughness. Instead, a case of practical concern is tha plastic collapse mode, where failure is flow stress controlled. Conditions governing this design case are specified. In conjunction with this, criterions for material selection with regard to fracture toughness is presented.

  18. Hierarchical Statistical 3D ' Atomistic' Simulation of Decanano MOSFETs: Drift-Diffusion, Hydrodynamic and Quantum Mechanical Approaches

    Science.gov (United States)

    Asenov, Asen; Brown, A. R.; Slavcheva, G.; Davies, J. H.

    2000-01-01

    When MOSFETs are scaled to deep submicron dimensions the discreteness and randomness of the dopant charges in the channel region introduces significant fluctuations in the device characteristics. This effect, predicted 20 year ago, has been confirmed experimentally and in simulation studies. The impact of the fluctuations on the functionality, yield, and reliability of the corresponding systems shifts the paradigm of the numerical device simulation. It becomes insufficient to simulate only one device representing one macroscopical design in a continuous charge approximation. An ensemble of macroscopically identical but microscopically different devices has to be characterized by simulation of statistically significant samples. The aims of the numerical simulations shift from predicting the characteristics of a single device with continuous doping towards estimating the mean values and the standard deviations of basic design parameters such as threshold voltage, subthreshold slope, transconductance, drive current, etc. for the whole ensemble of 'atomistically' different devices in the system. It has to be pointed out that even the mean values obtained from 'atomistic' simulations are not identical to the values obtained from continuous doping simulations. In this paper we present a hierarchical approach to the 'atomistic' simulation of aggressively scaled decanano MOSFETs. A full scale 3D drift-diffusion'atomostic' simulation approach is first described and used for verification of the more economical, but also more restricted, options. To reduce the processor time and memory requirements at high drain voltage we have developed a self-consistent option based on a thin slab solution of the current continuity equation only in the channel region. This is coupled to the Poisson's equation solution in the whole simulation domain in the Gummel iteration cycles. The accuracy of this approach is investigated in comparison with the full self-consistent solution. At low drain

  19. Investigation of Mechanical Properties and Fracture Simulation of Solution-Treated AA 5754

    Science.gov (United States)

    Kumar, Pankaj; Singh, Akhilendra

    2017-10-01

    In this work, mechanical properties and fracture toughness of as-received and solution-treated aluminum alloy 5754 (AA 5754) are experimentally evaluated. Solution heat treatment of the alloy is performed at 530 °C for 2 h, and then, quenching is done in water. Yield strength, ultimate tensile strength, impact toughness, hardness, fatigue life, brittle fracture toughness (K_{Ic} ) and ductile fracture toughness (J_{Ic} ) are evaluated for as-received and solution-treated alloy. Extended finite element method has been used for the simulation of tensile and fracture behavior of material. Heaviside function and asymptotic crack tip enrichment functions are used for modelling of the crack in the geometry. Ramberg-Osgood material model coupled with fracture energy is used to simulate the crack propagation. Fracture surfaces obtained from various mechanical tests are characterized by scanning electron microscopy.

  20. Simulation of crack propagation in fiber-reinforced concrete by fracture mechanics

    International Nuclear Information System (INIS)

    Zhang Jun; Li, Victor C.

    2004-01-01

    Mode I crack propagation in fiber-reinforced concrete (FRC) is simulated by a fracture mechanics approach. A superposition method is applied to calculate the crack tip stress intensity factor. The model relies on the fracture toughness of hardened cement paste (K IC ) and the crack bridging law, so-called stress-crack width (σ-δ) relationship of the material, as the fundamental material parameters for model input. As two examples, experimental data from steel FRC beams under three-point bending load are analyzed with the present fracture mechanics model. A good agreement has been found between model predictions and experimental results in terms of flexural stress-crack mouth opening displacement (CMOD) diagrams. These analyses and comparisons confirm that the structural performance of concrete and FRC elements, such as beams in bending, can be predicted by the simple fracture mechanics model as long as the related material properties, K IC and (σ-δ) relationship, are known

  1. Atomistic Properties of Solids

    CERN Document Server

    Sirdeshmukh, Dinker B; Subhadra, K G

    2011-01-01

    The book deals with atomistic properties of solids which are determined by the crystal structure, interatomic forces and atomic displacements influenced by the effects of temperature, stress and electric fields. The book gives equal importance to experimental details and theory. There are full chapters dedicated to the tensor nature of physical properties, mechanical properties, lattice vibrations, crystal structure determination and ferroelectricity. The other crystalline states like nano-, poly-, liquid- and quasi crystals are discussed. Several new topics like nonlinear optics and the Rietveld method are presented in the book. The book lays emphasis on the role of symmetry in crystal properties. Comprehensiveness is the strength of the book; this allows users at different levels a choice of chapters according to their requirements.

  2. STAFAN, Fluid Flow, Mechanical Stress in Fractured Rock of Nuclear Waste Repository

    International Nuclear Information System (INIS)

    Huyakorn, P.; Golis, M.J.

    1989-01-01

    1 - Description of program or function: STAFAN (Stress And Flow Analysis) is a two-dimensional, finite-element code designed to model fluid flow and the interaction of fluid pressure and mechanical stresses in a fractured rock surrounding a nuclear waste repository. STAFAN considers flow behavior of a deformable fractured system with fracture-porous matrix interactions, the coupling effects of fluid pressure and mechanical stresses in a medium containing discrete joints, and the inelastic response of the individual joints of the rock mass subject to the combined fluid pressure and mechanical loading. 2 - Restrictions on the complexity of the problem: STAFAN does not presently contain thermal coupling, and it is unable to simulate inelastic deformation of the rock mass and variably saturated or two-phase flow in the fractured porous medium system

  3. Microscale fracture mechanisms of a Cr3C2-NiCr HVOF coating

    International Nuclear Information System (INIS)

    Robertson, Andrew L.; White, Ken W.

    2017-01-01

    Thermal spray coatings, often composed of heterogeneous, multiphase microstructures, may, consequently, exhibit complex fracture behavior. For such coating structures, conventional mechanical evaluation methods fail to isolate the contribution of microstructural features to the overall fracture behavior. For this reason, this study employed focused ion beam machined (FIB) microcantilever beams and FIB sectioning methods to study the fracture mechanisms important at the scale of the heterogeneous Cr 3 C 2 -NiCr thermal spray coating. We found three fracture modes, namely, intergranular matrix fracture, matrix/carbide interfacial fracture, and carbide cleavage. By comparison, microindentation-induced cracks, the frequency of crack deflection around carbides is significantly more prevalent at this much larger crack dimension. This mechanistic variation provides some insight into the specific role and limitations of the microcantilever beam technique for fracture characterization of composite microstructures.

  4. Mechanisms Underlying Stress Fracture and the Influence of Sex and Race/Ethnicity

    Science.gov (United States)

    2017-10-01

    AWARD NUMBER: W81XWH-16-1-0652 TITLE: Mechanisms Underlying Stress Fracture and the Influence of Sex and Race/Ethnicity PRINCIPAL INVESTIGATOR...5a. CONTRACT NUMBER W81XWH-16-1-0652 Mechanisms Underlying Stress Fracture and the Influence of Sex and Race/Ethnicity 5b. GRANT NUMBER W81XWH...to stress fracture risk. In particular, in Study 1, we will perform advanced skeletal imaging along with gait-assessments in subjects with history of

  5. Ion beam processing of surfaces and interfaces. Modeling and atomistic simulations

    International Nuclear Information System (INIS)

    Liedke, Bartosz

    2011-01-01

    Self-organization of regular surface pattern under ion beam erosion was described in detail by Navez in 1962. Several years later in 1986 Bradley and Harper (BH) published the first self-consistent theory on this phenomenon based on the competition of surface roughening described by Sigmund's sputter theory and surface smoothing by Mullins-Herring diffusion. Many papers that followed BH theory introduced other processes responsible for the surface patterning e.g. viscous flow, redeposition, phase separation, preferential sputtering, etc. The present understanding is still not sufficient to specify the dominant driving forces responsible for self-organization. 3D atomistic simulations can improve the understanding by reproducing the pattern formation with the detailed microscopic description of the driving forces. 2D simulations published so far can contribute to this understanding only partially. A novel program package for 3D atomistic simulations called TRIDER (TRansport of Ions in matter with DEfect Relaxation), which unifies full collision cascade simulation with atomistic relaxation processes, has been developed. The collision cascades are provided by simulations based on the Binary Collision Approximation, and the relaxation processes are simulated with the 3D lattice kinetic Monte-Carlo method. This allows, without any phenomenological model, a full 3D atomistic description on experimental spatiotemporal scales. Recently discussed new mechanisms of surface patterning like ballistic mass drift or the dependence of the local morphology on sputtering yield are inherently included in our atomistic approach. The atomistic 3D simulations do not depend so much on experimental assumptions like reported 2D simulations or continuum theories. The 3D computer experiments can even be considered as 'cleanest' possible experiments for checking continuum theories. This work aims mainly at the methodology of a novel atomistic approach, showing that: (i) In general

  6. Ion beam processing of surfaces and interfaces. Modeling and atomistic simulations

    Energy Technology Data Exchange (ETDEWEB)

    Liedke, Bartosz

    2011-03-24

    Self-organization of regular surface pattern under ion beam erosion was described in detail by Navez in 1962. Several years later in 1986 Bradley and Harper (BH) published the first self-consistent theory on this phenomenon based on the competition of surface roughening described by Sigmund's sputter theory and surface smoothing by Mullins-Herring diffusion. Many papers that followed BH theory introduced other processes responsible for the surface patterning e.g. viscous flow, redeposition, phase separation, preferential sputtering, etc. The present understanding is still not sufficient to specify the dominant driving forces responsible for self-organization. 3D atomistic simulations can improve the understanding by reproducing the pattern formation with the detailed microscopic description of the driving forces. 2D simulations published so far can contribute to this understanding only partially. A novel program package for 3D atomistic simulations called TRIDER (TRansport of Ions in matter with DEfect Relaxation), which unifies full collision cascade simulation with atomistic relaxation processes, has been developed. The collision cascades are provided by simulations based on the Binary Collision Approximation, and the relaxation processes are simulated with the 3D lattice kinetic Monte-Carlo method. This allows, without any phenomenological model, a full 3D atomistic description on experimental spatiotemporal scales. Recently discussed new mechanisms of surface patterning like ballistic mass drift or the dependence of the local morphology on sputtering yield are inherently included in our atomistic approach. The atomistic 3D simulations do not depend so much on experimental assumptions like reported 2D simulations or continuum theories. The 3D computer experiments can even be considered as 'cleanest' possible experiments for checking continuum theories. This work aims mainly at the methodology of a novel atomistic approach, showing that: (i) In

  7. Effects of chemical alteration on fracture mechanical properties in hydrothermal systems

    Science.gov (United States)

    Callahan, O. A.; Eichhubl, P.; Olson, J. E.

    2015-12-01

    Fault and fracture networks often control the distribution of fluids and heat in hydrothermal and epithermal systems, and in related geothermal and mineral resources. Additional chemical influences on conduit evolution are well documented, with dissolution and precipitation of mineral species potentially changing the permeability of fault-facture networks. Less well understood are the impacts of chemical alteration on the mechanical properties governing fracture growth and fracture network geometry. We use double-torsion (DT) load relaxation tests under ambient air conditions to measure the mode-I fracture toughness (KIC) and subcritical fracture growth index (SCI) of variably altered rock samples obtained from outcrop in Dixie Valley, NV. Samples from southern Dixie Valley include 1) weakly altered granite, characterized by minor sericite in plagioclase, albitization and vacuolization of feldspars, and incomplete replacement of biotite with chlorite, and 2) granite from an area of locally intense propylitic alteration with chlorite-calcite-hematite-epidote assemblages. We also evaluated samples of completely silicified gabbro obtained from the Dixie Comstock epithermal gold deposit. In the weakly altered granite KIC and SCI are 1.3 ±0.2 MPam1/2 (n=8) and 59 ±25 (n=29), respectively. In the propylitic assemblage KIC is reduced to 0.6 ±0.1 MPam1/2 (n=11), and the SCI increased to 75 ±36 (n = 33). In both cases, the altered materials have lower fracture toughness and higher SCI than is reported for common geomechanical standards such as Westerly Granite (KIC ~1.7 MPam1/2; SCI ~48). Preliminary analysis of the silicified gabbro shows a significant increase in fracture toughness, 3.6 ±0.4 MPam1/2 (n=2), and SCI, 102 ±45 (n=19), compared to published values for gabbro (2.9 MPam1/2 and SCI = 32). These results suggest that mineralogical and textural changes associated with different alteration assemblages may result in spatially variable rates of fracture

  8. An extension of fracture mechanics/technology to larger and smaller cracks/defects

    Science.gov (United States)

    Abé, Hiroyuki

    2009-01-01

    Fracture mechanics/technology is a key science and technology for the design and integrity assessment of the engineering structures. However, the conventional fracture mechanics has mostly targeted a limited size of cracks/defects, say of from several hundred microns to several tens of centimeters. The author and his group has tried to extend that limited size and establish a new version of fracture technology for very large cracks used in geothermal energy extraction and for very small cracks/defects or damage often appearing in the combination of mechanical and electronic components of engineering structures. Those new versions are reviewed in this paper. PMID:19907123

  9. Mechanical and mathematical models of multi-stage horizontal fracturing strings and their application

    Directory of Open Access Journals (Sweden)

    Zhanghua Lian

    2015-03-01

    Full Text Available Multi-stage SRV fracturing in horizontal wells is a new technology developed at home and abroad in recent years to effectively develop shale gas or low-permeability reservoirs, but on the other hand makes the mechanical environment of fracturing strings more complicated at the same time. In view of this, based on the loading features of tubing strings during the multi-stage fracturing of a horizontal well, mechanical models were established for three working cases of multiple packer setting, open differential-pressure sliding sleeve, and open ball-injection sliding sleeve under a hold-down packer. Moreover, mathematical models were respectively built for the above three cases. According to the Lame formula and Von Mises stress calculation formula for the thick-walled cylinder in the theory of elastic mechanics, a mathematical model was also established to calculate the equivalent stress for tubing string safety evaluation when the fracturing string was under the combined action of inner pressure, external squeezing force and axial stress, and another mathematical model was built for the mechanical strength and safety evaluation of multi-stage fracturing strings. In addition, a practical software was developed for the mechanical safety evaluation of horizontal well multi-stage fracturing strings according to the mathematical model developed for the mechanical calculation of the multi-packer string in horizontal wells. The research results were applied and verified in a gas well of Tahe Oilfield in the Tarim Basin with excellent effects, providing a theoretical basis and a simple and reliable technical means for optimal design and safety evaluation of safe operational parameters of multi-stage fracturing strings in horizontal wells.

  10. NASGRO(registered trademark): Fracture Mechanics and Fatigue Crack Growth Analysis Software

    Science.gov (United States)

    Forman, Royce; Shivakumar, V.; Mettu, Sambi; Beek, Joachim; Williams, Leonard; Yeh, Feng; McClung, Craig; Cardinal, Joe

    2004-01-01

    This viewgraph presentation describes NASGRO, which is a fracture mechanics and fatigue crack growth analysis software package that is used to reduce risk of fracture in Space Shuttles. The contents include: 1) Consequences of Fracture; 2) NASA Fracture Control Requirements; 3) NASGRO Reduces Risk; 4) NASGRO Use Inside NASA; 5) NASGRO Components: Crack Growth Module; 6) NASGRO Components:Material Property Module; 7) Typical NASGRO analysis: Crack growth or component life calculation; and 8) NASGRO Sample Application: Orbiter feedline flowliner crack analysis.

  11. From fracture mechanics to damage mechanics: how to model structural deterioration

    International Nuclear Information System (INIS)

    Nicolet, S.; Lorentz, E.; Barbier, G.

    1998-01-01

    Modelling of structural deteriorations of thermo-mechanical origin is highly enhanced when using damage mechanics. Indeed, the latter offers both a fine description of the material behaviour and an ability to deal with any loading conditions, moving away the current limits of fracture mechanics. But new difficulties can arise, depending on the examined problem: if forecasts of rack initiation are well mastered, the study of crack propagation remains more complex and needs sophisticated modelizations, which are nevertheless on the point of being well understood too. (authors)

  12. Quantum Corrections to the 'Atomistic' MOSFET Simulations

    Science.gov (United States)

    Asenov, Asen; Slavcheva, G.; Kaya, S.; Balasubramaniam, R.

    2000-01-01

    We have introduced in a simple and efficient manner quantum mechanical corrections in our 3D 'atomistic' MOSFET simulator using the density gradient formalism. We have studied in comparison with classical simulations the effect of the quantum mechanical corrections on the simulation of random dopant induced threshold voltage fluctuations, the effect of the single charge trapping on interface states and the effect of the oxide thickness fluctuations in decanano MOSFETs with ultrathin gate oxides. The introduction of quantum corrections enhances the threshold voltage fluctuations but does not affect significantly the amplitude of the random telegraph noise associated with single carrier trapping. The importance of the quantum corrections for proper simulation of oxide thickness fluctuation effects has also been demonstrated.

  13. State-of-the-art report on piping fracture mechanics

    International Nuclear Information System (INIS)

    Wilkowski, G.M.; Olson, R.J.; Scott, P.M.

    1998-01-01

    This report is an in-depth summary of the state-of-the-art in nuclear piping fracture mechanics. It represents the culmination of 20 years of work done primarily in the US, but also attempts to include important aspects from other international efforts. Although the focus of this work was for the nuclear industry, the technology is also applicable in many cases to fossil plants, petrochemical/refinery plants, and the oil and gas industry. In compiling this detailed summary report, all of the equations and details of the analysis procedure or experimental results are not necessarily included. Rather, the report describes the important aspects and limitations, tells the reader where he can go for further information, and more importantly, describes the accuracy of the models. Nevertheless, the report still contains over 150 equations and over 400 references. The main sections of this report describe: (1) the evolution of piping fracture mechanics history relative to the developments of the nuclear industry, (2) technical developments in stress analyses, material property aspects, and fracture mechanics analyses, (3) unresolved issues and technically evolving areas, and (4) a summary of conclusions of major developments to date

  14. State-of-the-art report on piping fracture mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Wilkowski, G.M.; Olson, R.J.; Scott, P.M. [Battelle, Columbus, OH (United States)

    1998-01-01

    This report is an in-depth summary of the state-of-the-art in nuclear piping fracture mechanics. It represents the culmination of 20 years of work done primarily in the US, but also attempts to include important aspects from other international efforts. Although the focus of this work was for the nuclear industry, the technology is also applicable in many cases to fossil plants, petrochemical/refinery plants, and the oil and gas industry. In compiling this detailed summary report, all of the equations and details of the analysis procedure or experimental results are not necessarily included. Rather, the report describes the important aspects and limitations, tells the reader where he can go for further information, and more importantly, describes the accuracy of the models. Nevertheless, the report still contains over 150 equations and over 400 references. The main sections of this report describe: (1) the evolution of piping fracture mechanics history relative to the developments of the nuclear industry, (2) technical developments in stress analyses, material property aspects, and fracture mechanics analyses, (3) unresolved issues and technically evolving areas, and (4) a summary of conclusions of major developments to date.

  15. Fermi-level effects in semiconductor processing: A modeling scheme for atomistic kinetic Monte Carlo simulators

    Science.gov (United States)

    Martin-Bragado, I.; Castrillo, P.; Jaraiz, M.; Pinacho, R.; Rubio, J. E.; Barbolla, J.; Moroz, V.

    2005-09-01

    Atomistic process simulation is expected to play an important role for the development of next generations of integrated circuits. This work describes an approach for modeling electric charge effects in a three-dimensional atomistic kinetic Monte Carlo process simulator. The proposed model has been applied to the diffusion of electrically active boron and arsenic atoms in silicon. Several key aspects of the underlying physical mechanisms are discussed: (i) the use of the local Debye length to smooth out the atomistic point-charge distribution, (ii) algorithms to correctly update the charge state in a physically accurate and computationally efficient way, and (iii) an efficient implementation of the drift of charged particles in an electric field. High-concentration effects such as band-gap narrowing and degenerate statistics are also taken into account. The efficiency, accuracy, and relevance of the model are discussed.

  16. Fracturing mechanics before valve-in-valve therapy of small aortic bioprosthetic heart valves.

    Science.gov (United States)

    Johansen, Peter; Engholt, Henrik; Tang, Mariann; Nybo, Rasmus F; Rasmussen, Per D; Nielsen-Kudsk, Jens Erik

    2017-10-13

    Patients with degraded bioprosthetic heart valves (BHV) who are not candidates for valve replacement may benefit from transcatheter valve-in-valve (VIV) therapy. However, in smaller-sized surgical BHV the resultant orifice may become too narrow. To overcome this, the valve frame can be fractured by a high-pressure balloon prior to VIV. However, knowledge on fracture pressures and mechanics are prerequisites. The aim of this study was to identify the fracture pressures needed in BHV, and to describe the fracture mechanics. Commonly used BHV of small sizes were mounted on a high-pressure balloon situated in a biplane fluoroscopic system with a high-speed camera. The instant of fracture was captured along with the balloon pressure. The valves were inspected for material protrusion and later dissected for fracture zone investigation and description. The valves with a polymer frame fractured at a lower pressure (8-10 atm) than those with a metal stent (19-26 atm). None of the fractured valves had elements protruding. VIV procedures in small-sized BHV may be performed after prior fracture of the valve frame by high-pressure balloon dilatation. This study provides tentative guidelines for expected balloon sizes and pressures for valve fracturing.

  17. Sandia National Laboratories cask drop test programme: a demonstration of fracture mechanics principles for the prevention of brittle fracture

    International Nuclear Information System (INIS)

    McConnell, P.; Sorenson, K.B.

    1995-01-01

    Sandia National Laboratories recently completed a cask drop test programme. The aims of the programme were (1) to demonstrate the applicability of a fracture mechanics-based methodology for ensuring cask integrity, and (2) to assess the viability of using a ferritic materials for cask containment. The programme consisted of four phases: (i) materials characterisation; (ii) non-destructive examination of the cask; (iii) finite element analyses of the drop events; and (iv) a series of drop tests of a ductile iron cask. The first three phases of the programme provided information for fracture mechanics analyses and predictions for the drop test phase. The drop tests were nominally based upon the IAEA 9 m drop height hypothetical accident scenario although one drop test was from 18 m. All tests were performed in the side drop orientation at a temperature of -29 o C. A circumferential, mid-axis flaw was introduced into the cask body for each drop test. Flaw depth ranged from 19 to 76 mm. Steel saddles were welded to the side wall of the cask to enhance the stresses imposed upon the cask in the region of the introduced flaw. The programme demonstrated the applicability of a fracture mechanics methodology for predicting the conditions under which brittle fracture may occur and thereby the utility of fracture mechanics design for ensuring cask structural integrity by ensuring an appropriate margin of safety. Positive assessments of ductile iron for cask containment and the quality of the casting process for producing ductile iron casks were made. The results of this programme have provided data to support IAEA efforts to develop brittle fracture acceptance criteria for cask containment. (author)

  18. Fracture properties of hydrogenated amorphous silicon carbide thin films

    International Nuclear Information System (INIS)

    Matsuda, Y.; King, S.W.; Bielefeld, J.; Xu, J.; Dauskardt, R.H.

    2012-01-01

    The cohesive fracture properties of hydrogenated amorphous silicon carbide (a-SiC:H) thin films in moist environments are reported. Films with stoichiometric compositions (C/Si ≈ 1) exhibited a decreasing cohesive fracture energy with decreasing film density similar to other silica-based hybrid organic–inorganic films. However, lower density a-SiC:H films with non-stoichiometric compositions (C/Si ≈ 5) exhibited much higher cohesive fracture energy than the films with higher density stoichiometric compositions. One of the non-stoichiometric films exhibited fracture energy (∼9.5 J m −2 ) greater than that of dense silica glasses. The increased fracture energy was due to crack-tip plasticity, as demonstrated by significant pileup formation during nanoindentation and a fracture energy dependence on film thickness. The a-SiC:H films also exhibited a very low sensitivity to moisture-assisted cracking compared with other silica-based hybrid films. A new atomistic fracture model is presented to describe the observed moisture-assisted cracking in terms of the limited Si-O-Si suboxide bond formation that occurs in the films.

  19. Geometry, mechanics and transmissivity of rock fractures

    International Nuclear Information System (INIS)

    Lanaro, F.

    2001-04-01

    This thesis work investigates methods and tools for characterising, testing and modelling the behaviour of rock fractures. Using a 3D-laser-scanning technique, the topography of the surfaces and their position with respect to one another are measured. From the fracture topography, fracture roughness, angularity and aperture are quantified; the major features used for characterisation. The standard deviations for the asperity heights, surface slopes and aperture are determined. These statistical parameters usually increase/decrease according to power laws of the sampling size, and sometimes reach a sill beyond which they become constant. Also the number of contact spots with a certain area decreases according to a power-law function of the area. These power-law relations reveal the self affine fractal nature of roughness and aperture. Roughness is 'persistent' while aperture varies between 'persistent' and 'anti-persistent' probably depending on the degree of match of the fracture walls. The fractal models for roughness, aperture and contact area are used to develop a constitutive model, based on contact mechanics, for describing the fracture normal and shear deformability. The experimental testing results of normal deformability are simulated well by the model whereas fracture shear deformability is not as well modelled. The model predicts well fracture dilation but is too stiff compared to rock samples. A mathematical description of the aperture pattern during shearing is also formulated. The mean value and covariance of the aperture in shearing is calculated and verifies reported observations. The aperture map of samples is inserted in a numerical program for flow calculation. The 'integral transform method' is used for solving the Reynolds' equation; it transforms the fracture transmissivity pattern into a frequency-based function. This closely resembles the power laws that describe fractals. This function can be described directly from the fractal properties of

  20. Probabilistic Fracture Mechanics of Reactor Pressure Vessels with Populations of Flaws

    Energy Technology Data Exchange (ETDEWEB)

    Spencer, Benjamin [Idaho National Lab. (INL), Idaho Falls, ID (United States); Backman, Marie [Univ. of Tennessee, Knoxville, TN (United States); Williams, Paul [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Hoffman, William [Idaho National Lab. (INL), Idaho Falls, ID (United States); Alfonsi, Andrea [Idaho National Lab. (INL), Idaho Falls, ID (United States); Dickson, Terry [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bass, B. Richard [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Klasky, Hilda [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-09-01

    This report documents recent progress in developing a tool that uses the Grizzly and RAVEN codes to perform probabilistic fracture mechanics analyses of reactor pressure vessels in light water reactor nuclear power plants. The Grizzly code is being developed with the goal of creating a general tool that can be applied to study a variety of degradation mechanisms in nuclear power plant components. Because of the central role of the reactor pressure vessel (RPV) in a nuclear power plant, particular emphasis is being placed on developing capabilities to model fracture in embrittled RPVs to aid in the process surrounding decision making relating to life extension of existing plants. A typical RPV contains a large population of pre-existing flaws introduced during the manufacturing process. The use of probabilistic techniques is necessary to assess the likelihood of crack initiation at one or more of these flaws during a transient event. This report documents development and initial testing of a capability to perform probabilistic fracture mechanics of large populations of flaws in RPVs using reduced order models to compute fracture parameters. The work documented here builds on prior efforts to perform probabilistic analyses of a single flaw with uncertain parameters, as well as earlier work to develop deterministic capabilities to model the thermo-mechanical response of the RPV under transient events, and compute fracture mechanics parameters at locations of pre-defined flaws. The capabilities developed as part of this work provide a foundation for future work, which will develop a platform that provides the flexibility needed to consider scenarios that cannot be addressed with the tools used in current practice.

  1. Large-scale atomistic and quantum-mechanical simulations of a Nafion membrane: Morphology, proton solvation and charge transport

    Directory of Open Access Journals (Sweden)

    Pavel V. Komarov

    2013-09-01

    Full Text Available Atomistic and first-principles molecular dynamics simulations are employed to investigate the structure formation in a hydrated Nafion membrane and the solvation and transport of protons in the water channel of the membrane. For the water/Nafion systems containing more than 4 million atoms, it is found that the observed microphase-segregated morphology can be classified as bicontinuous: both majority (hydrophobic and minority (hydrophilic subphases are 3D continuous and organized in an irregular ordered pattern, which is largely similar to that known for a bicontinuous double-diamond structure. The characteristic size of the connected hydrophilic channels is about 25–50 Å, depending on the water content. A thermodynamic decomposition of the potential of mean force and the calculated spectral densities of the hindered translational motions of cations reveal that ion association observed with decreasing temperature is largely an entropic effect related to the loss of low-frequency modes. Based on the results from the atomistic simulation of the morphology of Nafion, we developed a realistic model of ion-conducting hydrophilic channel within the Nafion membrane and studied it with quantum molecular dynamics. The extensive 120 ps-long density functional theory (DFT-based simulations of charge migration in the 1200-atom model of the nanochannel consisting of Nafion chains and water molecules allowed us to observe the bimodality of the van Hove autocorrelation function, which provides the direct evidence of the Grotthuss bond-exchange (hopping mechanism as a significant contributor to the proton conductivity.

  2. Fracture processes and mechanisms of crack growth resistance in human enamel

    Science.gov (United States)

    Bajaj, Devendra; Park, Saejin; Quinn, George D.; Arola, Dwayne

    2010-07-01

    Human enamel has a complex micro-structure that varies with distance from the tooth’s outer surface. But contributions from the microstructure to the fracture toughness and the mechanisms of crack growth resistance have not been explored in detail. In this investigation the apparent fracture toughness of human enamel and the mechanisms of crack growth resistance were evaluated using the indentation fracture approach and an incremental crack growth technique. Indentation cracks were introduced on polished surfaces of enamel at selected distances from the occlusal surface. In addition, an incremental crack growth approach using compact tension specimens was used to quantify the crack growth resistance as a Junction of distance from the occlusal surface. There were significant differences in the apparent toughness estimated using the two approaches, which was attributed to the active crack length and corresponding scale of the toughening mechanisms.

  3. Parallel Atomistic Simulations

    Energy Technology Data Exchange (ETDEWEB)

    HEFFELFINGER,GRANT S.

    2000-01-18

    Algorithms developed to enable the use of atomistic molecular simulation methods with parallel computers are reviewed. Methods appropriate for bonded as well as non-bonded (and charged) interactions are included. While strategies for obtaining parallel molecular simulations have been developed for the full variety of atomistic simulation methods, molecular dynamics and Monte Carlo have received the most attention. Three main types of parallel molecular dynamics simulations have been developed, the replicated data decomposition, the spatial decomposition, and the force decomposition. For Monte Carlo simulations, parallel algorithms have been developed which can be divided into two categories, those which require a modified Markov chain and those which do not. Parallel algorithms developed for other simulation methods such as Gibbs ensemble Monte Carlo, grand canonical molecular dynamics, and Monte Carlo methods for protein structure determination are also reviewed and issues such as how to measure parallel efficiency, especially in the case of parallel Monte Carlo algorithms with modified Markov chains are discussed.

  4. Fracture Mechanics Analyses of Subsurface Defects in Reinforced Carbon-Carbon Joggles Subjected to Thermo-Mechanical Loads

    Science.gov (United States)

    Knight, Norman F., Jr.; Raju, Ivatury S.; Song, Kyongchan

    2011-01-01

    Coating spallation events have been observed along the slip-side joggle region of the Space Shuttle Orbiter wing-leading-edge panels. One potential contributor to the spallation event is a pressure build up within subsurface voids or defects due to volatiles or water vapor entrapped during fabrication, refurbishment, or normal operational use. The influence of entrapped pressure on the thermo-mechanical fracture-mechanics response of reinforced carbon-carbon with subsurface defects is studied. Plane-strain simulations with embedded subsurface defects are performed to characterize the fracture mechanics response for a given defect length when subjected to combined elevated-temperature and subsurface-defect pressure loadings to simulate the unvented defect condition. Various subsurface defect locations of a fixed-length substrate defect are examined for elevated temperature conditions. Fracture mechanics results suggest that entrapped pressure combined with local elevated temperatures have the potential to cause subsurface defect growth and possibly contribute to further material separation or even spallation. For this anomaly to occur, several unusual circumstances would be required making such an outcome unlikely but plausible.

  5. Atomistic simulation on the plastic deformation and fracture of bio-inspired graphene/Ni nanocomposites

    Science.gov (United States)

    Yang, Zhenyu; Wang, Dandan; Lu, Zixing; Hu, Wenjun

    2016-11-01

    Molecular dynamics simulations were performed to investigate the plastic deformation and fracture behaviors of bio-inspired graphene/metal nanocomposites, which have a "brick-and-mortar" nanostructure, consisting of hard graphene single-layers embedded in a soft Ni matrix. The plastic deformation mechanisms of the nanocomposites were analyzed as well as their effects on the mechanical properties with various geometrical variations. It was found that the strength and ductility of the metal matrix can be highly enhanced with the addition of the staggered graphene layers, and the plastic deformation can be attributed to the interfacial sliding, dislocation nucleation, and cracks' combination. The strength of the nanocomposites strongly depends on the length scale of the nanostructure and the interlayer distance as well. In addition, slip at the interface releases the stress in graphene layers, leading to the stress distribution on the graphene more uniform. The present results are expected to contribute to the design of the nanolayered graphene/metal composites with high performance.

  6. Comparative analysis of deterministic and probabilistic fracture mechanical assessment tools

    Energy Technology Data Exchange (ETDEWEB)

    Heckmann, Klaus [Gesellschaft fuer Anlagen- und Reaktorsicherheit (GRS) gGmbH, Koeln (Germany); Saifi, Qais [VTT Technical Research Centre of Finland, Espoo (Finland)

    2016-11-15

    Uncertainties in material properties, manufacturing processes, loading conditions and damage mechanisms complicate the quantification of structural reliability. Probabilistic structure mechanical computing codes serve as tools for assessing leak- and break probabilities of nuclear piping components. Probabilistic fracture mechanical tools were compared in different benchmark activities, usually revealing minor, but systematic discrepancies between results of different codes. In this joint paper, probabilistic fracture mechanical codes are compared. Crack initiation, crack growth and the influence of in-service inspections are analyzed. Example cases for stress corrosion cracking and fatigue in LWR conditions are analyzed. The evolution of annual failure probabilities during simulated operation time is investigated, in order to identify the reasons for differences in the results of different codes. The comparison of the tools is used for further improvements of the codes applied by the partners.

  7. Integration of fracture mechanics and NDE

    International Nuclear Information System (INIS)

    Njo, D.H.; McDonald, N.R.; Nichols, R.W.

    1991-01-01

    This paper addresses issues concerning the effective assessment of the structural integrity of safety related components, principally the primary system, in operating nuclear power plants. The failure mode of greatest safety concern is fracture and this is usually assessed by fracture mechanics (FM) procedures. These require the choice and application of an appropriate analytical method based on a knowledge of the materials, loading and environmental conditions, and characteristics of such defects as have been identified by non destructive examination (NDE). The paper focuses on capabilities and limitations of the NDE procedures, FM methods and other input information which must be taken into account in practical circumstances as well as some problems encountered. It concludes that an integral approach requiring mutual understanding, dialogue and cooperation among the materials, FM and NDE experts is essential for effective and reliable structural integrity assessments

  8. Dislocation climb models from atomistic scheme to dislocation dynamics

    OpenAIRE

    Niu, Xiaohua; Luo, Tao; Lu, Jianfeng; Xiang, Yang

    2016-01-01

    We develop a mesoscopic dislocation dynamics model for vacancy-assisted dislocation climb by upscalings from a stochastic model on the atomistic scale. Our models incorporate microscopic mechanisms of (i) bulk diffusion of vacancies, (ii) vacancy exchange dynamics between bulk and dislocation core, (iii) vacancy pipe diffusion along the dislocation core, and (iv) vacancy attachment-detachment kinetics at jogs leading to the motion of jogs. Our mesoscopic model consists of the vacancy bulk dif...

  9. Fracture Mechanics: Inspirations from Nature

    Directory of Open Access Journals (Sweden)

    David Taylor

    2014-10-01

    Full Text Available In Nature there are many examples of materials performing structural functions. Nature requires materials which are stiff and strong to provide support against various forces, including self-weight, the dynamic forces involved in movement, and external loads such as wind or the actions of a predator. These materials and structures have evolved over millions of years; the science of Biomimetics seeks to understand Nature and, as a result, to find inspiration for the creation of better engineering solutions. There has been relatively little fundamental research work in this area from a fracture mechanics point of view. Natural materials are quite brittle and, as a result, they have evolved several interesting strategies for preventing failure by crack propagation. Fatigue is also a major problem for many animals and plants. In this paper, several examples will be given of recent work in the Bioengineering Research Centre at Trinity College Dublin, investigating fracture and fatigue in such diverse materials as bamboo, the legs and wings of insects, and living cells.

  10. Atomistic Simulation of the Rate-Dependent Ductile-to-Brittle Failure Transition in Bicrystalline Metal Nanowires.

    Science.gov (United States)

    Tao, Weiwei; Cao, Penghui; Park, Harold S

    2018-02-14

    The mechanical properties and plastic deformation mechanisms of metal nanowires have been studied intensely for many years. One of the important yet unresolved challenges in this field is to bridge the gap in properties and deformation mechanisms reported for slow strain rate experiments (∼10 -2 s -1 ), and high strain rate molecular dynamics (MD) simulations (∼10 8 s -1 ) such that a complete understanding of strain rate effects on mechanical deformation and plasticity can be obtained. In this work, we use long time scale atomistic modeling based on potential energy surface exploration to elucidate the atomistic mechanisms governing a strain-rate-dependent incipient plasticity and yielding transition for face centered cubic (FCC) copper and silver nanowires. The transition occurs for both metals with both pristine and rough surfaces for all computationally accessible diameters (ductile-to-brittle transition in failure mode similar to previous experimental studies on bicrystalline silver nanowires is observed, which is driven by differences in dislocation activity and grain boundary mobility as compared to the high strain rate case.

  11. Yield fracture mechanics. Report colloquium of the DFG

    International Nuclear Information System (INIS)

    1992-01-01

    This volume contains 17 lectures, which were given at the Report Colloquium of the DFG at Bonn on November 5th 1992. The main points of yield fracture mechanics were: Theory, experiment technique, transferability, material and structure. (MM) [de

  12. Fracture mechanics analyses of ceramic/veneer interface under mixed-mode loading.

    Science.gov (United States)

    Wang, Gaoqi; Zhang, Song; Bian, Cuirong; Kong, Hui

    2014-11-01

    Few studies have focused on the interface fracture performance of zirconia/veneer bilayered structure, which plays an important role in dental all-ceramic restorations. The purpose of this study was to evaluate the fracture mechanics performance of zirconia/veneer interface in a wide range of mode-mixities (at phase angles ranging from 0° to 90°), and to examine the effect of mechanical properties of the materials and the interface on the fracture initiation and crack path of an interfacial crack. A modified sandwich test configuration with an oblique interfacial crack was proposed and calibrated to choose the appropriate geometry dimensions by means of finite element analysis. The specimens with different interface inclination angles were tested to failure under three-point bending configuration. Interface fracture parameters were obtained with finite element analyses. Based on the interfacial fracture mechanics, three fracture criteria for crack kinking were used to predict crack initiation and propagation. In addition, the effects of residual stresses due to coefficient of thermal expansion mismatch between zirconia and veneer on the crack behavior were evaluated. The crack initiation and propagation were well predicted by the three fracture criteria. For specimens at phase angle of 0, the cracks propagated in the interface; whereas for all the other specimens the cracks kinked into the veneer. Compressive residual stresses in the veneer can improve the toughness of the interface structure. The results suggest that, in zirconia/veneer bilayered structure the veneer is weaker than the interface, which can be used to explain the clinical phenomenon that veneer chipping rate is larger than interface delamination rate. Consequently, a veneer material with larger fracture toughness is needed to decrease the failure rate of all-ceramic restorations. And the coefficient of thermal expansion mismatch of the substrates can be larger to produce larger compressive

  13. Fracture Mechanics Analyses of Reinforced Carbon-Carbon Wing-Leading-Edge Panels

    Science.gov (United States)

    Raju, Ivatury S.; Phillips, Dawn R.; Knight, Norman F., Jr.; Song, Kyongchan

    2010-01-01

    Fracture mechanics analyses of subsurface defects within the joggle regions of the Space Shuttle wing-leading-edge RCC panels are performed. A 2D plane strain idealized joggle finite element model is developed to study the fracture behavior of the panels for three distinct loading conditions - lift-off and ascent, on-orbit, and entry. For lift-off and ascent, an estimated bounding aerodynamic pressure load is used for the analyses, while for on-orbit and entry, thermo-mechanical analyses are performed using the extreme cold and hot temperatures experienced by the panels. In addition, a best estimate for the material stress-free temperature is used in the thermo-mechanical analyses. In the finite element models, the substrate and coating are modeled separately as two distinct materials. Subsurface defects are introduced at the coating-substrate interface and within the substrate. The objective of the fracture mechanics analyses is to evaluate the defect driving forces, which are characterized by the strain energy release rates, and determine if defects can become unstable for each of the loading conditions.

  14. Application of Fracture-Mechanics Approach to Gas Pipelines

    Czech Academy of Sciences Publication Activity Database

    Gajdoš, Lubomír; Šperl, Martin

    VII, č. 73 (2011), s. 480-487 ISSN 2010-376X R&D Projects: GA ČR(CZ) GAP105/10/2052; GA ČR(CZ) GPP105/10/P555 Grant - others:GAMPO(CZ) FT-TA5/076 Program:FT Institutional research plan: CEZ:AV0Z20710524 Keywords : axial crack * fracture-mechanics * J integral * pipeline wall Subject RIV: JL - Materials Fatigue, Friction Mechanics

  15. Clastic patterned ground in Lomonosov crater, Mars: examining fracture controlled formation mechanisms

    Science.gov (United States)

    Barrett, Alexander M.; Balme, Matthew R.; Patel, Manish R.; Hagermann, Axel

    2017-10-01

    The area surrounding Lomonosov crater on Mars has a high density of seemingly organised boulder patterns. These form seemingly sorted polygons and stripes within kilometre scale blockfields, patches of boulder strewn ground which are common across the Martian high latitudes. Several hypotheses have been suggested to explain the formation of clastic patterned ground on Mars. It has been proposed that these structures could have formed through freeze-thaw sorting, or conversely by the interaction of boulders with underlying fracture polygons. In this investigation a series of sites were examined to evaluate whether boulder patterns appear to be controlled by the distribution of underlying fractures and test the fracture control hypotheses for their formation. It was decided to focus on this suite of mechanisms as they are characterised by a clear morphological relationship, namely the presence of an underlying fracture network which can easily be evaluated over a large area. It was found that in the majority of examples at these sites did not exhibit fracture control. Although fractures were present at many sites there were very few sites where the fracture network appeared to be controlling the boulder distribution. In general these were not the sites with the best examples of organization, suggesting that the fracture control mechanisms are not the dominant geomorphic process organising the boulders in this area.

  16. Relating Cohesive Zone Model to Linear Elastic Fracture Mechanics

    Science.gov (United States)

    Wang, John T.

    2010-01-01

    The conditions required for a cohesive zone model (CZM) to predict a failure load of a cracked structure similar to that obtained by a linear elastic fracture mechanics (LEFM) analysis are investigated in this paper. This study clarifies why many different phenomenological cohesive laws can produce similar fracture predictions. Analytical results for five cohesive zone models are obtained, using five different cohesive laws that have the same cohesive work rate (CWR-area under the traction-separation curve) but different maximum tractions. The effect of the maximum traction on the predicted cohesive zone length and the remote applied load at fracture is presented. Similar to the small scale yielding condition for an LEFM analysis to be valid. the cohesive zone length also needs to be much smaller than the crack length. This is a necessary condition for a CZM to obtain a fracture prediction equivalent to an LEFM result.

  17. comparison of elastic-plastic FE method and engineering method for RPV fracture mechanics analysis

    International Nuclear Information System (INIS)

    Sun Yingxue; Zheng Bin; Zhang Fenggang

    2009-01-01

    This paper described the FE analysis of elastic-plastic fracture mechanics for a crack in RPV belt line using ABAQUS code. It calculated and evaluated the stress intensity factor and J integral of crack under PTS transients. The result is also compared with that by engineering analysis method. It shows that the results using engineering analysis method is a little larger than the results using FE analysis of 3D elastic-plastic fracture mechanics, thus the engineering analysis method is conservative than the elastic-plastic fracture mechanics method. (authors)

  18. Atomistic computer simulations a practical guide

    CERN Document Server

    Brazdova, Veronika

    2013-01-01

    Many books explain the theory of atomistic computer simulations; this book teaches you how to run them This introductory ""how to"" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the simulations. As a result, readers will learn how to design the computational model and which parameters o

  19. Use of fracture mechanics in engineering problems

    Energy Technology Data Exchange (ETDEWEB)

    Carter, C S

    1965-02-26

    If an engineering material containing a crack is subjected to a slowly increasing load, applied so that the crack tends to open, a small zone of plastic yielding develops at the crack tip. This zone increases in size with increasing load, and has the effect of resisting the tendency of the crack to extend. The basic concepts of fracture mechanics are outlined and the significance of crack toughness as measured by KDcU and KD1cU which relate the applied stress and crack size for unstable fracture prior to general yielding is discussed. The methods available for crack-toughness evaluation are indicated, and the mathematical expressions describing KDcU and KD1cU for a variety of geometrical situations are quoted. This approach to the design of fracture- resistant structures has been used in a number of fields in the U.S. and could be of value to the British steam turbine, aerospace, and pressure-vessel industries for design, inspection, and material selection. (64 refs.)

  20. Variate generation for probabilistic fracture mechanics and fitness-for-service studies

    International Nuclear Information System (INIS)

    Walker, J.R.

    1987-01-01

    Atomic Energy of Canada Limited is conducting studies in Probabilistic Fracture Mechanics. These studies are being conducted as part of a fitness-for-service programme in support of CANDU reactors. The Monte Carlo analyses, which form part of the Probabilistic Fracture Mechanics studies, require that variates can be sampled from probability density functions. Accurate pseudo-random numbers are necessary for accurate variate generation. This report details the principles of variate generation, and describes the production and testing of pseudo-random numbers. A new algorithm has been produced for the correct performance of the lattice test for the independence of pseudo-random numbers. Two new pseudo-random number generators have been produced. These generators have excellent randomness properties and can be made fully machine-independent. Versions, in FORTRAN, for VAX and CDC computers are given. Accurate and efficient algorithms for the generation of variates from the specialized probability density functions of Probabilistic Fracture Mechanics are given. 38 refs

  1. Rheological Characteristics of Cement Grout and its Effect on Mechanical Properties of a Rock Fracture

    Science.gov (United States)

    Liu, Quansheng; Lei, Guangfeng; Peng, Xingxin; Lu, Chaobo; Wei, Lai

    2018-02-01

    Grouting reinforcement, which has an obvious strengthening effect on fractured rock mass, has been widely used in various fields in geotechnical engineering. The rheological properties of grout will greatly affect its diffusion radius in rock fractures, and the water-cement ratio is an important factor in determining the grouting flow patterns. The relationship between shear stress and shear rate which could reflect the grout rheological properties, the effects of water-cement ratio, and temperature on the rheological properties of grouting was studied in the laboratory. Besides, a new method for producing fractured rock specimens was proposed and solved the problem of producing natural fractured rock specimens. To investigate the influences of grouting on mechanical properties of a rock fracture, the fractured rock specimens made using the new method were reinforced by grouting on the independent designed grouting platform, and then normal and tangential mechanical tests were carried out on fractured rock specimens. The results showed that the mechanical properties of fractured rock mass are significantly improved by grouting, the peak shear strength and residual strength of rock fractures are greatly improved, and the resistance to deformation is enhanced after grouting. Normal forces affect the tangential behavior of the rock fracture, and the tangential stress strength increases with normal forces. The strength and stability of fractured rock mass are increased by grouting reinforcement.

  2. The association between type of spine fracture and the mechanism of trauma: A useful tool for identifying mechanism of trauma on legal medicine field.

    Science.gov (United States)

    Aghakhani, Kamran; Kordrostami, Roya; Memarian, Azadeh; Asl, Nahid Dadashzadeh; Zavareh, Fatemeh Noorian

    2018-05-01

    Determining the association between mechanism of trauma, and the type of spine column fracture is a useful approach for exactly describing spine injury on forensic medicine field. We aimed to determine mechanism of trauma based on distribution of the transition of spinal column fractures. This cross-sectional survey was performed on 117 consecutive patients with the history of spinal trauma who were admitted to emergency ward of Rasoul-e-Akram Hospital in Tehran, Iran from April 2015 to March 2016. The baseline characteristics were collected by reviewing the hospital recorded files. With respect to mechanism of fracture, 63.2% of fractures were caused by falling, 30.8% by collisions with motor vehicles, and others caused by the violence. Regarding site of fracture, lumbosacral was affected in 47.9%, thoracic in 29.9%, and cervical in 13.7%. Regarding type of fracture, burst fracture was the most common type (71.8%) followed by compressive fracture (14.5%). The site of fracture was specifically associated with the mechanism of injury; the most common injuries induced by falling from height were found in lumbosacral and cervical sites, and the most frequent injuries by traffic accidents were found in thoracic site; also the injuries following violence were observed more in lumbar vertebrae. The burst fractures were more revealed in the patients affected by falling from height and by traffic accidents, and both burst and compressive fractures were more observed with the same result in the patients injured with violence (p = 0.003). The type of spine fracture due to trauma is closely associated with the mechanism of trauma that can be helpful in legal medicine to identify the mechanism of trauma in affected patients. Copyright © 2018. Published by Elsevier Ltd.

  3. Effect of hydro mechanical coupling on natural fracture network formation in sedimentary basins

    Science.gov (United States)

    Ouraga, Zady; Guy, Nicolas; Pouya, Amade

    2018-05-01

    In sedimentary basin context, numerous phenomena, depending on the geological time span, can result in natural fracture network formation. In this paper, fracture network and dynamic fracture spacing triggered by significant sedimentation rate are studied considering mode I fracture propagation using a coupled hydro-mechanical numerical methods. The focus is put on synthetic geological structure under a constant sedimentation rate on its top. This model contains vertical fracture network initially closed and homogeneously distributed. The fractures are modelled with cohesive zone model undergoing damage and the flow is described by Poiseuille's law. The effect of the behaviour of the rock is studied and the analysis leads to a pattern of fracture network and fracture spacing in the geological layer.

  4. A method of integration of atomistic simulations and continuum mechanics by collecting of dynamical systems with dimensional reduction

    International Nuclear Information System (INIS)

    Kaczmarek, J.

    2002-01-01

    Elementary processes responsible for phenomena in material are frequently related to scale close to atomic one. Therefore atomistic simulations are important for material sciences. On the other hand continuum mechanics is widely applied in mechanics of materials. It seems inevitable that both methods will gradually integrate. A multiscale method of integration of these approaches called collection of dynamical systems with dimensional reduction is introduced in this work. The dimensional reduction procedure realizes transition between various scale models from an elementary dynamical system (EDS) to a reduced dynamical system (RDS). Mappings which transform variables and forces, skeletal dynamical system (SDS) and a set of approximation and identification methods are main components of this procedure. The skeletal dynamical system is a set of dynamical systems parameterized by some constants and has variables related to the dimensionally reduced model. These constants are identified with the aid of solutions of the elementary dynamical system. As a result we obtain a dimensionally reduced dynamical system which describes phenomena in an averaged way in comparison with the EDS. Concept of integration of atomistic simulations with continuum mechanics consists in using a dynamical system describing evolution of atoms as an elementary dynamical system. Then, we introduce a continuum skeletal dynamical system within the dimensional reduction procedure. In order to construct such a system we have to modify a continuum mechanics formulation to some degree. Namely, we formalize scale of averaging for continuum theory and as a result we consider continuum with finite-dimensional fields only. Then, realization of dimensional reduction is possible. A numerical example of realization of the dimensional reduction procedure is shown. We consider a one dimensional chain of atoms interacting by Lennard-Jones potential. Evolution of this system is described by an elementary

  5. The fracture properties and toughening mechanisms of bone and dentin

    Science.gov (United States)

    Koester, Kurt John

    The mechanical properties of bone and dentin and in particular their fracture properties, are the subject of intense research. The relevance of these properties is increasing as our population ages and fracture incidence impacts the lives of a greater portion of the population. A robust framework is needed to understand the fracture properties of bone and dentin to guide researchers as they attempt to characterize the effects of aging, disease, and pharmaceutical treatments on the properties of these mineralized tissues. In the present work, this framework is provided and applied to human bone, human dentin, and animal bone. In situ electron microscopy was also used to identify the salient toughening mechanisms in bone and dentin. It was found that bone and dentin are extrinsically toughened materials and consequently their fracture properties are best characterized utilizing a crack-growth resistance approach. A description of the different mechanical measurements commonly employed when using small animal models (rats and mice) to evaluate the influence of drug therapies on bone fragility is provided. A study where these properties were measured for a large population of wild-type rats and mice was also conducted. Given my findings, it was determined that for the most complete understanding of small animal bone it was necessary to measure strength and toughness. Strength measurements probe the flaw distribution and toughness measurements to evaluate the resistance to facture in the presence of a single dominant worst-case flaw.

  6. Mechanics of the Delayed Fracture of Viscoelastic Bodies with Cracks: Theory and Experiment (Review)

    Science.gov (United States)

    Kaminsky, A. A.

    2014-09-01

    Theoretical and experimental studies on the deformation and delayed fracture of viscoelastic bodies due to slow subcritical crack growth are reviewed. The focus of this review is on studies of subcritical growth of cracks with well-developed fracture process zones, the conditions that lead to their critical development, and all stages of slow crack growth from initiation to the onset of catastrophic growth. Models, criteria, and methods used to study the delayed fracture of viscoelastic bodies with through and internal cracks are analyzed. Experimental studies of the fracture process zones in polymers using physical and mechanical methods as well as theoretical studies of these zones using fracture mesomechanics models that take into account the structural and rheological features of polymers are reviewed. Particular attention is given to crack growth in anisotropic media, the effect of the aging of viscoelastic materials on their delayed fracture, safe external loads that do not cause cracks to propagate, the mechanism of multiple-flaw fracture of viscoelastic bodies with several cracks and, especially, processes causing cracks to coalesce into a main crack, which may result in a break of the body. Methods and results of solving two- and three-dimensional problems of the mechanics of delayed fracture of aging and non-aging viscoelastic bodies with cracks under constant and variable external loads, wedging, and biaxial loads are given

  7. Fracture mechanics evaluation for at typical PWR primary coolant pipe

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, T. [Kansai Electric Power Company, Osaka (Japan); Shimizu, S.; Ogata, Y. [Mitsubishi Heavy Industries, Ltd., Kobe (Japan)

    1997-04-01

    For the primary coolant piping of PWRs in Japan, cast duplex stainless steel which is excellent in terms of strength, corrosion resistance, and weldability has conventionally been used. The cast duplex stainless steel contains the ferrite phase in the austenite matrix and thermal aging after long term service is known to change its material characteristics. It is considered appropriate to apply the methodology of elastic plastic fracture mechanics for an evaluation of the integrity of the primary coolant piping after thermal aging. Therefore we evaluated the integrity of the primary coolant piping for an initial PWR plant in Japan by means of elastic plastic fracture mechanics. The evaluation results show that the crack will not grow into an unstable fracture and the integrity of the piping will be secured, even when such through wall crack length is assumed to equal the fatigue crack growth length for a service period of up to 60 years.

  8. Fracture mechanics evaluation for at typical PWR primary coolant pipe

    International Nuclear Information System (INIS)

    Tanaka, T.; Shimizu, S.; Ogata, Y.

    1997-01-01

    For the primary coolant piping of PWRs in Japan, cast duplex stainless steel which is excellent in terms of strength, corrosion resistance, and weldability has conventionally been used. The cast duplex stainless steel contains the ferrite phase in the austenite matrix and thermal aging after long term service is known to change its material characteristics. It is considered appropriate to apply the methodology of elastic plastic fracture mechanics for an evaluation of the integrity of the primary coolant piping after thermal aging. Therefore we evaluated the integrity of the primary coolant piping for an initial PWR plant in Japan by means of elastic plastic fracture mechanics. The evaluation results show that the crack will not grow into an unstable fracture and the integrity of the piping will be secured, even when such through wall crack length is assumed to equal the fatigue crack growth length for a service period of up to 60 years

  9. Tissue-Level Mechanical Properties of Bone Contributing to Fracture Risk.

    Science.gov (United States)

    Nyman, Jeffry S; Granke, Mathilde; Singleton, Robert C; Pharr, George M

    2016-08-01

    Tissue-level mechanical properties characterize mechanical behavior independently of microscopic porosity. Specifically, quasi-static nanoindentation provides measurements of modulus (stiffness) and hardness (resistance to yielding) of tissue at the length scale of the lamella, while dynamic nanoindentation assesses time-dependent behavior in the form of storage modulus (stiffness), loss modulus (dampening), and loss factor (ratio of the two). While these properties are useful in establishing how a gene, signaling pathway, or disease of interest affects bone tissue, they generally do not vary with aging after skeletal maturation or with osteoporosis. Heterogeneity in tissue-level mechanical properties or in compositional properties may contribute to fracture risk, but a consensus on whether the contribution is negative or positive has not emerged. In vivo indentation of bone tissue is now possible, and the mechanical resistance to microindentation has the potential for improving fracture risk assessment, though determinants are currently unknown.

  10. Cyclic Fracture Toughness of Railway Axle and Mechanisms of its Fatigue Fracture

    Directory of Open Access Journals (Sweden)

    Sorochak Andriy

    2015-06-01

    Full Text Available The main regularities in fatigue fracture of the railway axle material - the OSL steel - are found in this paper. Micromechanisms of fatigue crack propagation are described and systematized, and a physical-mechanical interpretation of the relief morphology at different stages of crack propagation is proposed for fatigue cracks in specimens cut out of the surface, internal and central layers of the axle.

  11. Tensile properties and fracture mechanism of IN-100 superalloy in high temperature range

    Directory of Open Access Journals (Sweden)

    Milan T. Jovanović

    2017-06-01

    Full Text Available Tensile properties and fracture mechanism of a polycrystalline IN-100 superalloy have been investigated in the range from room temperature to 900°C. Optical microscopy (OM and transmission electron microscopy (TEM applying replica technique were used for microstructural investigation, whereas scanning electron microscopy (SEM was utilized for fracture study. High temperature tensile tests were carried out in vacuumed chamber. Results show that strength increases up to 700°C, and then sharply decreases with further increase in temperature. Elongation increases very slowly (6-7.5% till 500°C, then decreases to 4.5% at 900°C. Change in elongation may be ascribed to a change of fracture mechanism. Appearance of a great number of microvoids prevails up to 500°C resulting in a slow increase of elongation, whereas above this temperature elongation decrease is correlated with intergranular crystallographic fracture and fracture of carbides.

  12. Combining NDE and fracture mechanics by artifical intelligence expert systems techniques

    International Nuclear Information System (INIS)

    Mucciardi, A.N.; Riccardella, P.C.

    1986-01-01

    This paper reports on the development of a PC-based expert system for non-destructive evaluation. Software tools from the expert systems subfield of artificial intelligence are being used to combine both NDE and fracture mechanics algorithms into one, unified package. The system incorporates elements of computer-enhanced ultrasonic signal processing, featuring artificial intelligence learning capability, state-of-the-art fracture mechanics analytical tools, and all relevant metallurgical and design data necessary to emulate the decisions of the panel(s) of experts typically involved in generating and dispositioning NDE data

  13. Elastic-plastic fracture mechanics study of thermal shock cracking

    International Nuclear Information System (INIS)

    Hirano, K.; Kobayashi, H.; Nakazawa, H.

    1980-01-01

    This paper describes thermal shock experiments conducted on a nuclear pressure vessel steel (A533 Grade B Class 1), an AISI304 steel and a tool steel (JIS SKD62) using both a new thermal shock test facility and method. Analysis of their quasi-static thermal stress intensity factors is performed on the basis of linear-elastic fracture mechanics; and a thermal shock fracture toughness value, Ksub(tsc) is evaluated. Then elastic-plastic fracture toughness tests are carried out in the same high temperature range of the thermal shock experiment, and a relation between the stretched zone width, SZW, formed as a result of the fatigue precrack tip plastic blunting and the J-integral is clarified. An elastic-plastic thermal shock fracture toughness value, Jsub(tsc), is evaluated from a critical value of the stretched zone width, SZWsub(tsc), at the initiation of the thermal shock cracking by using the relation between SZW and J. The Jsub(tsc) value is compared with an elastic-plastic fracture toughness value, Jsub(Ic), and the difference between these Jsub(tsc) and Jsub(Ic) values is discussed on the basis of fractography. (author)

  14. Three-dimensional effects in fracture mechanics

    International Nuclear Information System (INIS)

    Benitez, F.G.

    1991-01-01

    An overall view of the pioneering theories and works, which enlighten the three-dimensional nature of fracture mechanics during the last years is given. the main aim is not an exhaustive reviewing but the displaying of the last developments on this scientific field in a natural way. This work attempts to envisage the limits of disregarding the three-dimensional behaviour in theories, analyses and experiments. Moreover, it tries to draw attention on the scant fervour, although increasing, this three-dimensional nature of fracture has among the scientific community. Finally, a constructive discussion is presented on the use of two-dimensional solutions in the analysis of geometries which bear a three-dimensional configuration. the static two-dimensional solutions and its applications fields are reviewed. also, the static three-dimensional solutions, wherein a comparative analysis with elastoplastic and elastostatic solutions are presented. to end up, the dynamic three-dimensional solutions are compared to the asymptotic two-dimensional ones under the practical applications point of view. (author)

  15. A coupled atomistics and discrete dislocation plasticity simulation of nanoindentation into single crystal thin films

    International Nuclear Information System (INIS)

    Miller, Ronald E.; Shilkrot, L.E.; Curtin, William A.

    2004-01-01

    The phenomenon of 2D nanoindentation of circular 'Brinell' indenter into a single crystal metal thin film bonded to a rigid substrate is investigated. The simulation method is the coupled atomistics and discrete dislocation (CADD) model recently developed by the authors. The CADD model couples a continuum region containing any number of discrete dislocations to an atomistic region, and permits accurate, automatic detection and passing of dislocations between the atomistic and continuum regions. The CADD model allows for a detailed study of nanoindentation to large penetration depths (up to 60 A here) using only a small region of atoms just underneath the indenter where dislocation nucleation, cross-slip, and annihilation occur. Indentation of a model hexagonal aluminum crystal shows: (i) the onset of homogeneous dislocation nucleation at points away from the points of maximum resolved shear stress; (ii) size-dependence of the material hardness, (iii) the role of dislocation dissociation on deformation; (iv) reverse plasticity, including nucleation of dislocations on unloading and annihilation; (v) permanent deformation, including surface uplift, after full unloading; (vi) the effects of film thickness on the load-displacement response; and (vii) the differences between displacement and force controlled loading. This application demonstrates the power of the CADD method in capturing both long-range dislocation plasticity and short-range atomistic phenomena. The use of CADD permits for a clear study of the physical and mechanical influence of both complex plastic flow and non-continuum atomistic-level processes on the macroscopic response of material under indentation loading

  16. Scalability of a Low-Cost Multi-Teraflop Linux Cluster for High-End Classical Atomistic and Quantum Mechanical Simulations

    Science.gov (United States)

    Kikuchi, Hideaki; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya; Shimojo, Fuyuki; Saini, Subhash

    2003-01-01

    Scalability of a low-cost, Intel Xeon-based, multi-Teraflop Linux cluster is tested for two high-end scientific applications: Classical atomistic simulation based on the molecular dynamics method and quantum mechanical calculation based on the density functional theory. These scalable parallel applications use space-time multiresolution algorithms and feature computational-space decomposition, wavelet-based adaptive load balancing, and spacefilling-curve-based data compression for scalable I/O. Comparative performance tests are performed on a 1,024-processor Linux cluster and a conventional higher-end parallel supercomputer, 1,184-processor IBM SP4. The results show that the performance of the Linux cluster is comparable to that of the SP4. We also study various effects, such as the sharing of memory and L2 cache among processors, on the performance.

  17. In situ grain fracture mechanics during uniaxial compaction of granular solids

    Science.gov (United States)

    Hurley, R. C.; Lind, J.; Pagan, D. C.; Akin, M. C.; Herbold, E. B.

    2018-03-01

    Grain fracture and crushing are known to influence the macroscopic mechanical behavior of granular materials and be influenced by factors such as grain composition, morphology, and microstructure. In this paper, we investigate grain fracture and crushing by combining synchrotron x-ray computed tomography and three-dimensional x-ray diffraction to study two granular samples undergoing uniaxial compaction. Our measurements provide details of grain kinematics, contacts, average intra-granular stresses, inter-particle forces, and intra-grain crystal and fracture plane orientations. Our analyses elucidate the complex nature of fracture and crushing, showing that: (1) the average stress states of grains prior to fracture vary widely in their relation to global and local trends; (2) fractured grains experience inter-particle forces and stored energies that are statistically higher than intact grains prior to fracture; (3) fracture plane orientations are primarily controlled by average intra-granular stress and contact fabric rather than the orientation of the crystal lattice; (4) the creation of new surfaces during fracture accounts for a very small portion of the energy dissipated during compaction; (5) mixing brittle and ductile grain materials alters the grain-scale fracture response. The results highlight an application of combined x-ray measurements for non-destructive in situ analysis of granular solids and provide details about grain fracture that have important implications for theory and modeling.

  18. Microscale fracture mechanisms of a Cr{sub 3}C{sub 2}-NiCr HVOF coating

    Energy Technology Data Exchange (ETDEWEB)

    Robertson, Andrew L., E-mail: Andrew.robertson99987@gmail.com; White, Ken W.

    2017-03-14

    Thermal spray coatings, often composed of heterogeneous, multiphase microstructures, may, consequently, exhibit complex fracture behavior. For such coating structures, conventional mechanical evaluation methods fail to isolate the contribution of microstructural features to the overall fracture behavior. For this reason, this study employed focused ion beam machined (FIB) microcantilever beams and FIB sectioning methods to study the fracture mechanisms important at the scale of the heterogeneous Cr{sub 3}C{sub 2}-NiCr thermal spray coating. We found three fracture modes, namely, intergranular matrix fracture, matrix/carbide interfacial fracture, and carbide cleavage. By comparison, microindentation-induced cracks, the frequency of crack deflection around carbides is significantly more prevalent at this much larger crack dimension. This mechanistic variation provides some insight into the specific role and limitations of the microcantilever beam technique for fracture characterization of composite microstructures.

  19. Failure conditions from push out tests of a steel-concrete joint: fracture mechanics approach

    Czech Academy of Sciences Publication Activity Database

    Klusák, Jan; Seitl, Stanislav; De Corte, W.; Helincks, P.; Boel, V.; De Schutter, G.

    488-489, - (2012), s. 710-713 ISSN 1013-9826. [International Conference on Fracture and Damage Mechanics - FDM 2011 /10./. Dubrovník, 19.09.2011-21.09.2011] R&D Projects: GA ČR GAP108/10/2049 Institutional research plan: CEZ:AV0Z20410507 Keywords : Push out test * generalized linear elastic fracture mechanics * bi-material notch Subject RIV: JL - Materials Fatigue, Friction Mechanics

  20. Atomistic simulation of solid solution hardening in Mg/Al alloys: Examination of composition scaling and thermo-mechanical relationships

    International Nuclear Information System (INIS)

    Yi, Peng; Cammarata, Robert C.; Falk, Michael L.

    2016-01-01

    Dislocation mobility in a solid solution was studied using atomistic simulations of an Mg/Al system. The critical resolved shear stress (CRSS) for the dislocations on the basal plane was calculated at temperatures from 0 K to 500 K with solute concentrations from 0 to 7 at%, and with four different strain rates. Solute hardening of the CRSS is decomposed into two contributions: one scales with c 2/3 , where c is the solute concentration, and the other scales with c 1 . The former was consistent with the Labusch model for local solute obstacles, and the latter was related to the athermal plateau stress due to the long range solute effect. A thermo-mechanical model was then used to analyze the temperature and strain rate dependences of the CRSS, and it yielded self-consistent and realistic results. The scaling laws were confirmed and the thermo-mechanical model was successfully parameterized using experimental measurements of the CRSS for Mg/Al alloys under quasi-static conditions. The predicted strain rate sensitivity from the experimental measurements of the CRSS is in reasonable agreement with separate mechanical tests. The concentration scaling and the thermo-mechanical relationships provide a potential tool to analytically relate the structural and thermodynamic parameters on the microscopic level with the macroscopic mechanical properties arising from dislocation mediated deformation.

  1. Study on predicting residual life of elevator links by fracture mechanics approach

    Energy Technology Data Exchange (ETDEWEB)

    Li Helin; Zhang Yi; Deng Zengjie [China National Petroleum Corp., Xi`an, Shaanxi (China). Tubular Goods Research Center; Jin Dazeng [Xi`an Jiaotong Univ., Xi`an, Shaanxi (China)

    1995-12-31

    On the basis of investigation, failure and fracture analysis of elevator links, residual life prediction of links using fracture mechanics approach is studied, and mechanical properties, fracture toughness value K{sub IC} and fatigue crack propagation rage da/dN of the steel for elevator links are determined. Using the relation between stress intensity factor K{sub I} and the strain-energy release rate, the two-dimensional conversion thickness finite element method has been used to calculate the stress intensity factors K{sub I} for dangerous sections in the ring part of links. Furthermore, the reliability of calculations of the finite element stress intensity factors K{sub I} for dangerous sections of elevator links and the residual life computation for links are verified by fatigue tests of actual links. Finally, the experimental verification of computed results by 150T link fractured at site indicates that the computed critical crack lengths and residual life tally well with those measured and meet the needs of oil drilling.

  2. Role of fracture mechanics in modern technology

    International Nuclear Information System (INIS)

    Sih, G.C.

    1987-01-01

    The conference served as a forum not only for reviewing past concepts and technologies but it provided an opportunity for many of the designers, engineers and scientists to come forth with more advanced ideas so that fracture mechanics application can be broadened and employed more effectively to avoid unexpected failures that are annoying, costly and destructive of credibility of the engineering community in general

  3. Associations of early premenopausal fractures with subsequent fractures vary by sites and mechanisms of fractures.

    Science.gov (United States)

    Honkanen, R; Tuppurainen, M; Kroger, H; Alhava, E; Puntila, E

    1997-04-01

    In a retrospective population-based study we assessed whether and how self-reported former fractures sustained at the ages of 20-34 are associated with subsequent fractures sustained at the ages of 35-57. The 12,162 women who responded to fracture questions of the baseline postal enquiry (in 1989) of the Kuopio Osteoporosis Study, Finland formed the study population. They reported 589 former and 2092 subsequent fractures. The hazard ratio (HR), with 95% confidence interval (CI), of a subsequent fracture was 1.9 (1.6-2.3) in women with the history of a former fracture compared with women without such a history. A former low-energy wrist fracture was related to subsequent low-energy wrist [HR = 3.7 (2.0-6.8)] and high-energy nonwrist [HR = 2.4 (1.3-4.4)] fractures, whereas former high-energy nonwrist fractures were related only to subsequent high-energy nonwrist [HR = 2.8 (1.9-4.1)] but not to low-energy wrist [HR = 0.7 (0.3-1.8)] fractures. The analysis of bone mineral density (BMD) data of a subsample of premenopausal women who underwent dual x-ray absorptiometry (DXA) during 1989-91 revealed that those with a wrist fracture due to a fall on the same level at the age of 20-34 recorded 6.5% lower spinal (P = 0.140) and 10.5% lower femoral (P = 0.026) BMD than nonfractured women, whereas the corresponding differences for women with a former nonwrist fracture due to high-energy trauma were -1.8% (P = 0.721) and -2.4% (P = 0. 616), respectively. Our results suggest that an early premenopausal, low-energy wrist fracture is an indicator of low peak BMD which predisposes to subsequent fractures in general, whereas early high-energy fractures are mainly indicators of other and more specific extraskeletal factors which mainly predispose to same types of subsequent fractures only.

  4. Computational simulation for creep fracture properties taking microscopic mechanism into account

    International Nuclear Information System (INIS)

    Tabuchi, Masaaki

    2003-01-01

    Relationship between creep crack growth rate and microscopic fracture mechanism i.e., wedge-type intergranular, transgranular and cavity-type intergranular crack growth, has been investigated. The growth rate of wedge-type and transgranular creep crack could be characterized by creep ductility. Creep damages formed ahead of the cavity-type crack tip accelerated the crack growth rate. Based on the experimental results, FEM code that simulates creep crack growth has been developed by taking the fracture mechanism into account. The effect of creep ductility and void formation ahead of the crack tip on creep crack growth behavior could be simulated. (author)

  5. Investigation on fracture behavior and mechanisms of DGEBF toughened by CTBN

    Science.gov (United States)

    Wang, Lulu; Tan, Yefa; Wang, Haitao; Gao, Li; Xiao, Chufan

    2018-05-01

    Carboxyl-terminated butadiene-co-acrylonitrile (CTBN) was used as the toughener to improve the mechanical performance and fracture toughness of diglycidyl ether of bisphenol F (DGEBF) by prereacted approach. The results show that the chemical bonding interface was formed between DGEBF and CTBN particles in the prepolymerization reaction process, which remarkably enhances the fracture toughness of the composites. Based on the qualitative and quantitative analyses, it shows the main toughening mechanisms are the plastic shear banding effect resulted from the plastic deformation of the EP matrix and the plastic void expansion because of the debonding of CTBN particles from the EP matrix.

  6. Atomistic-level non-equilibrium model for chemically reactive systems based on steepest-entropy-ascent quantum thermodynamics

    International Nuclear Information System (INIS)

    Li, Guanchen; Al-Abbasi, Omar; Von Spakovsky, Michael R

    2014-01-01

    This paper outlines an atomistic-level framework for modeling the non-equilibrium behavior of chemically reactive systems. The framework called steepest- entropy-ascent quantum thermodynamics (SEA-QT) is based on the paradigm of intrinsic quantum thermodynamic (IQT), which is a theory that unifies quantum mechanics and thermodynamics into a single discipline with wide applications to the study of non-equilibrium phenomena at the atomistic level. SEA-QT is a novel approach for describing the state of chemically reactive systems as well as the kinetic and dynamic features of the reaction process without any assumptions of near-equilibrium states or weak-interactions with a reservoir or bath. Entropy generation is the basis of the dissipation which takes place internal to the system and is, thus, the driving force of the chemical reaction(s). The SEA-QT non-equilibrium model is able to provide detailed information during the reaction process, providing a picture of the changes occurring in key thermodynamic properties (e.g., the instantaneous species concentrations, entropy and entropy generation, reaction coordinate, chemical affinities, reaction rate, etc). As an illustration, the SEA-QT framework is applied to an atomistic-level chemically reactive system governed by the reaction mechanism F + H 2 ↔ FH + H

  7. Decoupling damage mechanisms in acid-fractured gas/condensate reservoirs

    Energy Technology Data Exchange (ETDEWEB)

    Bachman, R.C.; Walters, D.A. [Taurus Reservoir Solutions Ltd., Calgary, AB (Canada); Settari, A. [Calgary Univ., AB (Canada); Rahim, Z.; Ahmed, M.S. [Saudi Aramco, Dhahran (Saudi Arabia)

    2006-07-01

    The Khuff is a gas condensate field located 11,500 feet beneath the producing Ghawar oil field in Saudi Arabia. Wells are mainly acid fracture stimulated following drilling with excellent fracture conductivity and length properties. The wells experience a quick production loss however, after tie-in which eventually stabilizes after two to five months. In order to identify the source of productivity loss, such as near well liquid dropout, fracture conductivity loss, reservoir permeability loss due to increased effective stress, a study of a well in the Khuff field was conducted. The study reviewed basic geomechanical and reservoir properties and identified the mechanisms of production loss. The paper presented the methodology, data and preliminary analysis, relative permeability and results of the history matching. It was concluded that traditional production type curves in cases with changing skin may indicate that transient flow is occurring when boundary effects are felt. In addition, stress dependent fracture conductivity and reservoir permeability can be modeled with simpler pressure dependent functions for relatively low overall loss in reservoir pressure. 30 refs., 25 figs., 1 appendix.

  8. A unified approach to elastic-plastic fracture mechanics

    International Nuclear Information System (INIS)

    Neale, B.K.; Townley, C.H.A.

    1976-01-01

    To assess the integrity of a cracked structure, using materials data obtained from simple laboratory tests, it is essential to define materials properties which are independent of the shape and the size of the specimen and of the loading system applied to it. In those situations where either the specimen or the structure fails after significant yielding has taken place, there is considerable speculation about the materials parameters which are relevant. By extending the Griffith equation for the stability of a perfectly elastic cracked body, the authors derive a fracture criterion which is applicable in the post yield regime. Comparisons are made with procedures based on the J-contour integral, equivalent energy, and crack opening displacements and with the post yield fracture mechanics of Heald, Spink and Worthington, and Dowling and Townley. For certain materials, it is shown that the factor controlling crack initiation is the fracture toughness Ksub(1c), irrespective of the amount of prior plastic damage, and hence independent of the shape and size of the specimen tested. Load carrying capacity in the post yield regime cannot, however, be derived directly from a knowledge of fracture toughness; the ultimate tensile strength of the material is also relevant

  9. Mechanism and patterns of cervical spine fractures-dislocations in vertebral artery injury

    Directory of Open Access Journals (Sweden)

    Pankaj Gupta

    2012-01-01

    Full Text Available Purpose: To identify the fracture patterns and mechanism of injury, based on subaxial cervical spine injury classification system (SLIC, on non-contrast computed tomography (NCCT of cervical spine predictive of vertebral artery injury (VAI. Patients and Methods: We retrospectively analyzed cervical spine magnetic resonance imaging (MRI of 320 patients who were admitted with cervical spine injury in our level I regional trauma center over a period of two years (April 2010 to April 2012. Diagnosis of VAI was based on hyperintensity replacing the flow void on a T2-weighted axial image. NCCT images of the selected 43 patients with MRI diagnosis of VAI were then assessed for the pattern of injury. The cervical spinal injuries were classified into those involving the C1 and C2 and subaxial spine. For the latter, SLIC was used. Results: A total of 47 VAI were analyzed in 43 patients. Only one patient with VAI on MRI had no detectable abnormality on NCCT. C1 and C2 injuries were found in one and six patients respectively. In subaxial injuries, the most common mechanism of injury was distraction (37.5% with facet dislocation with or without fracture representing the most common pattern of injury (55%. C5 was the single most common affected vertebral level. Extension to foramen transversarium was present in 20 (42.5% cases. Conclusion: CT represents a robust screening tool for patients with VAI. VAI should be suspected in patients with facet dislocation with or without fractures, foramina transversarium fractures and C1-C3 fractures, especially type III odontoid fractures and distraction mechanism of injury.

  10. A Rock Mechanics and Coupled Hydro mechanical Analysis of Geological Repository of High Level Nuclear Waste in Fractured Rocks

    International Nuclear Information System (INIS)

    Min, Kibok

    2011-01-01

    This paper introduces a few case studies on fractured hard rock based on geological data from Sweden, Korea is one of a few countries where crystalline rock is the most promising rock formation as a candidate site of geological repository of high level nuclear waste. Despite the progress made in the area of rock mechanics and coupled hydro mechanics, extensive site specific study on multiple candidate sites is essential in order to choose the optimal site. For many countries concerned about the safe isolation of nuclear wastes from the biosphere, disposal in a deep geological formation is considered an attractive option. In geological repository, thermal loading continuously disturbs the repository system in addition to disturbances a recent development in rock mechanics and coupled hydro mechanical study using DFN(Discrete Fracture Network) - DEM(Discrete Element Method) approach mainly applied in hard, crystalline rock containing numerous fracture which are main sources of deformation and groundwater flow

  11. Atomistic characterization of pseudoelasticity and shape memory in NiTi nanopillars

    International Nuclear Information System (INIS)

    Zhong Yuan; Gall, Ken; Zhu Ting

    2012-01-01

    Molecular dynamics simulations are performed to study the atomistic mechanisms governing the pseudoelasticity and shape memory in nickel–titanium (NiTi) nanostructures. For a 〈1 1 0〉 – oriented nanopillar subjected to compressive loading–unloading, we observe either a pseudoelastic or shape memory response, depending on the applied strain and temperature that control the reversibility of phase transformation and deformation twinning. We show that irreversible twinning arises owing to the dislocation pinning of twin boundaries, while hierarchically twinned microstructures facilitate the reversible twinning. The nanoscale size effects are manifested as the load serration, stress plateau and large hysteresis loop in stress–strain curves that result from the high stresses required to drive the nucleation-controlled phase transformation and deformation twinning in nanosized volumes. Our results underscore the importance of atomistically resolved modeling for understanding the phase and deformation reversibilities that dictate the pseudoelasticity and shape memory behavior in nanostructured shape memory alloys.

  12. The effect of multiaxial stress state on creep behavior and fracture mechanism of P92 steel

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Yuan; Xu, Hong, E-mail: xuhong@ncepu.edu.cn; Ni, Yongzhong; Lan, Xiang; Li, Hongyuan

    2015-06-11

    The creep experiments on plain and double U-typed notched specimens were conducted on P92 steel at 650 °C. The notch strengthening effect was found in the notched specimens. Fracture appearance observed by scanning electron microscopy revealed that dimpled fracture for relatively blunt notched specimen, and dimpled fracture doubled with intergranular brittle fracture for relatively sharp notched specimen, which meant that fracture mechanism of P92 steel altered due to the presence of the notch. Meanwhile, based on Norton–Bailey and Kachanov–Robotnov constitutive models, a modified model was proposed. Finite element simulations were carried out to investigate the effect of multiaxial stress state on the creep behavior, fracture mechanism and damage evolvement of P92 steel. The simulation results agreed well with the fracture behaviors observed experimentally.

  13. Coupled Flow and Mechanics in Porous and Fractured Media*

    Science.gov (United States)

    Martinez, M. J.; Newell, P.; Bishop, J.

    2012-12-01

    Numerical models describing subsurface flow through deformable porous materials are important for understanding and enabling energy security and climate security. Some applications of current interest come from such diverse areas as geologic sequestration of anthropogenic CO2, hydro-fracturing for stimulation of hydrocarbon reservoirs, and modeling electrochemistry-induced swelling of fluid-filled porous electrodes. Induced stress fields in any of these applications can lead to structural failure and fracture. The ultimate goal of this research is to model evolving faults and fracture networks and flow within the networks while coupling to flow and mechanics within the intact porous structure. We report here on a new computational capability for coupling of multiphase porous flow with geomechanics including assessment of over-pressure-induced structural damage. The geomechanics is coupled to the flow via the variation in the fluid pore pressures, whereas the flow problem is coupled to mechanics by the concomitant material strains which alter the pore volume (porosity field) and hence the permeability field. For linear elastic solid mechanics a monolithic coupling strategy is utilized. For nonlinear elastic/plastic and fractured media, a segregated coupling is presented. To facilitate coupling with disparate flow and mechanics time scales, the coupling strategy allows for different time steps in the flow solve compared to the mechanics solve. If time steps are synchronized, the controller allows user-specified intra-time-step iterations. The iterative coupling is dynamically controlled based on a norm measuring the degree of variation in the deformed porosity. The model is applied for evaluation of the integrity of jointed caprock systems during CO2 sequestration operations. Creation or reactivation of joints can lead to enhanced pathways for leakage. Similarly, over-pressures can induce flow along faults. Fluid flow rates in fractures are strongly dependent on the

  14. Atomistic Monte Carlo simulation of lipid membranes

    DEFF Research Database (Denmark)

    Wüstner, Daniel; Sklenar, Heinz

    2014-01-01

    Biological membranes are complex assemblies of many different molecules of which analysis demands a variety of experimental and computational approaches. In this article, we explain challenges and advantages of atomistic Monte Carlo (MC) simulation of lipid membranes. We provide an introduction...... into the various move sets that are implemented in current MC methods for efficient conformational sampling of lipids and other molecules. In the second part, we demonstrate for a concrete example, how an atomistic local-move set can be implemented for MC simulations of phospholipid monomers and bilayer patches...

  15. Discussion on the structural origins of the fracture toughness and hardness changes in rapidly quenched borosilicate glasses: a molecular dynamics study

    International Nuclear Information System (INIS)

    Kieu, L.H.; Kilymis, D.; Delaye, J.M.; Peuget, S.

    2014-01-01

    Understanding radiation effects in nuclear glasses is important in order to assess their long term behaviour in a geological repository. In this paper, the results obtained by classical molecular dynamics about the mechanical properties of a simplified SiO 2 - B 2 O 3 - Na 2 O glass with the same molar proportions as in the real French nuclear glass were reviewed. A pristine and a disordered structure, representative of the irradiated one, were prepared in order to address the question of the radiation effects on the fracture toughness and hardness. In a first step, fracture simulations were performed to compare the atomistic mechanisms in the pristine and disordered glasses. In a second step, nano indentation was simulated using a diamond tip and again the pristine and disordered glass behaviors were compared. The depolymerisation associated to the glass disordering, in particular the increase of the tri-coordinated boron concentration relative to the tetra-coordinated boron concentration improves the fracture resistance by favouring the plastic flows. On the contrary, the swelling of the disordered glass limits the fracture resistance by facilitating the cavity formation. The first effect is dominant in the case of the glass investigated here because, experimentally, the fracture toughness increases after irradiation. Concerning the hardness, both the decrease of the boron coordination in parallel with non-bridging oxygen formation and free volume accumulation lead to a hardness decrease because the more disordered and open structure facilitates the tip penetration. (authors)

  16. Understanding Irreversible Degradation of Nb3Sn Wires with Fundamental Fracture Mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Zhai, Yuhu [PPPL; Calzolaio, Ciro [Univ of Geneva; Senatore, Carmine [Univ of Geneva

    2014-08-01

    Irreversible performance degradation of advanced Nb3Sn superconducting wires subjected to transverse or axial mechanical loading is a critical issue for the design of large-scale fusion and accelerator magnets such as ITER and LHC. Recent SULTAN tests indicate that most cable-in-conduit conductors for ITER coils made of Nb3Sn wires processed by various fabrication techniques show similar performance degradation under cyclic loading. The irreversible degradation due to filament fracture and local strain accumulation in Nb3Sn wires cannot be described by the existing strand scaling law. Fracture mechanic modeling combined with X-ray diffraction imaging of filament micro-crack formation inside the wires under mechanical loading may reveal exciting insights to the wire degradation mechanisms. We apply fundamental fracture mechanics with a singularity approach to study influence of wire filament microstructure of initial void size and distribution to local stress concentration and potential crack propagation. We report impact of the scale and density of the void structure on stress concentration in the composite wire materials for crack initiation. These initial defects result in an irreversible degradation of the critical current beyond certain applied stress. We also discuss options to minimize stress concentration in the design of the material microstructure for enhanced wire performance for future applications.

  17. Generalized linear elastic fracture mechanics: an application to a crack touching the bimaterial interface

    Czech Academy of Sciences Publication Activity Database

    Náhlík, Luboš; Šestáková, L.; Hutař, Pavel; Knésl, Zdeněk

    2011-01-01

    Roč. 452-453, - (2011), s. 445-448 ISSN 1013-9826 R&D Projects: GA AV ČR(CZ) KJB200410803; GA ČR GA101/09/1821 Institutional research plan: CEZ:AV0Z20410507 Keywords : generalized stress intensity factor * bimaterial interface * composite materials * strain energy density factor * fracture criterion * generalized linear elastic fracture mechanics Subject RIV: JL - Materials Fatigue, Friction Mechanics

  18. Mechanical behavior and essential work of fracture of starch-based blown films

    Science.gov (United States)

    Nottez, M.; Chaki, S.; Soulestin, J.; Lacrampe, M. F.; Krawczak, P.

    2015-05-01

    A fracture mechanics approach (Essential Work of Fracture, EWF) was applied to assess the toughness of novel partly starch-grafted polyolefin blown films, compared to that of a neat polyethylene reference. Tests were performed on double-end notched samples. The digital image correlation method was used to monitor the deformation field around the notch. Regular tensile and tear tests were also carried out. The specific essential work of fracture is a characteristic which is much more sensitive to materials structural modifications than the tensile or tear properties.

  19. Stacking order dependent mechanical properties of graphene/MoS{sub 2} bilayer and trilayer heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Elder, Robert M., E-mail: robert.elder26.ctr@mail.mil, E-mail: mahesh.neupane.ctr@mail.mil; Neupane, Mahesh R., E-mail: robert.elder26.ctr@mail.mil, E-mail: mahesh.neupane.ctr@mail.mil; Chantawansri, Tanya L. [U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005 (United States)

    2015-08-17

    Transition metal dichalcogenides (TMDC) such as molybdenum disulfide (MoS{sub 2}) are two-dimensional materials that show promise for flexible electronics and piezoelectric applications, but their weak mechanical strength is a barrier to practical use. In this work, we perform nanoindentation simulations using atomistic molecular dynamics to study the mechanical properties of heterostructures formed by combining MoS{sub 2} with graphene. We consider both bi- and tri-layer heterostructures formed with MoS{sub 2} either supported or encapsulated by graphene. Mechanical properties, such as Young's modulus, bending modulus, ultimate tensile strength, and fracture strain, are extracted from nanoindentation simulations and compared to the monolayer and homogeneous bilayer systems. We observed that the heterostructures, regardless of the stacking order, are mechanically more robust than the mono- and bi-layer MoS{sub 2}, mainly due to the mechanical reinforcement provided by the graphene layer. The magnitudes of ultimate strength and fracture strain are similar for both the bi- and tri-layer heterostructures, but substantially larger than either the mono- and bi-layer MoS{sub 2}. Our results demonstrate the potential of graphene-based heterostructures to improve the mechanical properties of TMDC materials.

  20. Crack-jump mechanism of microvein formation and its implications for stress cyclicity during extension fracturing

    Science.gov (United States)

    Caputo, Riccardo; Hancock, Paul L.

    1998-11-01

    It is well accepted and documented that faulting is produced by the cyclic behaviour of a stress field. Some extension fractures, such as veins characterised by the crack-seal mechanism, have also been presumed to result from repeated stress cycles. In the present note, some commonly observed field phenomena and relationships such as hackle marks and vein and joint spacing, are employed to argue that a stress field can also display cyclic behaviour during extensional fracturing. Indeed, the requirement of critical stress conditions for the occurrence of extensional failure events does not accord with the presence of contemporaneously open nearby parallel fractures. Therefore, because after each fracture event there is stress release within the surrounding volume of rock, high density sets of parallel extensional fractures also strongly support the idea that rocks undergo stress cyclicity during jointing and veining. A comparison with seismological data from earthquakes with dipole mechanical solutions, confirms that this process presently occurs at depth in the Earth crust. Furthermore, in order to explain dense sets of hair-like closely spaced microveins, a crack-jump mechanism is introduced here as an alternative to the crack-seal mechanism. We also propose that as a consequence of medium-scale stress cyclicity during brittle deformation, the re-fracturing of a rock mass occurs in either one or the other of these two possible ways depending on the ratio between the elastic parameters of the sealing material and those of the host rock. The crack-jump mechanism occurs when the former is stronger.

  1. Mechanical strength and analysis of fracture of titanium joining submitted to laser and tig welding

    Directory of Open Access Journals (Sweden)

    Ana Cláudia Gabrielli Piveta

    2012-12-01

    Full Text Available This study compared the tensile strength and fracture mechanism of tungsten inert gas (TIG welds in cylindrical rods of commercially pure titanium (cp Ti with those of laser welds and intact samples. Thirty dumbbell-shaped samples were developed by using brass rods as patterns. The samples were invested in casings, subjected to thermal cycles, and positioned in a plasma arc welding machine under argon atmosphere and vacuum, and titanium was injected under vacuum/pressure. The samples were X-rayed to detect possible welding flaws and randomly assigned to three groups to test the tensile strength and the fracture mechanism: intact, laser welding, and TIG welding. The tensile test results were investigated using ANOVA, which indicated that the samples were statistically similar. The fracture analysis showed that the cpTi samples subjected to laser welding exhibited brittle fracture and those subjected to TIG welding exhibited mixed brittle/ductile fracture with a predominance of ductile fracture with the presence of microcavities and cleavage areas. Intact samples presented the characteristic straightening in the fracture areas, indicating the ductility of the material.

  2. Quantum-based Atomistic Simulation of Transition Metals

    International Nuclear Information System (INIS)

    Moriarty, J A; Benedict, L X; Glosli, J N; Hood, R Q; Orlikowski, D A; Patel, M V; Soderlind, P; Streitz, F H; Tang, M; Yang, L H

    2005-01-01

    First-principles generalized pseudopotential theory (GPT) provides a fundamental basis for transferable multi-ion interatomic potentials in d-electron transition metals within density-functional quantum mechanics. In mid-period bcc metals, where multi-ion angular forces are important to structural properties, simplified model GPT or MGPT potentials have been developed based on canonical d bands to allow analytic forms and large-scale atomistic simulations. Robust, advanced-generation MGPT potentials have now been obtained for Ta and Mo and successfully applied to a wide range of structural, thermodynamic, defect and mechanical properties at both ambient and extreme conditions of pressure and temperature. Recent algorithm improvements have also led to a more general matrix representation of MGPT beyond canonical bands allowing increased accuracy and extension to f-electron actinide metals, an order of magnitude increase in computational speed, and the current development of temperature-dependent potentials

  3. On the atomistic mechanisms of alkane (methane-pentane) separation by distillation: a molecular dynamics study.

    Science.gov (United States)

    Zahn, Dirk

    2007-11-01

    Insights into the liquid-vapor transformation of methane-pentane mixtures were obtained from transition path sampling molecular dynamics simulations. This case study of the boiling of non-azeotropic mixtures demonstrates an unprejudiced identification of the atomistic mechanisms of phase separation in the course of vaporization which form the basis of distillation processes. From our simulations we observe spontaneous segregation events in the liquid mixture to trigger vapor nucleation. The formation of vapor domains stabilizes and further promotes the separation process by preferential evaporation of methane molecules. While this discrimination holds for all mixtures of different composition studied, a full account of the boiling process requires a more complex picture. At low methane concentration the nucleation of the vapor domains includes both methane and pentane molecules. The pentane molecules, however, tend to form small aggregates and undergo rapid re-condensation within picoseconds to nanoseconds scales. Accordingly, two aspects of selectivity accounting for methane-pentane separation in the course of liquid-vapor transformations were made accessible to molecular dynamics simulations: spontaneous segregation in the liquid phase leading to selective vapor nucleation and growth favoring methane vaporization and selective re-condensation of pentane molecules.

  4. Interlocking Friction Governs the Mechanical Fracture of Bilayer MoS2.

    Science.gov (United States)

    Jung, Gang Seob; Wang, Shanshan; Qin, Zhao; Martin-Martinez, Francisco J; Warner, Jamie H; Buehler, Markus J

    2018-04-24

    A molybdenum disulfide (MoS 2 ) layered system is a two-dimensional (2D) material, which is expected to provide the next generation of electronic devices together with graphene and other 2D materials. Due to its significance for future electronics applications, gaining a deep insight into the fundamental mechanisms upon MoS 2 fracture is crucial to prevent mechanical failure toward reliable applications. Here, we report direct experimental observation and atomic modeling of the complex failure behaviors of bilayer MoS 2 originating from highly variable interlayer frictions, elucidated with in situ transmission electron microscopy and large-scale reactive molecular dynamics simulations. Our results provide a systematic understanding of the effects that different stacking and loading conditions have on the failure mechanisms and crack-tip behaviors in the bilayer MoS 2 systems. Our findings unveil essential properties in fracture of this 2D material and provide mechanistic insight into its mechanical failure.

  5. Fracture mechanical analysis of strengthened concrete tension members with one crack

    DEFF Research Database (Denmark)

    Hansen, Christian Skodborg; Stang, Henrik

    2012-01-01

    A concrete tension member strengthened 2 with fiber reinforced polymer plates on two sides 3 is analyzed with non-linear fracture mechanics. The 4 analysis of the strengthened tension member incorpo5 rates cohesive properties for both concrete and inter6 face between concrete and strengthening...... the structural classification parameters, is inves13 tigated in a non-dimensional analysis, and found to 14 depend strongly on the ratio between interfacial and 15 concrete fracture energies....

  6. Hydraulic and mechanical properties of natural fractures in low-permeability rock

    International Nuclear Information System (INIS)

    Pyrack-Nolte, L.J.; Myer, L.R.; Cook, N.G.W.; Witherspoon, P.A.

    1987-01-01

    The results of a comprehensive laboratory study of the mechanical displacement, permeability, and void geometry of single rock fractures in a quartz monzonite are summarized and analyzed. A metal-injection technique was developed that provided quantitative data on the precise geometry of the void spaces between the fracture surfaces and the areas of contact at different stresses. At effective stresses of less than 20 MPa fluid flow was proportional to the mean fracture aperture raised to a power greater than 3. As stress was increased, contact area was increased and void spaces become interconnected by small tortuous channels that constitute the principal impediment to fluid flow. At effective stresses higher than 20 MPa, the mean fracture aperture continued to diminish with increasing stress, but this had little effect on flow because the small tortuous flow channels deformed little with increasing stress

  7. Measurement of residual stresses using fracture mechanics weight functions

    International Nuclear Information System (INIS)

    Fan, Y.

    2000-01-01

    A residual stress measurement method has been developed to quantify through-the-thickness residual stresses. Accurate measurement of residual stresses is crucial for many engineering structures. Fabrication processes such as welding and machining generate residual stresses that are difficult to predict. Residual stresses affect the integrity of structures through promoting failures due to brittle fracture, fatigue, stress corrosion cracking, and wear. In this work, the weight function theory of fracture mechanics is used to measure residual stresses. The weight function theory is an important development in computational fracture mechanics. Stress intensity factors for arbitrary stress distribution on the crack faces can be accurately and efficiently computed for predicting crack growth. This paper demonstrates that the weight functions are equally useful in measuring residual stresses. In this method, an artificial crack is created by a thin cut in a structure containing residual stresses. The cut relieves the residual stresses normal to the crack-face and allows the relieved residual stresses to deform the structure. Strain gages placed adjacent to the cut measure the relieved strains corresponding to incrementally increasing depths of the cut. The weight functions of the cracked body relate the measured strains to the residual stresses normal to the cut within the structure. The procedure details, such as numerical integration of the singular functions in applying the weight function method, will be discussed

  8. Measurement of residual stresses using fracture mechanics weight functions

    International Nuclear Information System (INIS)

    Fan, Y.

    2001-01-01

    A residual stress measurement method has been developed to quantify through-the-thickness residual stresses. Accurate measurement of residual stresses is crucial for many engineering structures. Fabrication processes such as welding and machining generate residual stresses that are difficult to predict. Residual stresses affect the integrity of structures through promoting failures due to brittle fracture, fatigue, stress corrosion cracking, and wear. In this work, the weight function theory of fracture mechanics is used to measure residual stresses. The weight function theory is an important development in computational fracture mechanics. Stress intensity factors for arbitrary stress distribution on the crack faces can be accurately and efficiently computed for predicting crack growth. This paper demonstrates that the weight functions are equally useful in measuring residual stresses. In this method, an artificial crack is created by a thin cut in a structure containing residual stresses. The cut relieves the residual stresses normal to the crack-face and allows the relieved residual stresses to deform the structure. Strain gages placed adjacent to the cut measure the relieved strains corresponding to incrementally increasing depths of the cut. The weight functions of the cracked body relate the measured strains to the residual stresses normal to the cut within the structure. The procedure details, such as numerical integration of the singular functions in applying the weight function method, will be discussed. (author)

  9. Investigation of translaminar fracture in fibrereinforced composite laminates---applicability of linear elastic fracture mechanics and cohesive-zone model

    Science.gov (United States)

    Hou, Fang

    With the extensive application of fiber-reinforced composite laminates in industry, research on the fracture mechanisms of this type of materials have drawn more and more attentions. A variety of fracture theories and models have been developed. Among them, the linear elastic fracture mechanics (LEFM) and cohesive-zone model (CZM) are two widely-accepted fracture models, which have already shown applicability in the fracture analysis of fiber-reinforced composite laminates. However, there remain challenges which prevent further applications of the two fracture models, such as the experimental measurement of fracture resistance. This dissertation primarily focused on the study of the applicability of LEFM and CZM for the fracture analysis of translaminar fracture in fibre-reinforced composite laminates. The research for each fracture model consisted of two sections: the analytical characterization of crack-tip fields and the experimental measurement of fracture resistance parameters. In the study of LEFM, an experimental investigation based on full-field crack-tip displacement measurements was carried out as a way to characterize the subcritical and steady-state crack advances in translaminar fracture of fiber-reinforced composite laminates. Here, the fiber-reinforced composite laminates were approximated as anisotropic solids. The experimental investigation relied on the LEFM theory with a modification with respect to the material anisotropy. Firstly, the full-field crack-tip displacement fields were measured by Digital Image Correlation (DIC). Then two methods, separately based on the stress intensity approach and the energy approach, were developed to measure the crack-tip field parameters from crack-tip displacement fields. The studied crack-tip field parameters included the stress intensity factor, energy release rate and effective crack length. Moreover, the crack-growth resistance curves (R-curves) were constructed with the measured crack-tip field parameters

  10. Unique Mechanism of Chance Fracture in a Young Adult Male

    Directory of Open Access Journals (Sweden)

    Aaron Birch

    2013-03-01

    Full Text Available Since the first description of the Chance fracture in 1948, there have been few case reports ofunique mechanisms causing this classical flexion-extension injury to the spine in motor vehicleaccidents, sports injury, and falls. To our knowledge, this injury has not been reported from a fall withthe mechanistic forces acting laterally on the spine and with spinal support in place. We present a21-year-old male who slid down a flight of stairs onto his side wearing a heavy mountaineering stylebackpack, subsequently sustaining a Chance fracture of his first lumbar vertebrae.

  11. Atomistic and holistic understanding in physics

    International Nuclear Information System (INIS)

    Bohm, A.

    1992-01-01

    Understanding means always reduction to the simpler. In the atomistic understanding the reduction is to the simpler objects. One asks the question: what does it consist of? For instance, one asks: What does the molecule consist of? and the answer is: The molecule consists of electrons and nuclei. Or: what does the nucleus consist of? And the answer is: The nucleus consists of protons and neutrons. The parts in the atomistic understanding are the constituents. In the holistic understanding, the reduction is to the simpler functions, the simpler motions. One asks the question: What does it do? What does the molecule do? What does the nucleus do? And the answer is: The molecule rotates and oscillates. The nucleus rotates and oscillates

  12. An efficient hydro-mechanical model for coupled multi-porosity and discrete fracture porous media

    Science.gov (United States)

    Yan, Xia; Huang, Zhaoqin; Yao, Jun; Li, Yang; Fan, Dongyan; Zhang, Kai

    2018-02-01

    In this paper, a numerical model is developed for coupled analysis of deforming fractured porous media with multiscale fractures. In this model, the macro-fractures are modeled explicitly by the embedded discrete fracture model, and the supporting effects of fluid and fillings in these fractures are represented explicitly in the geomechanics model. On the other hand, matrix and micro-fractures are modeled by a multi-porosity model, which aims to accurately describe the transient matrix-fracture fluid exchange process. A stabilized extended finite element method scheme is developed based on the polynomial pressure projection technique to address the displacement oscillation along macro-fracture boundaries. After that, the mixed space discretization and modified fixed stress sequential implicit methods based on non-matching grids are applied to solve the coupling model. Finally, we demonstrate the accuracy and application of the proposed method to capture the coupled hydro-mechanical impacts of multiscale fractures on fractured porous media.

  13. The radiation swelling effect on fracture properties and fracture mechanisms of irradiated austenitic steels. Part II. Fatigue crack growth rate

    Energy Technology Data Exchange (ETDEWEB)

    Margolin, B., E-mail: margolinbz@yandex.ru; Minkin, A.; Smirnov, V.; Sorokin, A.; Shvetsova, V.; Potapova, V.

    2016-11-15

    The experimental data on the fatigue crack growth rate (FCGR) have been obtained for austenitic steel of 18Cr-10Ni-Ti grade (Russian analog of AISI 321 steel) irradiated up to neutron dose of 150 dpa with various radiation swelling. The performed study of the fracture mechanisms for cracked specimens under cyclic loading has explained why radiation swelling affects weakly FCGR unlike its effect on fracture toughness. Mechanical modeling of fatigue crack growth has been carried out and the dependencies for prediction of FCGR in irradiated austenitic steel with and with no swelling are proposed and verified with the obtained experimental results. As input data for these dependencies, FCGR for unirradiated steel and the tensile mechanical properties for unirradiated and irradiated steels are used.

  14. Comparisons of non-destructive examination standards in the framework of fracture mechanics approach

    International Nuclear Information System (INIS)

    Reale, S.; Corvi, A.

    1993-01-01

    One of the aims of the various Engineering Standards related to Non-destructive Examination (NDE) is to identify and limit some characteristics of defects in a structure, since the degree of damage of a structure can be associated with these defect characteristics. One way that the damage level can be evaluated is by means of Fracture Mechanics. The objective of the present paper is to compare and identify the differences in the flaw acceptance criteria of national NDE Standards so as to suggest some guidelines for a future common European Standard. This paper examines the Standards adopted in France (RCC-MR), Germany (DIN), Italy (ASME) and the UK (BSI). It concentrates on both ultrasonic and radiographic inspection methods. The flaw acceptance criteria in these standards relating to non-destructive tests performed on a component during manufacturing are compared and evaluated by the Fracture Mechanics CEGB R6 procedure. General guidelines and results supporting the significance of the Fracture Mechanics approach are given. (Author)

  15. Fracture behavior and deformation mechanisms under fast neutron irradiation

    International Nuclear Information System (INIS)

    Boutard, J.L.; Dupouy, J.M.

    1980-09-01

    We have established the out-of-pile and in-pile deformation mechanism maps of a 316 stainless steel irradiated in a fast reactor. The knowledge of the dominating deformation mechanism either in post irradiation creep experiments or during the in-pile steady state operating conditions allows to rationalize the apparent discrepancy between the very low out-of-pile ductility and the rather high plastic diametral strains which are obtained in the fast reactor environment without fracture

  16. Results of fracture mechanics tests on PNC SUS 304 plate

    International Nuclear Information System (INIS)

    Mills, W.J.; James, L.A.; Blackburn, L.D.

    1985-08-01

    PNC provided SUS 304 plate to be irradiated in FFTF at about 400 0 C to a target fluence of 5 x 10 21 n/cm 2 (E > 0.1 MeV). The actual irradiation included two basically different exposure levels to assure that information would be available for the exposure of interest. After irradiation, tensile properties, fatigue-crack growth rates and J-integral fracture toughness response were determined. These same properties were also measured for the unirradiated material so radiation damage effects could be characterized. This report presents the results of this program. It is expected that these results would be applicable for detailed fracture analysis of reactor components. Recent advances in elastic-plastic fracture mechanics enable reasonably accurate predictions of failure conditions for flawed stainless steel components. Extensive research has focused on the development of J-integral-based engineering approach for assessing the load carrying capacity of low-strength, high-toughness structural materials. Furthermore, Kanninen, et al., have demonstrated that J-integral concepts can accurately predict the fracture response for full-scale cracked structures manufactured from Type 304 stainless steel

  17. Fracture mechanics applied to the machining of brittle materials

    Energy Technology Data Exchange (ETDEWEB)

    Hiatt, G.D.; Strenkowski, J.S.

    1988-12-01

    Research has begun on incorporating fracture mechanics into a model of the orthogonal cutting of brittle materials. Residual stresses are calculated for the machined material by a combination of Eulerian and Lagrangian finite element models and then used in the calculation of stress intensity factors by the Green`s Function Method.

  18. An atomistic model for cross-linked HNBR elastomers used in seals

    Science.gov (United States)

    Molinari, Nicola; Sutton, Adrian; Stevens, John; Mostofi, Arash

    2015-03-01

    Hydrogenated nitrile butadiene rubber (HNBR) is one of the most common elastomeric materials used for seals in the oil and gas industry. These seals sometimes suffer ``explosive decompression,'' a costly problem in which gases permeate a seal at the elevated temperatures and pressures pertaining in oil and gas wells, leading to rupture when the seal is brought back to the surface. The experimental evidence that HNBR and its unsaturated parent NBR have markedly different swelling properties suggests that cross-linking may occur during hydrogenation of NBR to produce HNBR. We have developed a code compatible with the LAMMPS molecular dynamics package to generate fully atomistic HNBR configurations by hydrogenating initial NBR structures. This can be done with any desired degree of cross-linking. The code uses a model of atomic interactions based on the OPLS-AA force-field. We present calculations of the dependence of a number of bulk properties on the degree of cross-linking. Using our atomistic representations of HNBR and NBR, we hope to develop a better molecular understanding of the mechanisms that result in explosive decompression.

  19. Moisture desorption in mechanically masticated fuels: effects of particle fracturing and fuelbed compaction

    Science.gov (United States)

    Jesse K. Kreye; J.Morgan Varner; Eric E. Knapp

    2012-01-01

    Mechanical mastication is increasingly used as a wildland fuel treatment, reducing standing trees and shrubs to compacted fuelbeds of fractured woody fuels. One major shortcoming in our understanding of these fuelbeds is how particle fracturing influences moisture gain or loss, a primary determinant of fire behaviour. To better understand fuel moisture dynamics, we...

  20. Prediction of retained residual stresses in laboratory fracture mechanics specimens extracted from welded components

    International Nuclear Information System (INIS)

    Hurlston, R.G.; Sherry, A.H.; James, P.; Sharples, J.K.

    2015-01-01

    The measurement of weld material fracture toughness properties is important for the structural integrity assessment of engineering components. However, welds can contain high levels of residual stress and these can be retained in fracture mechanics specimens, particularly when machined from non-stress relieved welds. Retained residual stresses can make the measurement of valid fracture toughness properties difficult. This paper describes the results of analytical work undertaken to investigate factors that can influence the magnitude and distribution of residual stresses retained in fracture mechanics specimen blanks extracted from as-welded ferritic and austenitic stainless steel plates. The results indicate that significant levels of residual stress can be retained in specimen blanks prior to notching, and that the magnitude and distribution of stress is dependent upon material properties, specimen geometry and size, and extraction location through the thickness of the weld. Finite element modelling is shown to provide a useful approach for estimating the level and distributions of retained residual stresses. A new stress partitioning approach has been developed to estimate retained stress levels and results compare favourably with FE analysis and available experimental data. The approach can help guide the selection of specimen geometry and machining strategies to minimise the level of residual stresses retained in fracture mechanics specimen blanks extracted from non stress-relieved welds and thus improve the measurement of weld fracture toughness properties. - Highlights: • A simplified method for generating realistic weld residual stresses has been developed. • It has been shown that significant levels of residual stress can be retained within laboratory fracture mechanics specimens. • The level and distribution is dependant upon material, specimen type, specimen size and extraction location. • A method has been developed to allow estimates of the

  1. Fracture Mechanics Analyses of the Slip-Side Joggle Regions of Wing-Leading-Edge Panels

    Science.gov (United States)

    Raju, Ivatury S.; Knight, Norman F., Jr.; Song, Kyongchan; Phillips, Dawn R.

    2011-01-01

    The Space Shuttle wing-leading edge consists of panels that are made of reinforced carbon-carbon. Coating spallation was observed near the slip-side region of the panels that experience extreme heating. To understand this phenomenon, a root-cause investigation was conducted. As part of that investigation, fracture mechanics analyses of the slip-side joggle regions of the hot panels were conducted. This paper presents an overview of the fracture mechanics analyses.

  2. Fracturing Fluid Leak-off for Deep Volcanic Rock in Zhungeer Basin: Mechanism and Control Method

    Directory of Open Access Journals (Sweden)

    Huang Bo

    2017-01-01

    Full Text Available The deep volcanic reservoir in Zhungeer Basin is buried in over 4000m depth, which is characterized by complex lithology (breccia, andesite, basalt, etc., high elastic modulus and massive natural fractures. During hydraulic fracturing, hydraulic fracture will propagate and natural fractures will be triggered by the increasing net pressure. However, the extension of fractures, especially natural fractures, would aggravate the leak-off effect of fracturing fluid, and consequently decrease the fracturing success rate. 4 out of 12 fracturing wells in the field have failed to add enough proppants due to fluid loss. In order to increase the success rate and efficiency of hydraulic fracturing for deep volcanic reservoir, based on theoretical and experimental method, the mechanism of fracturing fluid leak-off is deeply studied. We propose a dualistic proppant scheme and employ the fluid loss reducer to control the fluid leak-off in macro-fractures and micro-fractures respectively. The proposed technique remarkably improved the success rate in deep volcanic rock fracturing. It bears important theoretical value and practical significance to improve the hydraulic fracturing design for deep volcanic reservoir.

  3. Dynamic characteristics of nanoindentation using atomistic simulation

    International Nuclear Information System (INIS)

    Fang, Te-Hua; Chang, Wen-Yang; Huang, Jian-Jin

    2009-01-01

    Atomistic simulations are used to investigate how the nanoindentation mechanism influences dislocation nucleation under molecular dynamic behavior on the aluminum (0 0 1) surface. The characteristics of molecular dynamics in terms of various nucleation criteria are explored, including various molecular models, a multi-step load/unload cycle, deformation mechanism of atoms, tilt angle of the indenter, and slip vectors. Simulation results show that both the plastic energy and the adhesive force increase with increasing nanoindentation depths. The maximum forces for all indentation depths decrease with increasing multi-step load/unload cycle time. Dislocation nucleation, gliding, and interaction occur along Shockley partials on (1 1 1) slip planes. The indentation force applied along the normal direction, a tilt angle of 0 o , is smaller than the force component that acts on the surface atoms. The corresponding slip vector of the atoms in the (1 1 1) plane has low-energy sessile stair-rod dislocations in the pyramid of intrinsic stacking faults.

  4. Dynamic characteristics of nanoindentation using atomistic simulation

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Te-Hua, E-mail: fang.tehua@msa.hinet.net [Institute of Mechanical and Electromechanical Engineering, National Formosa University, Yunlin 632, Taiwan (China); Chang, Wen-Yang [Microsystems Technology Center, Industrial Technology Research Institute, Tainan 709, Taiwan (China); Huang, Jian-Jin [Institute of Mechanical and Electromechanical Engineering, National Formosa University, Yunlin 632, Taiwan (China)

    2009-06-15

    Atomistic simulations are used to investigate how the nanoindentation mechanism influences dislocation nucleation under molecular dynamic behavior on the aluminum (0 0 1) surface. The characteristics of molecular dynamics in terms of various nucleation criteria are explored, including various molecular models, a multi-step load/unload cycle, deformation mechanism of atoms, tilt angle of the indenter, and slip vectors. Simulation results show that both the plastic energy and the adhesive force increase with increasing nanoindentation depths. The maximum forces for all indentation depths decrease with increasing multi-step load/unload cycle time. Dislocation nucleation, gliding, and interaction occur along Shockley partials on (1 1 1) slip planes. The indentation force applied along the normal direction, a tilt angle of 0{sup o}, is smaller than the force component that acts on the surface atoms. The corresponding slip vector of the atoms in the (1 1 1) plane has low-energy sessile stair-rod dislocations in the pyramid of intrinsic stacking faults.

  5. Atomistic simulations of bulk, surface and interfacial polymer properties

    Science.gov (United States)

    Natarajan, Upendra

    In chapter I, quasi-static molecular mechanics based simulations are used to estimate the activation energy of phenoxy rings flips in the amorphous region of a semicrystalline polyimide. Intra and intermolecular contributions to the flip activation energy, the torsional cooperativity accompanying the flip, and the effect of the flip on the motion in the glassy bulk state, are looked at. Also, comparison of the weighted mean activation energy is made with experimental data from solid state NMR measurements; the simulated value being 17.5 kcal/mol., while the experimental value was observed to be 10.5 kcal/mol. Chapter II deals with construction of random copolymer thin films of styrene-butadiene (SB) and styrene-butadiene-acrylonitrile (SBA). The structure and properties of the free surfaces presented by these thin films are analysed by, the atom mass density profiles, backbone bond orientation function, and the spatial distribution of acrylonitrile groups and styrene rings. The surface energies of SB and SBA are calculated using an atomistic equation and are compared with experimental data in the literature. In chapter III, simulations of polymer-polymer interfaces between like and unlike polymers, specifically cis-polybutadiene (PBD) and atatic polypropylene (PP), are presented. The structure of an incompatible polymer-polymer interface, and the estimation of the thermodynamic work of adhesion and interfacial energy between different incompatible polymers, form the focus here. The work of adhesion is calculated using an atomistic equation and is further used in a macroscopic equation to estimate the interfacial energy. The interfacial energy is compared with typical values for other immiscible systems in the literature. The interfacial energy compared very well with interfacial energy values for a few other immiscible hydrocarbon pairs. In chapter IV, the study proceeds to look at the interactions between nonpolar and polar small molecules with SB and SBA thin

  6. Correlation between high resolution sequence stratigraphy and mechanical stratigraphy for enhanced fracture characteristic prediction

    Science.gov (United States)

    Al Kharusi, Laiyyan M.

    Sequence stratigraphy relates changes in vertical and lateral facies distribution to relative changes in sea level. These relative changes in carbonates effect early diagenesis, types of pores, cementation and dissolution patterns. As a result, in carbonates, relative changes in sea level significantly impact the lithology, porosity, diagenesis, bed and bounding surfaces which are all factors that control fracture patterns. This study explores these relationships by integrating stratigraphy with fracture analysis and petrophysical properties. A special focus is given to the relationship between mechanical boundaries and sequence stratigraphic boundaries in three different settings: (1) Mississippian strata in Sheep Mountain Anticline, Wyoming, (2) Mississippian limestones in St. Louis, Missouri, and (3) Pennsylvanian limestones intermixed with elastics in the Paradox Basin, Utah. The analysis of these sections demonstrate that a fracture hierarchy exists in relation to the sequence stratigraphic hierarchy. The majority of fractures (80%) terminate at genetic unit boundaries or the internal flooding surface that separates the transgressive from regressive hemicycle. Fractures (20%) that do not terminate at genetic unit boundaries or their internal flooding surface terminate at lower order sequence stratigraphic boundaries or their internal flooding surfaces. Secondly, the fracture spacing relates well to bed thickness in mechanical units no greater than 0.5m in thickness but with increasing bed thickness a scatter from the linear trend is observed. In the Paradox Basin the influence of strain on fracture density is illustrated by two sections measured in different strain regimes. The folded strata at Raplee Anticline has higher fracture densities than the flat-lying beds at the Honaker Trail. Cemented low porosity rocks in the Paradox Basin do not show a correlation between fracture pattern and porosity. However velocity and rock stiffness moduli's display a slight

  7. Atomistic modeling of structure II gas hydrate mechanics: Compressibility and equations of state

    Science.gov (United States)

    Vlasic, Thomas M.; Servio, Phillip; Rey, Alejandro D.

    2016-08-01

    This work uses density functional theory (DFT) to investigate the poorly characterized structure II gas hydrates, for various guests (empty, propane, butane, ethane-methane, propane-methane), at the atomistic scale to determine key structure and mechanical properties such as equilibrium lattice volume and bulk modulus. Several equations of state (EOS) for solids (Murnaghan, Birch-Murnaghan, Vinet, Liu) were fitted to energy-volume curves resulting from structure optimization simulations. These EOS, which can be used to characterize the compressional behaviour of gas hydrates, were evaluated in terms of their robustness. The three-parameter Vinet EOS was found to perform just as well if not better than the four-parameter Liu EOS, over the pressure range in this study. As expected, the Murnaghan EOS proved to be the least robust. Furthermore, the equilibrium lattice volumes were found to increase with guest size, with double-guest hydrates showing a larger increase than single-guest hydrates, which has significant implications for the widely used van der Waals and Platteeuw thermodynamic model for gas hydrates. Also, hydrogen bonds prove to be the most likely factor contributing to the resistance of gas hydrates to compression; bulk modulus was found to increase linearly with hydrogen bond density, resulting in a relationship that could be used predictively to determine the bulk modulus of various structure II gas hydrates. Taken together, these results fill a long existing gap in the material chemical physics of these important clathrates.

  8. Atomistic modeling of structure II gas hydrate mechanics: Compressibility and equations of state

    Directory of Open Access Journals (Sweden)

    Thomas M. Vlasic

    2016-08-01

    Full Text Available This work uses density functional theory (DFT to investigate the poorly characterized structure II gas hydrates, for various guests (empty, propane, butane, ethane-methane, propane-methane, at the atomistic scale to determine key structure and mechanical properties such as equilibrium lattice volume and bulk modulus. Several equations of state (EOS for solids (Murnaghan, Birch-Murnaghan, Vinet, Liu were fitted to energy-volume curves resulting from structure optimization simulations. These EOS, which can be used to characterize the compressional behaviour of gas hydrates, were evaluated in terms of their robustness. The three-parameter Vinet EOS was found to perform just as well if not better than the four-parameter Liu EOS, over the pressure range in this study. As expected, the Murnaghan EOS proved to be the least robust. Furthermore, the equilibrium lattice volumes were found to increase with guest size, with double-guest hydrates showing a larger increase than single-guest hydrates, which has significant implications for the widely used van der Waals and Platteeuw thermodynamic model for gas hydrates. Also, hydrogen bonds prove to be the most likely factor contributing to the resistance of gas hydrates to compression; bulk modulus was found to increase linearly with hydrogen bond density, resulting in a relationship that could be used predictively to determine the bulk modulus of various structure II gas hydrates. Taken together, these results fill a long existing gap in the material chemical physics of these important clathrates.

  9. Atomistic modeling of structure II gas hydrate mechanics: Compressibility and equations of state

    Energy Technology Data Exchange (ETDEWEB)

    Vlasic, Thomas M.; Servio, Phillip; Rey, Alejandro D., E-mail: alejandro.rey@mcgill.ca [Department of Chemical Engineering, McGill University, Montreal H3A 0C5 (Canada)

    2016-08-15

    This work uses density functional theory (DFT) to investigate the poorly characterized structure II gas hydrates, for various guests (empty, propane, butane, ethane-methane, propane-methane), at the atomistic scale to determine key structure and mechanical properties such as equilibrium lattice volume and bulk modulus. Several equations of state (EOS) for solids (Murnaghan, Birch-Murnaghan, Vinet, Liu) were fitted to energy-volume curves resulting from structure optimization simulations. These EOS, which can be used to characterize the compressional behaviour of gas hydrates, were evaluated in terms of their robustness. The three-parameter Vinet EOS was found to perform just as well if not better than the four-parameter Liu EOS, over the pressure range in this study. As expected, the Murnaghan EOS proved to be the least robust. Furthermore, the equilibrium lattice volumes were found to increase with guest size, with double-guest hydrates showing a larger increase than single-guest hydrates, which has significant implications for the widely used van der Waals and Platteeuw thermodynamic model for gas hydrates. Also, hydrogen bonds prove to be the most likely factor contributing to the resistance of gas hydrates to compression; bulk modulus was found to increase linearly with hydrogen bond density, resulting in a relationship that could be used predictively to determine the bulk modulus of various structure II gas hydrates. Taken together, these results fill a long existing gap in the material chemical physics of these important clathrates.

  10. An object oriented Python interface for atomistic simulations

    Science.gov (United States)

    Hynninen, T.; Himanen, L.; Parkkinen, V.; Musso, T.; Corander, J.; Foster, A. S.

    2016-01-01

    Programmable simulation environments allow one to monitor and control calculations efficiently and automatically before, during, and after runtime. Environments directly accessible in a programming environment can be interfaced with powerful external analysis tools and extensions to enhance the functionality of the core program, and by incorporating a flexible object based structure, the environments make building and analysing computational setups intuitive. In this work, we present a classical atomistic force field with an interface written in Python language. The program is an extension for an existing object based atomistic simulation environment.

  11. Development of probabilistic fracture mechanics code PASCAL and user's manual

    Energy Technology Data Exchange (ETDEWEB)

    Shibata, Katsuyuki; Onizawa, Kunio [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Li, Yinsheng; Kato, Daisuke [Fuji Research Institute Corporation, Tokyo (Japan)

    2001-03-01

    As a part of the aging and structural integrity research for LWR components, a new PFM (Probabilistic Fracture Mechanics) code PASCAL (PFM Analysis of Structural Components in Aging LWR) has been developed since FY1996. This code evaluates the failure probability of an aged reactor pressure vessel subjected to transient loading such as PTS (Pressurized Thermal Shock). The development of the code has been aimed to improve the accuracy and reliability of analysis by introducing new analysis methodologies and algorithms considering the recent development in the fracture mechanics methodologies and computer performance. The code has some new functions in optimized sampling and cell dividing procedure in stratified Monte Carlo simulation, elastic-plastic fracture criterion of R6 method, extension analysis models in semi-elliptical crack, evaluation of effect of thermal annealing and etc. In addition, an input data generator of temperature and stress distribution time histories was also prepared in the code. Functions and performance of the code have been confirmed based on the verification analyses and some case studies on the influence parameters. The present phase of the development will be completed in FY2000. Thus this report provides the user's manual and theoretical background of the code. (author)

  12. Proceedings of the 20th meeting of the working group on fracture mechanisms

    International Nuclear Information System (INIS)

    1988-01-01

    This volume contains 41 contributions presented at the 20th meeting of the working group on fracture mechanisms. The contributions dealt with the following topics: 1.) mechanical and test fundamentals of crack initiating corrosion processes; 2.) crack formation in water and seawater; 3.) crack formation in the process industry; 4.) hydrogen-induced crack formation; 5.) stress and crack corrosion of rustproof cast alloys; 6.) corrosion-induced crack formation at high temperatures; 7.) experimental and numerical studies on fracture behaviour. 30 contributions were separately integrated in the data base 'ENERGY'. (MM) [de

  13. Fracture mechanics evaluation for the cast duplex stainless steel after thermal aging

    Energy Technology Data Exchange (ETDEWEB)

    Urata, Shigeru [Kansai Electric Power Co., Inc., Osaka (Japan)

    1998-12-31

    For the primary coolant piping of PWRs in Japan, cast duplex stainless steel which is excellent in terms of strength, corrosion resistance, and weldability has conventionally been used. The cast duplex stainless steel contains the ferrite phase in the austenite matrix and thermal aging after long term service is known to change its material characteristics. It is considered appropriate to apply the methodology of elastic plastic fracture mechanics for an evaluation of the integrity of the primary coolant piping after thermal aging. Therefore, we evaluated the integrity of the primary coolant piping for an initial PWR plant in Japan by means of elastic plastic fracture mechanics. The evaluation results show that the crack will not grow into an unstable fracture and the integrity of the piping will be secured, even when such through wall crack length is assumed to equal the fatigue crack growth length for a service period of up to 60 years. (author)

  14. An investigation of the mechanical and hydrologic behavior of tuff fractures under saturated conditions

    International Nuclear Information System (INIS)

    Voss, C.F.; Shotwell, L.R.

    1990-04-01

    The mechanical and hydrologic behavior of natural fractures in a partially welded tuff rock were investigated. Tuff cores, each containing part of the same natural fracture oriented subparallel to the core axis, were subjected a range of stress and hydraulic gradients while simultaneously monitoring changes in the fracture aperture and volumetric flow rate. The fractures were tested in three configurations: intact, mated, and offset. Fracture deformation was nonlinear over the stress range tested with permanent deformation and hysteresis occurring with each loading cycle. The offset samples had larger permanent deformation and significantly reduced normal stiffness at lower stress levels. The cubic flow law appears to be valid for the relatively undisturbed tuff fractures at the scale tested. The cubic law did not explain the observed hydraulic behavior of the offset fractures. 6 refs., 10 figs., 2 tabs

  15. Atomistic simulations of dislocation-precipitate interactions emphasize importance of cross-slip

    International Nuclear Information System (INIS)

    Singh, C.V.; Mateos, A.J.; Warner, D.H.

    2011-01-01

    This work examines the interaction of screw dislocations with Guinier-Preston (GP) zones using atomistic simulations. Both Orowan looping and cross-slip mechanisms are found to control the interactions. Cross-slip, occurring both at zero and finite temperatures, is found to either significantly reduce or enhance precipitate strengthening, depending upon the orientation of the dislocation-GP zone interaction. The orientation dependence, and its dependence on temperature, provides a micromechanical explanation for the experiments of Muraishi et al. (Philos. Mag. A 82 (2002) 2755).

  16. Hot ductility and fracture mechanisms of a structural steel

    International Nuclear Information System (INIS)

    Calvo, J.; Cabrera, J. M.; Prado, J. M.

    2006-01-01

    The hot ductility of a structural steel produced from scrap recycling has been studied to determine the origin of the transverse cracks in the corners that appeared in some billets. Samples extracted both from a billet with transverse cracks and from a billet with no external damage were tested. To evaluate the influence of residual elements and inclusions, the steel was compared to another one impurity free. Reduction in area of the samples tensile tested to the fracture was taken as a measure of the hot ductility. The tests were carried out at temperatures ranging from 1000 degree centigree to 650 degree centigree and at a strain rate of 1.10-3 s-1. The fracture surfaces of the tested samples were observed by scanning electron microscopy in order to determine the embrittling mechanisms that could be acting. The steel with residuals and impurities exhibited lower ductility values for a wider temperature range than the clean steel. The embrittling mechanisms also changed as compared to the impurity free steel. (Author)

  17. Theoretical aspects of fracture mechanics

    Science.gov (United States)

    Atkinson, C.; Craster, R. V.

    1995-03-01

    In this review we try to cover various topics in fracture mechanics in which mathematical analysis can be used both to aid numerical methods and cast light on key features of the stress field. The dominant singular near crack tip stress field can often be parametrized in terms of three parameters K(sub I), K(sub II) and K(sub III) designating three fracture modes each having an angular variation entirely specified for the stress tensor and displacement vector. These results and contact zone models for removing the interpenetration anomaly are described. Generalizations of the above results to viscoelastic media are described. For homogeneous media with constant Poisson's ratio the angular variation of singular crack tip stresses and displacements are shown to be the same for all time and the same inverse square root singularity as occurs in the elastic medium case is found (this being true for a time varying Poisson ratio too). Only the stress intensity factor varies through time dependence of loads and relaxation properties of the medium. For cracks against bimaterial interfaces both the stress singularity and angular form evolve with time as a function of the time dependent properties of the bimaterial. Similar behavior is identified for sharp notches in viscoelastic plates. The near crack tip behavior in material with non-linear stress strain laws is also identified and stress singularities classified in terms of the hardening exponent for power law hardening materials. Again for interface cracks the near crack tip behavior requires careful analysis and it is shown that more than one singular term may be present in the near crack tip stress field. A variety of theory and applications is presented for inhomogeneous elastic media, coupled thermoelasticity etc. Methods based on reciprocal theorems and dual functions which can also aid in getting awkward singular stress behavior from numerical solutions are also reviewed. Finally theoretical calculations of fiber

  18. Elastic dipoles of point defects from atomistic simulations

    Science.gov (United States)

    Varvenne, Céline; Clouet, Emmanuel

    2017-12-01

    The interaction of point defects with an external stress field or with other structural defects is usually well described within continuum elasticity by the elastic dipole approximation. Extraction of the elastic dipoles from atomistic simulations is therefore a fundamental step to connect an atomistic description of the defect with continuum models. This can be done either by a fitting of the point-defect displacement field, by a summation of the Kanzaki forces, or by a linking equation to the residual stress. We perform here a detailed comparison of these different available methods to extract elastic dipoles, and show that they all lead to the same values when the supercell of the atomistic simulations is large enough and when the anharmonic region around the point defect is correctly handled. But, for small simulation cells compatible with ab initio calculations, only the definition through the residual stress appears tractable. The approach is illustrated by considering various point defects (vacancy, self-interstitial, and hydrogen solute atom) in zirconium, using both empirical potentials and ab initio calculations.

  19. Coupled hydro-thermo-mechanical modeling of hydraulic fracturing in quasi-brittle rocks using BPM-DEM

    Directory of Open Access Journals (Sweden)

    Ingrid Tomac

    2017-02-01

    Full Text Available This paper presents an improved understanding of coupled hydro-thermo-mechanical (HTM hydraulic fracturing of quasi-brittle rock using the bonded particle model (BPM within the discrete element method (DEM. BPM has been recently extended by the authors to account for coupled convective–conductive heat flow and transport, and to enable full hydro-thermal fluid–solid coupled modeling. The application of the work is on enhanced geothermal systems (EGSs, and hydraulic fracturing of hot dry rock (HDR is studied in terms of the impact of temperature difference between rock and a flowing fracturing fluid. Micro-mechanical investigation of temperature and fracturing fluid effects on hydraulic fracturing damage in rocks is presented. It was found that fracture is shorter with pronounced secondary microcracking along the main fracture for the case when the convective–conductive thermal heat exchange is considered. First, the convection heat exchange during low-viscosity fluid infiltration in permeable rock around the wellbore causes significant rock cooling, where a finger-like fluid infiltration was observed. Second, fluid infiltration inhibits pressure rise during pumping and delays fracture initiation and propagation. Additionally, thermal damage occurs in the whole area around the wellbore due to rock cooling and cold fluid infiltration. The size of a damaged area around the wellbore increases with decreasing fluid dynamic viscosity. Fluid and rock compressibility ratio was found to have significant effect on the fracture propagation velocity.

  20. The use of the J* integral for non-linear fracture mechanics

    International Nuclear Information System (INIS)

    Hellen, T.K.

    1976-09-01

    The Griffith energy balance criterion, first postulated over 50 years ago, is still the basis of linear elastic fracture mechanics. From this, accurate numerical methods for establishing stress intensity factors and energy release rates have been developed. One such method involves path independent contour integrals about the crack tip. An improved contour integral, designated J* is discussed, and shown to have distinct advantages over others in non-linear strain situations. A number of examples are shown including fractures in thermo-plastic and creep situations. (author)

  1. Approximative determination of failure probabilities in probabilistic fracture mechanics

    International Nuclear Information System (INIS)

    Riesch-Oppermann, H.; Brueckner, A.

    1987-01-01

    The possibility of using FORM in probabilistic fracture mechanics (PFM) is investigated. After a short review of the method and a description of some specific problems occurring in PFM applications, results obtained with FORM for the failure probabilities in a typical PFM problem (fatigue crack growth) are compared with those determined by a Monte Carlo simulation. (orig./HP)

  2. ORNL probabilistic fracture-mechanics code OCA-P

    International Nuclear Information System (INIS)

    Cheverton, R.D.; Ball, D.G.

    1984-01-01

    The computer code OCA-P was developed at the request of the USNRC for the purpose of helping to evaluate the integrity of PWR pressure vessels during overcooling accidents (OCA's). The code can be used for both deterministic and probabilistic fracture-mechanics calculations, and consists essentially of OCA-II and a Monte Carlo routine similar to that developed by Strosnider et al. In the probabilistic mode OCA-P generates a large number of vessels (10 6 more or less), each with a different combination of the various values of the different parameters involved in the analysis of flaw behavior. For each of these vessels a deterministic fracture-mechanics analysis is performed (calculation of K/sub I/, K/sub Ic/, K/sub Ia/) to determine whether vessel failure takes place. The conditional probability of failure is simply the number of vessels that fail divided by the number of vessels generated. OCA-II is used for the deterministic analysis. Basic input to OCA-II includes, among other things, the primry-system pressure transient and the temperature transient for the coolant in the reactor-vessel downcomer. With this and additional information available OCA-II performs a one-dimensional thermal analysis to obtain the temperature distribution in the wall as a function of time and then a one-dimensional linear-elastic stress analysis. OCA-P has been checked against similar codes and is presently being used in the Integrated Pressurized Thermal Shock Program for specific PWR plants

  3. Correlation between self-diffusion in Si and the migration mechanisms of vacancies and self-interstitials: An atomistic study

    International Nuclear Information System (INIS)

    Posselt, M.; Gao, F.; Bracht, H.

    2008-01-01

    The migration of point defects in silicon and the corresponding atomic mobility are investigated by comprehensive classical molecular-dynamics simulations using the Stillinger-Weber potential and the Tersoff potential. In contrast to most of the previous studies both the point defect diffusivity and the self-diffusion coefficient per defect are calculated separately so that the diffusion-correlation factor can be determined. Simulations with both the Stillinger-Weber and the Tersoff potential show that vacancy migration is characterized by the transformation of the tetrahedral vacancy to the split vacancy and vice versa and the diffusion-correlation factor f V is about 0.5. This value was also derived by the statistical diffusion theory under the assumption of the same migration mechanism. The mechanisms of self-interstitial migration are more complex. The detailed study, including a visual analysis and investigations with the nudged elastic band method, reveals a variety of transformations between different self-interstitial configurations. Molecular-dynamics simulations using the Stillinger-Weber potential show that the self-interstitial migration is dominated by a dumbbell mechanism, whereas in the case of the Tersoff potential the interstitialcy mechanism prevails. The corresponding values of the correlation factor f I are different, namely, 0.59 and 0.69 for the dumbbell and the interstitialcy mechanisms, respectively. The latter value is nearly equal to that obtained by the statistical theory which assumes the interstitialcy mechanism. Recent analysis of experimental results demonstrated that in the framework of state-of-the-art diffusion and reaction models the best interpretation of point defect data can be given by assuming f I ≅0.6. The comparison with the present atomistic study leads to the conclusion that the self-interstitial migration in Si should be governed by a dumbbell mechanism

  4. Studying physical properties of deformed intact and fractured rocks by micro-scale hydro-mechanical-seismicity model

    Science.gov (United States)

    Raziperchikolaee, Samin

    The pore pressure variation in an underground formation during hydraulic stimulation of low permeability formations or CO2 sequestration into saline aquifers can induce microseismicity due to fracture generation or pre-existing fracture activation. While the analysis of microseismic data mainly focuses on mapping the location of fractures, the seismic waves generated by the microseismic events also contain information for understanding of fracture mechanisms based on microseismic source analysis. We developed a micro-scale geomechanics, fluid-flow and seismic model that can predict transport and seismic source behavior during rock failure. This model features the incorporation of microseismic source analysis in fractured and intact rock transport properties during possible rock damage and failure. The modeling method considers comprehensive grains and cements interaction through a bonded-particle-model. As a result of grain deformation and microcrack development in the rock sample, forces and displacements in the grains involved in the bond breakage are measured to determine seismic moment tensor. In addition, geometric description of the complex pore structure is regenerated to predict fluid flow behavior of fractured samples. Numerical experiments are conducted for different intact and fractured digital rock samples, representing various mechanical behaviors of rocks and fracture surface properties, to consider their roles on seismic and transport properties of rocks during deformation. Studying rock deformation in detail provides an opportunity to understand the relationship between source mechanism of microseismic events and transport properties of damaged rocks to have a better characterizing of fluid flow behavior in subsurface formations.

  5. Mechanical design optimization of bioabsorbable fixation devices for bone fractures.

    Science.gov (United States)

    Lovald, Scott T; Khraishi, Tariq; Wagner, Jon; Baack, Bret

    2009-03-01

    Bioabsorbable bone plates can eliminate the necessity for a permanent implant when used to fixate fractures of the human mandible. They are currently not in widespread use because of the low strength of the materials and the requisite large volume of the resulting bone plate. The aim of the current study was to discover a minimally invasive bioabsorbable bone plate design that can provide the same mechanical stability as a standard titanium bone plate. A finite element model of a mandible with a fracture in the body region is subjected to bite loads that are common to patients postsurgery. The model is used first to determine benchmark stress and strain values for a titanium plate. These values are then set as the limits within which the bioabsorbable bone plate must comply. The model is then modified to consider a bone plate made of the polymer poly-L/DL-lactide 70/30. An optimization routine is run to determine the smallest volume of bioabsorbable bone plate that can perform and a titanium bone plate when fixating fractures of this considered type. Two design parameters are varied for the bone plate design during the optimization analysis. The analysis determined that a strut style poly-L-lactide-co-DL-lactide plate of 690 mm2 can provide as much mechanical stability as a similar titanium design structure of 172 mm2. The model has determined a bioabsorbable bone plate design that is as strong as a titanium plate when fixating fractures of the load-bearing mandible. This is an intriguing outcome, considering that the polymer material has only 6% of the stiffness of titanium.

  6. An Overview of Innovative Strategies for Fracture Mechanics at NASA Langley Research Center

    Science.gov (United States)

    Ransom, Jonathan B.; Glaessgen, Edward H.; Ratcliffe, James G.

    2010-01-01

    Engineering fracture mechanics has played a vital role in the development and certification of virtually every aerospace vehicle that has been developed since the mid-20th century. NASA Langley Research Center s Durability, Damage Tolerance and Reliability Branch has contributed to the development and implementation of many fracture mechanics methods aimed at predicting and characterizing damage in both metallic and composite materials. This paper presents a selection of computational, analytical and experimental strategies that have been developed by the branch for assessing damage growth under monotonic and cyclic loading and for characterizing the damage tolerance of aerospace structures

  7. Fracture mechanics evaluation of cast duplex stainless steel after thermal aging

    International Nuclear Information System (INIS)

    Tujikura, Y.; Urata, S.

    1999-01-01

    For the primary coolant piping of PWRs in Japan, cast duplex stainless steel, which is excellent in terms of strength, corrosion resistance and weldability, has conventionally been used. Cast duplex stainless steel contains the ferrite phase in the austenite matrix, and thermal aging after long-term service is known to decrease fracture toughness. Therefore, we evaluated the integrity of the primary coolant piping for an initial PWR plant in Japan by means of elastic plastic fracture mechanics. The evaluation results show that the crack will not grow into an unstable fracture and the integrity of the piping will be secure, even when such through-wall crack length is assumed to be as large as the fatigue crack length grown for a service period of up to 60 years. (orig.)

  8. Fracture mechanics evaluation of cast duplex stainless steel after thermal aging

    Energy Technology Data Exchange (ETDEWEB)

    Tujikura, Y.; Urata, S. [Kansai Electr. Power Co., Inc., Osaka (Japan). General Office of Nucl. and Fossil Power Production

    1999-07-01

    For the primary coolant piping of PWRs in Japan, cast duplex stainless steel, which is excellent in terms of strength, corrosion resistance and weldability, has conventionally been used. Cast duplex stainless steel contains the ferrite phase in the austenite matrix, and thermal aging after long-term service is known to decrease fracture toughness. Therefore, we evaluated the integrity of the primary coolant piping for an initial PWR plant in Japan by means of elastic plastic fracture mechanics. The evaluation results show that the crack will not grow into an unstable fracture and the integrity of the piping will be secure, even when such through-wall crack length is assumed to be as large as the fatigue crack length grown for a service period of up to 60 years. (orig.)

  9. CT for diagnosing fractures of the undersurface of the talus and mechanism of injury

    International Nuclear Information System (INIS)

    Okamoto, Hideaki; Shibata, Yoshimori; Nishi, Genzaburo; Tago, Kyoji; Tsuchiya, Daiji; Chiba, Takehiro; Okumura, Hisashi; Ikeda, Takeshi; Wada, Ikuo

    2000-01-01

    Talus fractures whose fracture lines extend to the subtalar joint, except fractures of the neck and the body of the talus, are defined as fractures of the lower portion of the talus. It is difficult to make a correctly diagnosis of inferior fractures of the talus by plain radiography or tomography alone. The author encountered 12 cases of inferior fractures of the talus between 1989 and 1997, and CT imaging in 2 directions, in the horizontal and frontal plane, was useful in making the diagnosis. The correct diagnosis rate was 100%, and differentiation of the site and extent of the fractures was possible. Based on the CT findings, the fractures were classified into 8 types (fractures of the lateral process of the talus, fractures of the medial tubercle, fractures of the posterior process, and combinations of the above, and comminuted fractures). The mechanism of the injuries was also investigated, and the fractures of the lateral process of the talus seemed to have been caused by excessive eversion force on the ankle joint, with the lateral process becoming trapped between the fibula and the calcaneus. Medial tubercle fractures also seemed to be caused by forcible inversion of the ankle, with the tip of the medial malleous impacting and the medial tubercle being trapped between it and the sustentaculum tali. The comminuted fractures seem to have been caused by axial compression added to various of external forces. (K.H.)

  10. CT for diagnosing fractures of the undersurface of the talus and mechanism of injury

    Energy Technology Data Exchange (ETDEWEB)

    Okamoto, Hideaki; Shibata, Yoshimori; Nishi, Genzaburo; Tago, Kyoji; Tsuchiya, Daiji; Chiba, Takehiro; Okumura, Hisashi [Aichiken Koseiren Kainan Hospital, Yatomi (Japan); Ikeda, Takeshi; Wada, Ikuo

    2000-02-01

    Talus fractures whose fracture lines extend to the subtalar joint, except fractures of the neck and the body of the talus, are defined as fractures of the lower portion of the talus. It is difficult to make a correctly diagnosis of inferior fractures of the talus by plain radiography or tomography alone. The author encountered 12 cases of inferior fractures of the talus between 1989 and 1997, and CT imaging in 2 directions, in the horizontal and frontal plane, was useful in making the diagnosis. The correct diagnosis rate was 100%, and differentiation of the site and extent of the fractures was possible. Based on the CT findings, the fractures were classified into 8 types (fractures of the lateral process of the talus, fractures of the medial tubercle, fractures of the posterior process, and combinations of the above, and comminuted fractures). The mechanism of the injuries was also investigated, and the fractures of the lateral process of the talus seemed to have been caused by excessive eversion force on the ankle joint, with the lateral process becoming trapped between the fibula and the calcaneus. Medial tubercle fractures also seemed to be caused by forcible inversion of the ankle, with the tip of the medial malleous impacting and the medial tubercle being trapped between it and the sustentaculum tali. The comminuted fractures seem to have been caused by axial compression added to various of external forces. (K.H.)

  11. Coupled Thermo-Hydro-Mechanical-Chemical Modeling of Water Leak-Off Process during Hydraulic Fracturing in Shale Gas Reservoirs

    Directory of Open Access Journals (Sweden)

    Fei Wang

    2017-11-01

    Full Text Available The water leak-off during hydraulic fracturing in shale gas reservoirs is a complicated transport behavior involving thermal (T, hydrodynamic (H, mechanical (M and chemical (C processes. Although many leak-off models have been published, none of the models fully coupled the transient fluid flow modeling with heat transfer, chemical-potential equilibrium and natural-fracture dilation phenomena. In this paper, a coupled thermo-hydro-mechanical-chemical (THMC model based on non-equilibrium thermodynamics, hydrodynamics, thermo-poroelastic rock mechanics, and non-isothermal chemical-potential equations is presented to simulate the water leak-off process in shale gas reservoirs. The THMC model takes into account a triple-porosity medium, which includes hydraulic fractures, natural fractures and shale matrix. The leak-off simulation with the THMC model involves all the important processes in this triple-porosity medium, including: (1 water transport driven by hydraulic, capillary, chemical and thermal osmotic convections; (2 gas transport induced by both hydraulic pressure driven convection and adsorption; (3 heat transport driven by thermal convection and conduction; and (4 natural-fracture dilation considered as a thermo-poroelastic rock deformation. The fluid and heat transport, coupled with rock deformation, are described by a set of partial differential equations resulting from the conservation of mass, momentum, and energy. The semi-implicit finite-difference algorithm is proposed to solve these equations. The evolution of pressure, temperature, saturation and salinity profiles of hydraulic fractures, natural fractures and matrix is calculated, revealing the multi-field coupled water leak-off process in shale gas reservoirs. The influences of hydraulic pressure, natural-fracture dilation, chemical osmosis and thermal osmosis on water leak-off are investigated. Results from this study are expected to provide a better understanding of the

  12. NDE and fracture mechanics evaluation of bottom-head weld indications in a BWR reactor pressure vessel

    Energy Technology Data Exchange (ETDEWEB)

    Brickstad, B [Swedish Plant Inspectorate, Stockholm (Sweden)

    1988-12-31

    This document deals with the Non Destructive Examination (NDE) and the fracture mechanics evaluation of bottom head welds in a BWR. The NDE equipment is presented, together with the geometry of evaluated flaw regions. After the fracture mechanics evaluation, it appeared that the plant results fulfilled the usual conditions, and the plant was allowed to operate one more year. (TEC).

  13. Atomistic modeling of the structural components of the blood-brain barrier

    Science.gov (United States)

    Glukhova, O. E.; Grishina, O. A.; Slepchenkov, M. M.

    2015-03-01

    Blood-brain barrier, which is a barrage system between the brain and blood vessels, plays a key role in the "isolation" of the brain of unnecessary information, and reduce the "noise" in the interneuron communication. It is known that the barrier function of the BBB strictly depends on the initial state of the organism and changes significantly with age and, especially in developing the "vascular accidents". Disclosure mechanisms of regulation of the barrier function will develop new ways to deliver neurotrophic drugs to the brain in the newborn. The aim of this work is the construction of atomistic models of structural components of the blood-brain barrier to reveal the mechanisms of regulation of the barrier function.

  14. An interbubble fracture mechanism of blister formation on helium-irradiated metals

    International Nuclear Information System (INIS)

    Evans, J.H.

    1977-01-01

    This paper describes a new model of surface blister formation in which a blister is nucleated by the interbubble fracture of highly overpressurized helium bubbles. As in other gas-driven models, the internal release of helium then provides the driving force for blister lid deformation. The high pressures required for the suggested mode of fracture are a result of the difficulty, experienced by the bubbles in acquiring vacancies. By considering the bubble growth mechanisms, the critical conditions for interbubble fracture are shown to depend on the helium dose and energy, the bubble size, and their depth in the irradiated material. These parameters and other aspects of blister formation are discussed on the basis of the proposed model. One important result concerns the position of the fracture plane; because of the usual displacement of damage and helium peaks relative to depth, this plane can lie well beyond the helium peak. Thus, the disagreement inherent in previous gas models between helium range and measured blister lid thickness values can be resolved without recourse to lateral stress arguments. (Auth.)

  15. Model of T-Type Fracture in Coal Fracturing and Analysis of Influence Factors of Fracture Morphology

    Directory of Open Access Journals (Sweden)

    Yuwei Li

    2018-05-01

    Full Text Available Special T-type fractures can be formed when coal is hydraulically fractured and there is currently no relevant theoretical model to calculate and describe them. This paper first establishes the height calculation model of vertical fractures in multi-layered formations and deduces the stress intensity factor (SIF at the upper and lower sides of the fracture in the process of vertical fracture extension. Combined with the fracture tip stress analysis method of fracture mechanics theory, the horizontal bedding is taken into account for tensile and shear failure, and the critical mechanical conditions for the formation of horizontal fracture in coal are obtained. Finally, the model of T-type fracture in coal fracturing is established, and it is verified by fracturing simulation experiments. The model calculation result shows that the increase of vertical fracture height facilitates the increase of horizontal fracture length. The fracture toughness of coal has a significant influence on the length of horizontal fracture and there is a threshold. When the fracture toughness is less than the threshold, the length of horizontal fracture remains unchanged, otherwise, the length of horizontal fracture increases rapidly with the increase of fracture toughness. When the shear strength of the interface between the coalbed and the interlayer increases, the length of the horizontal fracture of the T-type fracture rapidly decreases.

  16. Effects of local mechanical and fracture properties on LBB behavior of a dissimilar metal welded joint in nuclear power plants

    Energy Technology Data Exchange (ETDEWEB)

    Du, L.Y.; Wang, G.Z., E-mail: gzwang@ecust.edu.cn; Xuan, F.Z.; Tu, S.T.

    2013-12-15

    Highlights: • Effect of local mechanical and fracture properties on LBB behavior were investigated. • Considering local mechanical properties leads to slightly high LBB curve. • Use of fracture resistance of base or weld will produce non-conservative LBB result. • Local fracture properties of interface region cannot be ignored in LBB analysis. - Abstract: In this paper, three-dimensional finite element models with and without considering local mechanical properties were built for a dissimilar metal welded joint (DMWJ) connected the safe end to pipe-nozzle of a reactor pressure vessel. The inner circumferential surface cracks were postulated at the interface of A508 steel and buttering Alloy52Mb. Based on the elastic–plastic fracture mechanics theory of J-integral, the crack growth stability was analyzed. The effects of the local mechanical and fracture resistance properties on LBB behavior were investigated. The results show that considering local mechanical properties leads to slightly high LBB curve. For the A508/Alloy52Mb interface region cracks in the DMWJ, if the fracture resistance curve of base metal A508 or the buttering Alloy52Mb is used, the non-conservative (unsafe) LBB assessment result will be produced. With increasing the applied bending moment, the degree of un-conservatism in LBB behavior becomes large. Therefore, to obtain accurate LBB assessment results, the local fracture resistance properties of the interface region should be used.

  17. Effect of the build orientation on the mechanical properties and fracture modes of SLM Ti–6Al–4V

    Energy Technology Data Exchange (ETDEWEB)

    Simonelli, M., E-mail: M.Simonelli@lboro.ac.uk [Department of Materials, Loughborough University, Loughborough LE11 3TU (United Kingdom); Tse, Y.Y. [Department of Materials, Loughborough University, Loughborough LE11 3TU (United Kingdom); Tuck, C. [Additive Manufacturing and 3D Printing Research Group, Faculty of Engineering, The University of Nottingham, Nottingham NG7 2RD (United Kingdom)

    2014-10-20

    Recent research on the additive manufacturing (AM) of Ti alloys has shown that the mechanical properties of the parts are affected by the characteristic microstructure that originates from the AM process. To understand the effect of the microstructure on the tensile properties, selective laser melted (SLM) Ti–6Al–4V samples built in three different orientations were tensile tested. The investigated samples were near fully dense, in two distinct conditions, as-built and stress relieved. It was found that the build orientation affects the tensile properties, and in particular the ductility of the samples. The mechanical anisotropy of the parts was discussed in relation to the crystallographic texture, phase composition and the predominant fracture mechanisms. Fractography and electron backscatter diffraction (EBSD) results indicate that the predominant fracture mechanism is intergranular fracture present along the grain boundaries and thus provide and explain the typical fracture surface features observed in fracture AM Ti–6Al–4V.

  18. Effect of the build orientation on the mechanical properties and fracture modes of SLM Ti–6Al–4V

    International Nuclear Information System (INIS)

    Simonelli, M.; Tse, Y.Y.; Tuck, C.

    2014-01-01

    Recent research on the additive manufacturing (AM) of Ti alloys has shown that the mechanical properties of the parts are affected by the characteristic microstructure that originates from the AM process. To understand the effect of the microstructure on the tensile properties, selective laser melted (SLM) Ti–6Al–4V samples built in three different orientations were tensile tested. The investigated samples were near fully dense, in two distinct conditions, as-built and stress relieved. It was found that the build orientation affects the tensile properties, and in particular the ductility of the samples. The mechanical anisotropy of the parts was discussed in relation to the crystallographic texture, phase composition and the predominant fracture mechanisms. Fractography and electron backscatter diffraction (EBSD) results indicate that the predominant fracture mechanism is intergranular fracture present along the grain boundaries and thus provide and explain the typical fracture surface features observed in fracture AM Ti–6Al–4V

  19. Flexible parallel implicit modelling of coupled thermal-hydraulic-mechanical processes in fractured rocks

    Science.gov (United States)

    Cacace, Mauro; Jacquey, Antoine B.

    2017-09-01

    Theory and numerical implementation describing groundwater flow and the transport of heat and solute mass in fully saturated fractured rocks with elasto-plastic mechanical feedbacks are developed. In our formulation, fractures are considered as being of lower dimension than the hosting deformable porous rock and we consider their hydraulic and mechanical apertures as scaling parameters to ensure continuous exchange of fluid mass and energy within the fracture-solid matrix system. The coupled system of equations is implemented in a new simulator code that makes use of a Galerkin finite-element technique. The code builds on a flexible, object-oriented numerical framework (MOOSE, Multiphysics Object Oriented Simulation Environment) which provides an extensive scalable parallel and implicit coupling to solve for the multiphysics problem. The governing equations of groundwater flow, heat and mass transport, and rock deformation are solved in a weak sense (either by classical Newton-Raphson or by free Jacobian inexact Newton-Krylow schemes) on an underlying unstructured mesh. Nonlinear feedbacks among the active processes are enforced by considering evolving fluid and rock properties depending on the thermo-hydro-mechanical state of the system and the local structure, i.e. degree of connectivity, of the fracture system. A suite of applications is presented to illustrate the flexibility and capability of the new simulator to address problems of increasing complexity and occurring at different spatial (from centimetres to tens of kilometres) and temporal scales (from minutes to hundreds of years).

  20. Near-ideal strength in metal nanotubes revealed by atomistic simulations

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Mingfei; Xiao, Fei [Department of Materials Science, Fudan University, 220 Handan Road, Shanghai 200433 (China); Deng, Chuang, E-mail: dengc@ad.umanitoba.ca [Department of Mechanical and Manufacturing Engineering, The University of Manitoba, 15Gillson Street, Winnipeg, Manitoba R3T 5V6 (Canada)

    2013-12-02

    Here we report extraordinary mechanical properties revealed by atomistic simulations in metal nanotubes with hollow interior that have been long overlooked. Particularly, the yield strength in [1 1 1] Au nanotubes is found to be up to 60% higher than the corresponding solid Au nanowire, which approaches the theoretical ideal strength in Au. Furthermore, a remarkable transition from sharp to smooth yielding is observed in Au nanotubes with decreasing wall thickness. The ultrahigh tensile strength in [1 1 1] Au nanotube might originate from the repulsive image force exerted by the interior surface against dislocation nucleation from the outer surface.

  1. Prediction of forming limit in hydro-mechanical deep drawing of steel sheets using ductile fracture criterion

    Science.gov (United States)

    Oh, S.-T.; Chang, H.-J.; Oh, K. H.; Han, H. N.

    2006-04-01

    It has been observed that the forming limit curve at fracture (FLCF) of steel sheets, with a relatively higher ductility limit have linear shapes, similar to those of a bulk forming process. In contrast, the FLCF of sheets with a relatively lower ductility limit have rather complex shapes approaching the forming limit curve at neck (FLCN) towards the equi-biaxial strain paths. In this study, the FLCFs of steel sheets were measured and compared with the fracture strains predicted from specific ductile fracture criteria, including a criterion suggested by the authors, which can accurately describe FLCFs with both linear and complex shapes. To predict the forming limit for hydro-mechanical deep drawing of steel sheets, the ductile fracture criteria were integrated into a finite element simulation. The simulation, results based on the criterion suggested by authors accurately predicted the experimetal, fracture limits of steel sheets for the hydro-mechanical deep drawing process.

  2. Probabilistic fracture mechanics applied for DHC assessment in the cool-down transients for CANDU pressure tubes

    Energy Technology Data Exchange (ETDEWEB)

    Radu, Vasile, E-mail: vasile.radu@nuclear.ro [Institute for Nuclear Research Pitesti, 1st Campului Street, 115400 Mioveni, Arges, P.O. Box 78, Mioveni (Romania); Roth, Maria [Institute for Nuclear Research Pitesti, 1st Campului Street, 115400 Mioveni, Arges, P.O. Box 78, Mioveni (Romania)

    2012-12-15

    For CANDU pressure tubes made from Zr-2.5%Nb alloy, the mechanism called delayed hydride cracking (DHC) is widely recognized as main mechanism responsible for crack initiation and propagation in the pipe wall. Generation of some blunt flaws at the inner pressure tube surface during refueling by fuel bundle bearing pad or by debris fretting, combined with hydrogen/deuterium up-take (20-40 ppm) from normal corrosion process with coolant, may lead to crack initiation and growth. The process is governed by hydrogen hysteresis of terminal solid solubility limits in Zirconium and the diffusion of hydrogen atoms in the stress gradient near to a stress spot (flaw). Creep and irradiation growth under normal operating conditions promote the specific mechanisms for Zirconium alloys, which result in circumferential expansion, accompanied by wall thinning and length increasing. These complicate damage mechanisms in the case of CANDU pressure tubes that are also are affected by irradiation environment in the reactor core. The structural integrity assessment of CANDU fuel channels is based on the technical requirements and methodology stated in the Canadian Standard N285.8. Usually it works with fracture mechanics principles in a deterministic manner. However, there are inherent uncertainties from the in-service inspection, which are associated with those from material properties determination; therefore a necessary conservatism in deterministic evaluation should be used. Probabilistic approach, based on fracture mechanics principle and appropriate limit state functions defined as fracture criteria, appears as a promising complementary way to evaluate structural integrity of CANDU pressure tubes. To perform this, one has to account for the uncertainties that are associated with the main parameters for pressure tube assessment, such as: flaws distribution and sizing, initial hydrogen concentration, fracture toughness, DHC rate and dimensional changes induced by long term

  3. Analysis of the applicability of fracture mechanics on the basis of large scale specimen testing

    International Nuclear Information System (INIS)

    Brumovsky, M.; Polachova, H.; Sulc, J.; Anikovskij, V.; Dragunov, Y.; Rivkin, E.; Filatov, V.

    1988-01-01

    The verification is dealt with of fracture mechanics calculations for WWER reactor pressure vessels by large scale model testing performed on the large testing machine ZZ 8000 (maximum load of 80 MN) in the Skoda Concern. The results of testing a large set of large scale test specimens with surface crack-type defects are presented. The nominal thickness of the specimens was 150 mm with defect depths between 15 and 100 mm, the testing temperature varying between -30 and +80 degC (i.e., in the temperature interval of T ko ±50 degC). Specimens with a scale of 1:8 and 1:12 were also tested, as well as standard (CT and TPB) specimens. Comparisons of results of testing and calculations suggest some conservatism of calculations (especially for small defects) based on Linear Elastic Fracture Mechanics, according to the Nuclear Reactor Pressure Vessel Codes which use the fracture mechanics values from J IC testing. On the basis of large scale tests the ''Defect Analysis Diagram'' was constructed and recommended for brittle fracture assessment of reactor pressure vessels. (author). 7 figs., 2 tabs., 3 refs

  4. Mechanical properties of highly defective graphene: from brittle rupture to ductile fracture.

    Science.gov (United States)

    Xu, Lanqing; Wei, Ning; Zheng, Yongping

    2013-12-20

    Defects are generally believed to deteriorate the superlative performance of graphene-based devices but may also be useful when carefully engineered to tailor the local properties and achieve new functionalities. Central to most defect-associated applications is the defect coverage and arrangement. In this work, we investigate, by molecular dynamics simulations, the mechanical properties and fracture dynamics of graphene sheets with randomly distributed vacancies or Stone-Wales defects under tensile deformations over a wide defect coverage range. With defects presented, an sp-sp(2) bonding network and an sp-sp(2)-sp(3) bonding network are observed in vacancy-defected and Stone-Wales-defected graphene, respectively. The ultimate strength degrades gradually with increasing defect coverage and saturates in the high-ratio regime, whereas the fracture strain presents an unusual descending-saturating-improving trend. In the dense vacancy defect situation, the fracture becomes more plastic and super-ductility is observed. Further fracture dynamics analysis reveals that the crack trapping by sp-sp(2) and sp-sp(2)-sp(3) rings and the crack-tip blunting account for the ductile fracture, whereas geometric rearrangement on the entire sheet for vacancy defects and geometric rearrangement on the specific defect sites for Stone-Wales defects account for their distinctive rules of the evolution of the fracture strain.

  5. Hydro-mechanical coupled simulation of hydraulic fracturing using the eXtended Finite Element Method (XFEM)

    Science.gov (United States)

    Youn, Dong Joon

    This thesis presents the development and validation of an advanced hydro-mechanical coupled finite element program analyzing hydraulic fracture propagation within unconventional hydrocarbon formations under various conditions. The realistic modeling of hydraulic fracturing is necessarily required to improve the understanding and efficiency of the stimulation technique. Such modeling remains highly challenging, however, due to factors including the complexity of fracture propagation mechanisms, the coupled behavior of fracture displacement and fluid pressure, the interactions between pre-existing natural and initiated hydraulic fractures and the formation heterogeneity of the target reservoir. In this research, an eXtended Finite Element Method (XFEM) scheme is developed allowing for representation of single or multiple fracture propagations without any need for re-meshing. Also, the coupled flows through the fracture are considered in the program to account for their influence on stresses and deformations along the hydraulic fracture. In this research, a sequential coupling scheme is applied to estimate fracture aperture and fluid pressure with the XFEM. Later, the coupled XFEM program is used to estimate wellbore bottomhole pressure during fracture propagation, and the pressure variations are analyzed to determine the geometry and performance of the hydraulic fracturing as pressure leak-off test. Finally, material heterogeneity is included into the XFEM program to check the effect of random formation property distributions to the hydraulic fracture geometry. Random field theory is used to create the random realization of the material heterogeneity with the consideration of mean, standard deviation, and property correlation length. These analyses lead to probabilistic information on the response of unconventional reservoirs and offer a more scientific approach regarding risk management for the unconventional reservoir stimulation. The new stochastic approach

  6. Fracture propagation in sandstone and slate – Laboratory experiments, acoustic emissions and fracture mechanics

    Directory of Open Access Journals (Sweden)

    Ferdinand Stoeckhert

    2015-06-01

    Full Text Available Fracturing of highly anisotropic rocks is a problem often encountered in the stimulation of unconventional hydrocarbon or geothermal reservoirs by hydraulic fracturing. Fracture propagation in isotropic material is well understood but strictly isotropic rocks are rarely found in nature. This study aims at the examination of fracture initiation and propagation processes in a highly anisotropic rock, specifically slate. We performed a series of tensile fracturing laboratory experiments under uniaxial as well as triaxial loading. Cubic specimens with edge lengths of 150 mm and a central borehole with a diameter of 13 mm were prepared from Fredeburg slate. An experiment using the rather isotropic Bebertal sandstone as a rather isotropic rock was also performed for comparison. Tensile fractures were generated using the sleeve fracturing technique, in which a polymer tube placed inside the borehole is pressurized to generate tensile fractures emanating from the borehole. In the uniaxial test series, the loading was varied in order to observe the transition from strength-dominated fracture propagation at low loading magnitudes to stress-dominated fracture propagation at high loading magnitudes.

  7. Fluid-driven fracture propagation in heterogeneous media: Probability distributions of fracture trajectories.

    Science.gov (United States)

    Santillán, David; Mosquera, Juan-Carlos; Cueto-Felgueroso, Luis

    2017-11-01

    Hydraulic fracture trajectories in rocks and other materials are highly affected by spatial heterogeneity in their mechanical properties. Understanding the complexity and structure of fluid-driven fractures and their deviation from the predictions of homogenized theories is a practical problem in engineering and geoscience. We conduct a Monte Carlo simulation study to characterize the influence of heterogeneous mechanical properties on the trajectories of hydraulic fractures propagating in elastic media. We generate a large number of random fields of mechanical properties and simulate pressure-driven fracture propagation using a phase-field model. We model the mechanical response of the material as that of an elastic isotropic material with heterogeneous Young modulus and Griffith energy release rate, assuming that fractures propagate in the toughness-dominated regime. Our study shows that the variance and the spatial covariance of the mechanical properties are controlling factors in the tortuousness of the fracture paths. We characterize the deviation of fracture paths from the homogenous case statistically, and conclude that the maximum deviation grows linearly with the distance from the injection point. Additionally, fracture path deviations seem to be normally distributed, suggesting that fracture propagation in the toughness-dominated regime may be described as a random walk.

  8. Dependence of mechanical characteristics from composition and structure and optimization of mechanical fracture energy of polymer composite material based on high-molecular rubbers

    Directory of Open Access Journals (Sweden)

    E. Nurullaev

    2017-07-01

    Full Text Available By means of numerical experiment the authors investigate dependence of conventional rupturing stress and mechanical fracture energy at uniaxial tension from fractional composition of dispersed filler, plasticizer volume fraction in polymer binder, effective density of transverse bonds, applied to development of covering for different purposes and with advanced service life in temperature range from 223 to 323 K. They compare mechanical characteristics of polymer composite materials (PCMs based on high- and low-molecular rubbers. It was shown that rupturing stress of high-molecular rubber-based PCM is of a higher magnitude than the stress of low-molecular rubber-based one at almost invariable rupturing deformation. Numerical simulation by variation of composition parameters and molecular structure enables evaluation of its maximum fracture energy which is 1000 times higher than mechanical fracture energy of similar composites based on low-molecular rubbers.

  9. Thermo-hydro-mechanical simulation of a 3D fractured porous rock: preliminary study of coupled matrix-fracture hydraulics

    International Nuclear Information System (INIS)

    Canamon, I.; Javier Elorza, F.; Ababou, R.

    2007-01-01

    We present a problem involving the modeling of coupled flow and elastic strain in a 3D fractured porous rock, which requires prior homogenization (up-scaling) of the fractured medium into an equivalent Darcian anisotropic continuum. The governing equations form a system of PDE's (Partial Differential Equations) and, depending on the case being considered, this system may involve two different types of 'couplings' (in a real system, both couplings (1) and (2) generally take place): 1) Hydraulic coupling in a single (no exchange) or in a dual matrix-fracture continuum (exchange); 2) Thermo-Hydro-Mechanical interactions between fluid flow, pressure, elastic stress, strain, and temperature. We present here a preliminary model and simulation results with FEMLAB R , for the hydraulic problem with anisotropic heterogeneous coefficients. The model is based on data collected at an instrumented granitic site (FEBEX project) for studying a hypothetical nuclear waste repository at the Grimsel Test Site in the Swiss Alps. (authors)

  10. Thermo-hydro-mechanical simulation of a 3D fractured porous rock: preliminary study of coupled matrix-fracture hydraulics

    Energy Technology Data Exchange (ETDEWEB)

    Canamon, I.; Javier Elorza, F. [Universidad Politecnica de Madrid, Dept. de Matematica Aplicada y Metodos Informaticas, ETSI Minas (UPM) (Spain); Ababou, R. [Institut de Mecanique des Fluides de Toulouse (IMFT), 31 (France)

    2007-07-01

    We present a problem involving the modeling of coupled flow and elastic strain in a 3D fractured porous rock, which requires prior homogenization (up-scaling) of the fractured medium into an equivalent Darcian anisotropic continuum. The governing equations form a system of PDE's (Partial Differential Equations) and, depending on the case being considered, this system may involve two different types of 'couplings' (in a real system, both couplings (1) and (2) generally take place): 1) Hydraulic coupling in a single (no exchange) or in a dual matrix-fracture continuum (exchange); 2) Thermo-Hydro-Mechanical interactions between fluid flow, pressure, elastic stress, strain, and temperature. We present here a preliminary model and simulation results with FEMLAB{sup R}, for the hydraulic problem with anisotropic heterogeneous coefficients. The model is based on data collected at an instrumented granitic site (FEBEX project) for studying a hypothetical nuclear waste repository at the Grimsel Test Site in the Swiss Alps. (authors)

  11. Scalable Atomistic Simulation Algorithms for Materials Research

    Directory of Open Access Journals (Sweden)

    Aiichiro Nakano

    2002-01-01

    Full Text Available A suite of scalable atomistic simulation programs has been developed for materials research based on space-time multiresolution algorithms. Design and analysis of parallel algorithms are presented for molecular dynamics (MD simulations and quantum-mechanical (QM calculations based on the density functional theory. Performance tests have been carried out on 1,088-processor Cray T3E and 1,280-processor IBM SP3 computers. The linear-scaling algorithms have enabled 6.44-billion-atom MD and 111,000-atom QM calculations on 1,024 SP3 processors with parallel efficiency well over 90%. production-quality programs also feature wavelet-based computational-space decomposition for adaptive load balancing, spacefilling-curve-based adaptive data compression with user-defined error bound for scalable I/O, and octree-based fast visibility culling for immersive and interactive visualization of massive simulation data.

  12. The Particle Shape of WC Governing the Fracture Mechanism of Particle Reinforced Iron Matrix Composites.

    Science.gov (United States)

    Li, Zulai; Wang, Pengfei; Shan, Quan; Jiang, Yehua; Wei, He; Tan, Jun

    2018-06-11

    In this work, tungsten carbide particles (WC p , spherical and irregular particles)-reinforced iron matrix composites were manufactured utilizing a liquid sintering technique. The mechanical properties and the fracture mechanism of WC p /iron matrix composites were investigated theoretically and experimentally. The crack schematic diagram and fracture simulation diagram of WC p /iron matrix composites were summarized, indicating that the micro-crack was initiated both from the interface for spherical and irregular WC p /iron matrix composites. However, irregular WC p had a tendency to form spherical WC p . The micro-cracks then expanded to a wide macro-crack at the interface, leading to a final failure of the composites. In comparison with the spherical WC p , the irregular WC p were prone to break due to the stress concentration resulting in being prone to generating brittle cracking. The study on the fracture mechanisms of WC p /iron matrix composites might provide a theoretical guidance for the design and engineering application of particle reinforced composites.

  13. Fracture mechanisms in ferroelectric-ferroelastic lead zirconate titanate (Zr:Ti = 0.54:0.46) ceramics

    International Nuclear Information System (INIS)

    Mehta, K.; Virkar, A.V.

    1990-01-01

    Fracture toughness, K IC , of a single-phase commercial lead zirconate titanate (PZT) ceramic of tetragonal structure was measured using the single edge notched beam method above and below the Curie temperature. Domain switching (poling) under electrical and mechanical loading was examined using x-ray diffraction. Surface grinding, electrical poling, and mechanical poling caused crystallographic texture. Similar texture, indicative of domain switching, was also observed on fracture surfaces of some samples fractured at room temperature. At room temperature, the highest K IC measured was 1.85 MPa · m 1/2 , while above the Curie temperature it was about 1.0 MPa · m 1/2 . Cracks emanating from Vickers indents in poled samples were different in the poling and the transverse directions. The difference in crack sizes is explained on the basis of domain switching during crack growth. These results indicate that ferroelastic domain switching (twinning) is a viable toughening mechanism in the PZT materials tested

  14. Special fracture mechanics specimens for multilayer plastic pipes testing

    Czech Academy of Sciences Publication Activity Database

    Hutař, Pavel; Šestáková, Lucie; Knésl, Zdeněk; Nezbedová, E.; Náhlík, Luboš

    2009-01-01

    Roč. 28, č. 8 (2009), s. 785-792 ISSN 0142-9418 R&D Projects: GA ČR GA106/09/0279; GA ČR GC101/09/J027 Institutional research plan: CEZ:AV0Z20410507 Keywords : Multilayer plastic pipes * C-type specimen * K-calibration * Fracture toughness * Slow crack growth * Non-homogenous specimens Subject RIV: JL - Material s Fatigue, Friction Mechanics Impact factor: 1.667, year: 2009

  15. Flaw preparations for HSST program vessel fracture mechanics testing: mechanical-cyclic pumping and electron-beam weld-hydrogen-charge cracking schemes

    International Nuclear Information System (INIS)

    Holz, P.P.

    1980-06-01

    The purpose of the document is to present schemes for flaw preparations in heavy section steel. The ability of investigators to grow representative sharp cracks of known size, location, and orientation is basic to representative field testing to determine data for potential flaw propagation, fracture behavior, and margin against fracture for high-pressure-, high-temperature-service steel vessels subjected to increasing pressurization and/or thermal shock. Gaging for analytical stress and strain procedures and ultrasonic and acoustic emission instrumentation can then be applied to monitor the vessel during testing and to study crack growth. This report presents flaw preparations for HSST fracture mechanics testing. Cracks were grown by two techniques: (1) a mechanical method wherein a premachined notch was sharpened by pressurization and (2) a method combining electron-beam welds and hydrogen charging to crack the chill zone of a rapidly placed autogenous weld. The mechanical method produces a naturally occurring growth shape controlled primarily by the shape of the machined notch; the welding-electrochemical method produces flaws of uniform depth from the surface of a wall or machined notch. Theories, details, discussions, and procedures are covered for both of the flaw-growing schemes

  16. Diffusion in energy materials: Governing dynamics from atomistic modelling

    Science.gov (United States)

    Parfitt, D.; Kordatos, A.; Filippatos, P. P.; Chroneos, A.

    2017-09-01

    Understanding diffusion in energy materials is critical to optimising the performance of solid oxide fuel cells (SOFCs) and batteries both of which are of great technological interest as they offer high efficiency for cleaner energy conversion and storage. In the present review, we highlight the insights offered by atomistic modelling of the ionic diffusion mechanisms in SOFCs and batteries and how the growing predictive capability of high-throughput modelling, together with our new ability to control compositions and microstructures, will produce advanced materials that are designed rather than chosen for a given application. The first part of the review focuses on the oxygen diffusion mechanisms in cathode and electrolyte materials for SOFCs and in particular, doped ceria and perovskite-related phases with anisotropic structures. The second part focuses on disordered oxides and two-dimensional materials as these are very promising systems for battery applications.

  17. An atomistic study of the deformation behavior of tungsten nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Shuozhi [University of California, California NanoSystems Institute, Santa Barbara, CA (United States); Su, Yanqing [University of California, Department of Mechanical Engineering, Santa Barbara, CA (United States); Chen, Dengke [Georgia Institute of Technology, GWW School of Mechanical Engineering, Atlanta, GA (United States); Li, Longlei [Georgia Institute of Technology, School of Earth and Atmospheric Sciences, Atlanta, GA (United States)

    2017-12-15

    Large-scale atomistic simulations are performed to study tensile and compressive left angle 112 right angle loading of single-crystalline nanowires in body-centered cubic tungsten (W). Effects of loading mode, wire cross-sectional shape, wire size, strain rate, and crystallographic orientations of the lateral surfaces are explored. Uniaxial deformation of a W bulk single crystal is also investigated for reference. Our results reveal a strong tension-compression asymmetry in both the stress-strain response and the deformation behavior due to different yielding/failure modes: while the nanowires fail by brittle fracture under tensile loading, they yield by nucleation of dislocations from the wire surface under compressive loading. It is found that (1) nanowires have a higher strength than the bulk single crystal; (2) with a cross-sectional size larger than 10 nm, there exists a weak dependence of strength on wire size; (3) when the wire size is equal to or smaller than 10 nm, nanowires buckle under compressive loading; (4) the cross-sectional shape, strain rate, and crystallographic orientations of the lateral surfaces affect the strength and the site of defect initiation but not the overall deformation behavior. (orig.)

  18. Edge dislocations in dicalcium silicates: Experimental observations and atomistic analysis

    International Nuclear Information System (INIS)

    Shahsavari, Rouzbeh; Chen, Lu; Tao, Lei

    2016-01-01

    Understanding defects and influence of dislocations on dicalcium silicates (Ca 2 SiO 4 ) is a challenge in cement science. We report a high-resolution transmission electron microscopy image of edge dislocations in Ca 2 SiO 4 , followed by developing a deep atomic understanding of the edge dislocation-mediated properties of five Ca 2 SiO 4 polymorphs. By decoding the interplay between core dislocation energies, core structures, and nucleation rate of reactivity, we find that γ-C2S and α-C2S polymorphs are the most favorable polymorphs for dislocations in Ca 2 SiO 4 , mainly due to their large pore channels which take away majority of the distortions imposed by edge dislocations. Furthermore, in the context of edge dislocation, while α-C2S represents the most active polymorph for reactivity and crystal growth, β-C2S represents the most brittle polymorph suitable for grinding. This work is the first report on the atomistic-scale analysis of edge dislocation-mediated properties of Ca 2 SiO 4 and may open up new opportunities for tuning fracture and reactivity processes of Ca 2 SiO 4 and other cement components.

  19. Mechanical properties of highly defective graphene: from brittle rupture to ductile fracture

    International Nuclear Information System (INIS)

    Xu, Lanqing; Wei, Ning; Zheng, Yongping

    2013-01-01

    Defects are generally believed to deteriorate the superlative performance of graphene-based devices but may also be useful when carefully engineered to tailor the local properties and achieve new functionalities. Central to most defect-associated applications is the defect coverage and arrangement. In this work, we investigate, by molecular dynamics simulations, the mechanical properties and fracture dynamics of graphene sheets with randomly distributed vacancies or Stone–Wales defects under tensile deformations over a wide defect coverage range. With defects presented, an sp–sp 2 bonding network and an sp–sp 2 –sp 3 bonding network are observed in vacancy-defected and Stone–Wales-defected graphene, respectively. The ultimate strength degrades gradually with increasing defect coverage and saturates in the high-ratio regime, whereas the fracture strain presents an unusual descending–saturating–improving trend. In the dense vacancy defect situation, the fracture becomes more plastic and super-ductility is observed. Further fracture dynamics analysis reveals that the crack trapping by sp–sp 2 and sp–sp 2 –sp 3 rings and the crack-tip blunting account for the ductile fracture, whereas geometric rearrangement on the entire sheet for vacancy defects and geometric rearrangement on the specific defect sites for Stone–Wales defects account for their distinctive rules of the evolution of the fracture strain. (paper)

  20. OCA-P, a deterministic and probabilistic fracture-mechanics code for application to pressure vessels

    International Nuclear Information System (INIS)

    Cheverton, R.D.; Ball, D.G.

    1984-05-01

    The OCA-P code is a probabilistic fracture-mechanics code that was prepared specifically for evaluating the integrity of pressurized-water reactor vessels when subjected to overcooling-accident loading conditions. The code has two-dimensional- and some three-dimensional-flaw capability; it is based on linear-elastic fracture mechanics; and it can treat cladding as a discrete region. Both deterministic and probabilistic analyses can be performed. For the former analysis, it is possible to conduct a search for critical values of the fluence and the nil-ductility reference temperature corresponding to incipient initiation of the initial flaw. The probabilistic portion of OCA-P is based on Monte Carlo techniques, and simulated parameters include fluence, flaw depth, fracture toughness, nil-ductility reference temperature, and concentrations of copper, nickel, and phosphorous. Plotting capabilities include the construction of critical-crack-depth diagrams (deterministic analysis) and various histograms (probabilistic analysis)

  1. Implications of recent developments in the plastic fracture mechanics field to the PCI stress corrosion problem

    International Nuclear Information System (INIS)

    Smith, E.

    1980-01-01

    Fractographic observations on irradiated Zircaloy cladding stress corrosion fracture surfaces are considered against the background of recent developments in the plastic fracture mechanics field. Dimples have been observed on the fracture surfaces of failed cladding, even though the cracks in metallographic sections are tight, i.e., crack propagation is associated with a low crack tip opening angle. This result is interpreted as providing evidence for an environmentally assisted ductile mode of fracture. The presence of this fracture mode forms the basis of an argument, which adds further support for the view that power ramp stress corrosion cladding failures are caused by stress concentrations that produce stress gradients in the cladding. (orig.)

  2. Analysis of interlaminar fracture toughness and damage mechanisms in composite laminates reinforced with sprayed multi-walled carbon nanotubes

    International Nuclear Information System (INIS)

    Almuhammadi, Khaled; Alfano, Marco; Yang, Yang; Lubineau, Gilles

    2014-01-01

    Highlights: • CNTs are solvent sprayed on CFRP prepreg to improve interlaminar fracture toughness. • Raman mapping revealed the actual penetration of CNTs across the interface. • A finite thickness nanoreinforced region was able to spread damage through CNT pull-out and peeling. • The induced dissipation mechanisms are operative at the microscale. • The nanoreinforcement strategy led to an increased fracture toughness. - Abstract: The present work is focused on the nanoreinforcement of prepreg based carbon fiber composite laminates to improve delamination resistance. Functionalized multi-walled carbon nanotubes (MWCNTs) were dispersed over the interface between prepreg layers through solvent spraying and the resulting mode I interlaminar fracture toughness was determined. For comparison, baseline samples with neat prepregs were also prepared. Results indicate that the introduction of functionalized MWCNTs can favorably affect the interlaminar fracture toughness, and the associated mechanisms of failure have been investigated. The manufacturing procedures and the interfacial reinforcing mechanism were explored by analyzing (i) the wettability between CNTs-solvent solution and prepreg surface, (ii) CNTs dispersion and (iii) the fractured surfaces through high resolution scanning electron microscopy and Raman mapping

  3. Fracture mechanics based design for radioactive material transport packagings -- Historical review

    International Nuclear Information System (INIS)

    Smith, J.A.; Salzbrenner, D.; Sorenson, K.; McConnell, P.

    1998-04-01

    The use of a fracture mechanics based design for the radioactive material transport (RAM) packagings has been the subject of extensive research for more than a decade. Sandia National Laboratories (SNL) has played an important role in the research and development of the application of this technology. Ductile iron has been internationally accepted as an exemplary material for the demonstration of a fracture mechanics based method of RAM packaging design and therefore is the subject of a large portion of the research discussed in this report. SNL's extensive research and development program, funded primarily by the U. S. Department of Energy's Office of Transportation, Energy Management and Analytical Services (EM-76) and in an auxiliary capacity, the office of Civilian Radioactive Waste Management, is summarized in this document along with a summary of the research conducted at other institutions throughout the world. In addition to the research and development work, code and standards development and regulatory positions are also discussed

  4. PECVD low-permittivity organosilicate glass coatings: Adhesion, fracture and mechanical properties

    Energy Technology Data Exchange (ETDEWEB)

    Lin Youbo; Xiang Yong [School of Engineering and Applied Sciences, Harvard University, 29 Oxford Street, Cambridge, MA 02138 (United States); Tsui, Ting Y. [Department of Chemical Engineering, Nanotechnology Institute, University of Waterloo, 200 University Avenue West, Waterloo, Ont., N2L 3G1 (Canada); Vlassak, Joost J. [School of Engineering and Applied Sciences, Harvard University, 29 Oxford Street, Cambridge, MA 02138 (United States)], E-mail: vlassak@esag.harvard.edu

    2008-10-15

    The structure and mechanical behavior of organosilicate glass (OSG) coatings have been analyzed as a function of composition and UV irradiation time. A decrease in the OSG carbon content results in more networking bonds and increased connectivity; UV irradiation increases the connectivity by severing weak terminal bonds and stabilizes the network through local bond rearrangements. These structure modifications lead to a significant improvement in the stiffness, hardness, and fracture energy of these coatings. The networking bond density and mean connectivity number correlate well with the mechanical behavior of the OSG films, although network bond density weighted by bond energy is a more appropriate measure. The adhesion energy of silicon nitride to OSG is significantly higher than the cohesive energy of the OSG as a result of interface densification and crack-tip shielding. Subcritical fracture measurements in aqueous environments show that the detrimental effect of water on adhesion surpasses the effect of network connectivity.

  5. A variationally coupled FE-BE method for elasticity and fracture mechanics

    Science.gov (United States)

    Lu, Y. Y.; Belytschko, T.; Liu, W. K.

    1991-01-01

    A new method for coupling finite element and boundary element subdomains in elasticity and fracture mechanics problems is described. The essential feature of this new method is that a single variational statement is obtained for the entire domain, and in this process the terms associated with tractions on the interfaces between the subdomains are eliminated. This provides the additional advantage that the ambiguities associated with the matching of discontinuous tractions are circumvented. The method leads to a direct procedure for obtaining the discrete equations for the coupled problem without any intermediate steps. In order to evaluate this method and compare it with previous methods, a patch test for coupled procedures has been devised. Evaluation of this variationally coupled method and other methods, such as stiffness coupling and constraint traction matching coupling, shows that this method is substantially superior. Solutions for a series of fracture mechanics problems are also reported to illustrate the effectiveness of this method.

  6. Additional Stress And Fracture Mechanics Analyses Of Pressurized Water Reactor Pressure Vessel Nozzles

    International Nuclear Information System (INIS)

    Walter, Matthew; Yin, Shengjun; Stevens, Gary; Sommerville, Daniel; Palm, Nathan; Heinecke, Carol

    2012-01-01

    In past years, the authors have undertaken various studies of nozzles in both boiling water reactors (BWRs) and pressurized water reactors (PWRs) located in the reactor pressure vessel (RPV) adjacent to the core beltline region. Those studies described stress and fracture mechanics analyses performed to assess various RPV nozzle geometries, which were selected based on their proximity to the core beltline region, i.e., those nozzle configurations that are located close enough to the core region such that they may receive sufficient fluence prior to end-of-life (EOL) to require evaluation of embrittlement as part of the RPV analyses associated with pressure-temperature (P-T) limits. In this paper, additional stress and fracture analyses are summarized that were performed for additional PWR nozzles with the following objectives: To expand the population of PWR nozzle configurations evaluated, which was limited in the previous work to just two nozzles (one inlet and one outlet nozzle). To model and understand differences in stress results obtained for an internal pressure load case using a two-dimensional (2-D) axi-symmetric finite element model (FEM) vs. a three-dimensional (3-D) FEM for these PWR nozzles. In particular, the ovalization (stress concentration) effect of two intersecting cylinders, which is typical of RPV nozzle configurations, was investigated. To investigate the applicability of previously recommended linear elastic fracture mechanics (LEFM) hand solutions for calculating the Mode I stress intensity factor for a postulated nozzle corner crack for pressure loading for these PWR nozzles. These analyses were performed to further expand earlier work completed to support potential revision and refinement of Title 10 to the U.S. Code of Federal Regulations (CFR), Part 50, Appendix G, Fracture Toughness Requirements, and are intended to supplement similar evaluation of nozzles presented at the 2008, 2009, and 2011 Pressure Vessels and Piping (PVP

  7. Mechanical stimulation enhanced estrogen receptor expression and callus formation in diaphyseal long bone fracture healing in ovariectomy-induced osteoporotic rats.

    Science.gov (United States)

    Chow, S K H; Leung, K S; Qin, J; Guo, A; Sun, M; Qin, L; Cheung, W H

    2016-10-01

    Estrogen receptor (ER) in ovariectomy-induced osteoporotic fracture was reported to exhibit delayed expression. Mechanical stimulation enhanced ER-α expression in osteoporotic fracture callus at the tissue level. ER was also found to be required for the effectiveness of vibrational mechanical stimulation treatment in osteoporotic fracture healing. Estrogen receptor(ER) is involved in mechanical signal transduction in bone metabolism. Its expression was reported to be delayed in osteoporotic fracture healing. The purpose of this study was to investigate the roles played by ER during osteoporotic fracture healing enhanced with mechanical stimulation. Ovariectomy-induced osteoporotic SD rats that received closed femoral fractures were divided into five groups, (i) SHAM, (ii) SHAM-VT, (iii) OVX, (iv) OVX-VT, and (v) OVX-VT-ICI, where VT stands for whole-body vibration treatment and ICI for ER antagonization by ICI 182,780. Callus formation and gene expression were assessed at 2, 4, and 8 weeks postfracture. In vitro osteoblastic differentiation, mineralization, and ER-α expression were assessed. The delayed ER expression was found to be enhanced by vibration treatment. Callus formation enhancement was shown by callus morphometry and micro-CT analysis. Enhancement effects by vibration were partially abolished when ER was modulated by ICI 182,780, in terms of callus formation capacity at 2-4 weeks and ER gene and protein expression at all time points. In vitro, ER expression in osteoblasts was not enhanced by VT treatment, but osteoblastic differentiation and mineralization were enhanced under estrogen-deprived condition. When osteoblastic cells were modulated by ICI 182,780, enhancement effects of VT were eliminated. Vibration was able to enhance ER expression in ovariectomy-induced osteoporotic fracture healing. ER was essential in mechanical signal transduction and enhancement in callus formation effects during osteoporotic fracture healing enhanced by vibration

  8. Fracture mechanics and statistical mechanics of reinforced elastomeric blends

    CERN Document Server

    Heinrich, Gert; Kaliske, Michael; Klüppel, Manfred; Schneider, Konrad; Vilgis, Thomas

    2013-01-01

    Elastomers are found in many applications ranging from technology to daily life applications for example in tires, drive systems, sealings and print rollers. Dynamical operation conditions put extremely high demands on the performance and stability of these materials and their elastic and flow properties can be easily adjusted by simple manipulations on their elastic and viscous properties. However, the required service life suffers often from material damage as a result of wear processes such as abrasion and wear fatigue, mostly caused by crack formation and propagation. This book covers interdisciplinary research between physics, physical chemistry, material sciences and engineering of elastomers within the range from nanometres to millimetres and connects these aspects with the constitutive material properties. The different chapters describe reliable lifetime and durability predictions based on new fracture mechanical testing concepts and advanced material-theoretical methods which are finally implemented...

  9. Combined loading effects on the fracture mechanics behavior of line pipes

    Energy Technology Data Exchange (ETDEWEB)

    Bravo, R.E.; Cravero, S.; Ernst, H.A. [Tenaris Group, Campana (Argentina). SIDERCA R and D Center

    2009-12-19

    For certain applications, pipelines may be submitted to biaxial loading situations. In these cases, it is not clear the influence of the biaxial loading on the fracture mechanics behavior of cracked pipelines. For further understanding of biaxial loading effects, this work presents a numerical simulation of ductile tearing in a circumferentially surface cracked pipe under biaxial loading using the computational cell methodology. The model was adjusted with experimental results obtained in laboratory using single edge cracked under tension (SENT) specimens. These specimens appear as the better alternative to conventional fracture specimens to characterize fracture toughness of cracked pipes. The negligible effect of biaxial loadings on resistance curves was demonstrated. To guarantee the similarities of stress and strains fields between SENT specimens and cracked pipes subjected to biaxial loading, a constraint study using the J-Q methodology and the h parameter was used. The constraint study gives information about the characteristics of the crack-tip conditions. (author)

  10. Reliability of Source Mechanisms for a Hydraulic Fracturing Dataset

    Science.gov (United States)

    Eyre, T.; Van der Baan, M.

    2016-12-01

    Non-double-couple components have been inferred for induced seismicity due to fluid injection, yet these components are often poorly constrained due to the acquisition geometry. Likewise non-double-couple components in microseismic recordings are not uncommon. Microseismic source mechanisms provide an insight into the fracturing behaviour of a hydraulically stimulated reservoir. However, source inversion in a hydraulic fracturing environment is complicated by the likelihood of volumetric contributions to the source due to the presence of high pressure fluids, which greatly increases the possible solution space and therefore the non-uniqueness of the solutions. Microseismic data is usually recorded on either 2D surface or borehole arrays of sensors. In many cases, surface arrays appear to constrain source mechanisms with high shear components, whereas borehole arrays tend to constrain more variable mechanisms including those with high tensile components. The abilities of each geometry to constrain the true source mechanisms are therefore called into question.The ability to distinguish between shear and tensile source mechanisms with different acquisition geometries is investigated using synthetic data. For both inversions, both P- and S- wave amplitudes recorded on three component sensors need to be included to obtain reliable solutions. Surface arrays appear to give more reliable solutions due to a greater sampling of the focal sphere, but in reality tend to record signals with a low signal to noise ratio. Borehole arrays can produce acceptable results, however the reliability is much more affected by relative source-receiver locations and source orientation, with biases produced in many of the solutions. Therefore more care must be taken when interpreting results.These findings are taken into account when interpreting a microseismic dataset of 470 events recorded by two vertical borehole arrays monitoring a horizontal treatment well. Source locations and

  11. Some probabilistic aspects of fracture

    International Nuclear Information System (INIS)

    Thomas, J.M.

    1982-01-01

    Some probabilistic aspects of fracture in structural and mechanical components are examined. The principles of fracture mechanics, material quality and inspection uncertainty are formulated into a conceptual and analytical framework for prediction of failure probability. The role of probabilistic fracture mechanics in a more global context of risk and optimization of decisions is illustrated. An example, where Monte Carlo simulation was used to implement a probabilistic fracture mechanics analysis, is discussed. (orig.)

  12. Physically representative atomistic modeling of atomic-scale friction

    Science.gov (United States)

    Dong, Yalin

    Nanotribology is a research field to study friction, adhesion, wear and lubrication occurred between two sliding interfaces at nano scale. This study is motivated by the demanding need of miniaturization mechanical components in Micro Electro Mechanical Systems (MEMS), improvement of durability in magnetic storage system, and other industrial applications. Overcoming tribological failure and finding ways to control friction at small scale have become keys to commercialize MEMS with sliding components as well as to stimulate the technological innovation associated with the development of MEMS. In addition to the industrial applications, such research is also scientifically fascinating because it opens a door to understand macroscopic friction from the most bottom atomic level, and therefore serves as a bridge between science and engineering. This thesis focuses on solid/solid atomic friction and its associated energy dissipation through theoretical analysis, atomistic simulation, transition state theory, and close collaboration with experimentalists. Reduced-order models have many advantages for its simplification and capacity to simulating long-time event. We will apply Prandtl-Tomlinson models and their extensions to interpret dry atomic-scale friction. We begin with the fundamental equations and build on them step-by-step from the simple quasistatic one-spring, one-mass model for predicting transitions between friction regimes to the two-dimensional and multi-atom models for describing the effect of contact area. Theoretical analysis, numerical implementation, and predicted physical phenomena are all discussed. In the process, we demonstrate the significant potential for this approach to yield new fundamental understanding of atomic-scale friction. Atomistic modeling can never be overemphasized in the investigation of atomic friction, in which each single atom could play a significant role, but is hard to be captured experimentally. In atomic friction, the

  13. Dependence of the mechanical fracture energy of the polymeric composite material from the mixture of filler fractions

    Directory of Open Access Journals (Sweden)

    E. M. Nurullaev

    2015-01-01

    Full Text Available This paper for the first time presents an equation for calculating the mechanical fracture energy of the polymeric composite material (PCM with regard to the basic formulation parameters. By means of the developed computer program the authors calculated the mechanical fracture energy of the polymer binder of the 3D cross-linked plasticized elastomer filled with multifractional silica. The solution of the integral equation was implemented using the corresponding dependence of stress on relative elongation at uniaxial tension. Engineering application of the theory was considered with respect to asphalt road covering. The authors proposed a generalized dependence of ruptural deformation of the polymer binder from the effective concentration of chemical and physical (intermolecular bonds for calculating the mechanical fracture energy of available and advanced PCMs as filled elastomers.

  14. [Mechanics analysis of fracture of orthodontic wires].

    Science.gov (United States)

    Wang, Yeping; Sun, Xiaoye; Zhang, Longqi

    2003-03-01

    Fracture problem of orthodontic wires was discussed in this paper. The calculation formulae of bending stress and tensile stress were obtained. All main factors that affect bending stress and tensile stress of orthodontic wires were analyzed and discussed. It was concluded that the main causes of fracture of orthodontic wires were fatigue and static disruption. Some improving proposals for preventing fracture of orthodontic wires were put forward.

  15. AACSD: An atomistic analyzer for crystal structure and defects

    Science.gov (United States)

    Liu, Z. R.; Zhang, R. F.

    2018-01-01

    We have developed an efficient command-line program named AACSD (Atomistic Analyzer for Crystal Structure and Defects) for the post-analysis of atomic configurations generated by various atomistic simulation codes. The program has implemented not only the traditional filter methods like the excess potential energy (EPE), the centrosymmetry parameter (CSP), the common neighbor analysis (CNA), the common neighborhood parameter (CNP), the bond angle analysis (BAA), and the neighbor distance analysis (NDA), but also the newly developed ones including the modified centrosymmetry parameter (m-CSP), the orientation imaging map (OIM) and the local crystallographic orientation (LCO). The newly proposed OIM and LCO methods have been extended for all three crystal structures including face centered cubic, body centered cubic and hexagonal close packed. More specially, AACSD can be easily used for the atomistic analysis of metallic nanocomposite with each phase to be analyzed independently, which provides a unique pathway to capture their dynamic evolution of various defects on the fly. In this paper, we provide not only a throughout overview on various theoretical methods and their implementation into AACSD program, but some critical evaluations, specific testing and applications, demonstrating the capability of the program on each functionality.

  16. FRACTURE MECHANICS UNCERTAINTY ANALYSIS IN THE RELIABILITY ASSESSMENT OF THE REACTOR PRESSURE VESSEL: (2D SUBJECTED TO INTERNAL PRESSURE

    Directory of Open Access Journals (Sweden)

    Entin Hartini

    2016-06-01

    Full Text Available ABSTRACT FRACTURE MECHANICS UNCERTAINTY ANALYSIS IN THE RELIABILITY ASSESSMENT OF THE REACTOR PRESSURE VESSEL: (2D SUBJECTED TO INTERNAL PRESSURE. The reactor pressure vessel (RPV is a pressure boundary in the PWR type reactor which serves to confine radioactive material during chain reaction process. The integrity of the RPV must be guaranteed either  in a normal operation or accident conditions. In analyzing the integrity of RPV, especially related to the crack behavior which can introduce break to the reactor pressure vessel, a fracture mechanic approach should be taken for this assessment. The uncertainty of input used in the assessment, such as mechanical properties and physical environment, becomes a reason that the assessment is not sufficient if it is perfomed only by deterministic approach. Therefore, the uncertainty approach should be applied. The aim of this study is to analize the uncertainty of fracture mechanics calculations in evaluating the reliability of PWR`s reactor pressure vessel. Random character of input quantity was generated using probabilistic principles and theories. Fracture mechanics analysis is solved by Finite Element Method (FEM with  MSC MARC software, while uncertainty input analysis is done based on probability density function with Latin Hypercube Sampling (LHS using python script. The output of MSC MARC is a J-integral value, which is converted into stress intensity factor for evaluating the reliability of RPV’s 2D. From the result of the calculation, it can be concluded that the SIF from  probabilistic method, reached the limit value of  fracture toughness earlier than SIF from  deterministic method.  The SIF generated by the probabilistic method is 105.240 MPa m0.5. Meanwhile, the SIF generated by deterministic method is 100.876 MPa m0.5. Keywords: Uncertainty analysis, fracture mechanics, LHS, FEM, reactor pressure vessels   ABSTRAK ANALISIS KETIDAKPASTIAN FRACTURE MECHANIC PADA EVALUASI KEANDALAN

  17. Fracture of the proximal tibia after revision total knee arthroplasty with an extensor mechanism allograft.

    Science.gov (United States)

    Klein, Gregg R; Levine, Harlan B; Sporer, Scott M; Hartzband, Mark A

    2013-02-01

    Extensor mechanism reconstruction with an extensor mechanism allograft (EMA) remains one of the most reliable methods for treating the extensor mechanism deficient total knee arthroplasty. We report 3 patients who were treated with an EMA who sustained a proximal tibial shaft fracture. In all 3 cases, a short tibial component was present that ended close to the level of the distal extent of the bone block. When performing an EMA, it is important to recognize that the tibial bone block creates a stress riser and revision to a long-stemmed tibial component should be strongly considered to bypass this point to minimize the risk of fracture. Copyright © 2013 Elsevier Inc. All rights reserved.

  18. Effects of Eutectic Si Particles on Mechanical Properties and Fracture Toughness of Cast A356 Aluminum Alloys

    International Nuclear Information System (INIS)

    Lee, Kyu Hong; Lee, Sung Hak; Kwon, Yong Nam

    2007-01-01

    The present study aims at investigating the effects of eutectic Si particles on mechanical properties and fracture toughness of three A356 aluminum alloys. These A356 alloys were fabricated by casting processes such as rheo-casting, squeeze-casting, and casting-forging, and their mechanical properties and fracture toughness were analyzed in relation with microfracture mechanism study. All the cast A356 alloys contained eutectic Si particles mainly segregated along solidification cells, and the distribution of Si particles was modified by squeeze-casting and casting-forging processes. Microfracture observation results showed that eutectic Si particles segregated along cells were cracked first, but that aluminum matrix played a role in blocking crack propagation. Tensile properties and fracture toughness of the squeeze cast and cast-forged alloys having homogeneous distribution of eutectic Si particles were superior to those of the rheo-cast alloy. In particular, the cast-forged alloy had excellent hardness, strength, ductility, and fracture toughness because of the matrix strengthening and homogeneous distribution of eutectic Si particles due to forging process

  19. Addressing uncertainty in atomistic machine learning

    DEFF Research Database (Denmark)

    Peterson, Andrew A.; Christensen, Rune; Khorshidi, Alireza

    2017-01-01

    Machine-learning regression has been demonstrated to precisely emulate the potential energy and forces that are output from more expensive electronic-structure calculations. However, to predict new regions of the potential energy surface, an assessment must be made of the credibility of the predi......Machine-learning regression has been demonstrated to precisely emulate the potential energy and forces that are output from more expensive electronic-structure calculations. However, to predict new regions of the potential energy surface, an assessment must be made of the credibility...... of the predictions. In this perspective, we address the types of errors that might arise in atomistic machine learning, the unique aspects of atomistic simulations that make machine-learning challenging, and highlight how uncertainty analysis can be used to assess the validity of machine-learning predictions. We...... suggest this will allow researchers to more fully use machine learning for the routine acceleration of large, high-accuracy, or extended-time simulations. In our demonstrations, we use a bootstrap ensemble of neural network-based calculators, and show that the width of the ensemble can provide an estimate...

  20. Robust mode space approach for atomistic modeling of realistically large nanowire transistors

    Science.gov (United States)

    Huang, Jun Z.; Ilatikhameneh, Hesameddin; Povolotskyi, Michael; Klimeck, Gerhard

    2018-01-01

    Nanoelectronic transistors have reached 3D length scales in which the number of atoms is countable. Truly atomistic device representations are needed to capture the essential functionalities of the devices. Atomistic quantum transport simulations of realistically extended devices are, however, computationally very demanding. The widely used mode space (MS) approach can significantly reduce the numerical cost, but a good MS basis is usually very hard to obtain for atomistic full-band models. In this work, a robust and parallel algorithm is developed to optimize the MS basis for atomistic nanowires. This enables engineering-level, reliable tight binding non-equilibrium Green's function simulation of nanowire metal-oxide-semiconductor field-effect transistor (MOSFET) with a realistic cross section of 10 nm × 10 nm using a small computer cluster. This approach is applied to compare the performance of InGaAs and Si nanowire n-type MOSFETs (nMOSFETs) with various channel lengths and cross sections. Simulation results with full-band accuracy indicate that InGaAs nanowire nMOSFETs have no drive current advantage over their Si counterparts for cross sections up to about 10 nm × 10 nm.

  1. Mechanical exfoliation of two-dimensional materials

    Science.gov (United States)

    Gao, Enlai; Lin, Shao-Zhen; Qin, Zhao; Buehler, Markus J.; Feng, Xi-Qiao; Xu, Zhiping

    2018-06-01

    Two-dimensional materials such as graphene and transition metal dichalcogenides have been identified and drawn much attention over the last few years for their unique structural and electronic properties. However, their rise begins only after these materials are successfully isolated from their layered assemblies or adhesive substrates into individual monolayers. Mechanical exfoliation and transfer are the most successful techniques to obtain high-quality single- or few-layer nanocrystals from their native multi-layer structures or their substrate for growth, which involves interfacial peeling and intralayer tearing processes that are controlled by material properties, geometry and the kinetics of exfoliation. This procedure is rationalized in this work through theoretical analysis and atomistic simulations. We propose a criterion to assess the feasibility for the exfoliation of two-dimensional sheets from an adhesive substrate without fracturing itself, and explore the effects of material and interface properties, as well as the geometrical, kinetic factors on the peeling behaviors and the torn morphology. This multi-scale approach elucidates the microscopic mechanism of the mechanical processes, offering predictive models and tools for the design of experimental procedures to obtain single- or few-layer two-dimensional materials and structures.

  2. Development of probabilistic fracture mechanics code PASCAL and user's manual

    Energy Technology Data Exchange (ETDEWEB)

    Shibata, Katsuyuki; Onizawa, Kunio [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Li, Yinsheng; Kato, Daisuke [Fuji Research Institute Corporation, Tokyo (Japan)

    2001-03-01

    As a part of the aging and structural integrity research for LWR components, a new PFM (Probabilistic Fracture Mechanics) code PASCAL (PFM Analysis of Structural Components in Aging LWR) has been developed since FY1996. This code evaluates the failure probability of an aged reactor pressure vessel subjected to transient loading such as PTS (Pressurized Thermal Shock). The development of the code has been aimed to improve the accuracy and reliability of analysis by introducing new analysis methodologies and algorithms considering the recent development in the fracture mechanics methodologies and computer performance. The code has some new functions in optimized sampling and cell dividing procedure in stratified Monte Carlo simulation, elastic-plastic fracture criterion of R6 method, extension analysis models in semi-elliptical crack, evaluation of effect of thermal annealing and etc. In addition, an input data generator of temperature and stress distribution time histories was also prepared in the code. Functions and performance of the code have been confirmed based on the verification analyses and some case studies on the influence parameters. The present phase of the development will be completed in FY2000. Thus this report provides the user's manual and theoretical background of the code. (author)

  3. Application of probabilistic fracture mechanics to reactor pressure vessel safety assessment

    International Nuclear Information System (INIS)

    Venturini, V.; Pitner, P.

    1995-06-01

    Among all the components of a PWR (Pressurized Water Reactor) nuclear power plant, the reactor vessel is of major importance for safety. The integrity of this structure must be guaranteed in all circumstances, even in the case of the most severe accidents, and its mechanical state can be decisive for the lifetime of the plant. The brittle rupture would be the most important of all potential hazards if the irradiation effects were not consistent with predictions. The interest of having a reliable and precise method of evaluating the available safety margins and the integrity of this component led Electricite de France (EDF) to carry out a probabilistic fracture mechanics analysis. The probabilistic model developed by integration of the uncertainties in the usual fracture mechanics equations is presented. A special focus is made on the problem of coupling thermo-mechanical finite element calculations and reliability analysis. The use of a finite element code can be associated with prohibitive computation times when it is invoked numerous times during simulations sequences or complex iterative procedures. The response surface method is used. It provides an approximation of the response from a reduced number of original data. The global approach is illustrated on an example corresponding to a specific accidental transient. A validation of the obtained results is also carried out through the comparison with an equivalent model without coupling. (author)

  4. Hydro-thermo-mechanical response of a fractured rock block

    International Nuclear Information System (INIS)

    Kelkar, S.; Zyvoloski, G.

    1990-01-01

    Hydro-thermo-mechanical effects in fractured rocks are important in many engineering applications and geophysical processes. Modeling these effects is made difficult by the fact that the governing equations are nonlinear and coupled, and the problems to be solved are three dimensional. In this paper we describe a numerical code developed for this purpose. The code is finite element based to allow for complicated geometries, and the time differencing is implicit, allowing for large time steps. The use of state-of-the-art equation solvers has resulted in a practical code. The code is capable of fully three dimensional simulations, however, in this paper we consider only the case of two dimensional heat and mass flow coupled to one dimensional deformation. Partial verification of the code is obtained by comparison with published semianalytical results. Several examples are presented to demonstrate the effects of matrix expansion, due to pore pressure and heating, on fracture opening due to fluid injection. 16 refs., 11 figs

  5. Non–double-couple mechanisms of microearthquakes induced by hydraulic fracturing

    Czech Academy of Sciences Publication Activity Database

    Šílený, Jan; Hill, D. P.; Eisner, L.; Cornet, F. H.

    2009-01-01

    Roč. 114, B8 (2009), B08307/1-B08307/15 ISSN 0148-0227 R&D Projects: GA AV ČR IAA300120502; GA ČR GA205/09/0724 Grant - others:EC(XE) MTKI-CT-2004-517242 Institutional research plan: CEZ:AV0Z30120515 Keywords : microearthquakes * source mechanisms * hydraulic fracturing Subject RIV: DC - Siesmology, Volcanology, Earth Structure Impact factor: 3.082, year: 2009

  6. Fracture mechanics performance of UF6 containers

    International Nuclear Information System (INIS)

    Gonzalez, M.E.; Iorio, A.F.; Crespi, J.C.

    1993-01-01

    The main purpose of this work was to determine the fracture mechanics performance of UF 6 transport cylinders type ANSI N14.1.30B, which was made from ASTM A 516 Grade 70 steel. It was assumed an internal surface axial crack subjected to stresses due to service, proof and transport accident loads. The KUMAR-GERMAN-SHIH elastoplastic methodology gave adequate results for crack depth estimation. The results validate the leak-before-break criteria for service and proof conditions but not for accident ones. In the last case a non-destructive examination must be done in order to assure the absence of defects larger than one third of the cylinder wall thickness. (Author)

  7. Implementation of nondestructive testing and mechanical performance approaches to assess low temperature fracture properties of asphalt binders

    Directory of Open Access Journals (Sweden)

    Salman Hakimzadeh

    2017-05-01

    Full Text Available In the present work, three different asphalt binders were studied to assess their fracture behavior at low temperatures. Fracture properties of asphalt materials were obtained through conducting the compact tension [C(T] and indirect tensile [ID(T] strength tests. Mechanical fracture tests were followed by performing acoustic emissions test to determine the “embrittlement temperature” of binders which was used in evaluation of thermally induced microdamages in binders. Results showed that both nondestructive and mechanical testing approaches could successfully capture low-temperature cracking behavior of asphalt materials. It was also observed that using GTR as the binder modifier significantly improved thermal cracking resistance of PG64-22 binder. The overall trends of AE test results were consistent with those of mechanical tests. Keywords: Thermal cracking, Indirect tensile strength test, Compact tension test, Nondestructive approach, Acoustic emission test, Embrittlement temperature

  8. Fracture mechanical evaluation of high temperature structure and creep-fatigue defect assessment

    Energy Technology Data Exchange (ETDEWEB)

    Park, Chang Gyu; Kim, Jong Bum; Lee, Jae Han

    2004-02-01

    This study proposed the evaluation procedure of high temperature structures from the viewpoint of fracture mechanics on the cylindrical structure applicable to the KALIMER, which is developed by KAERI. For the evaluation of structural integrity, linear and non-linear fracture mechanics parameters were analyzed. Parameters used in creep defect growth applicable to high temperature structure of liquid metal reactor and the evaluation codes with these parameters were analyzed. The evaluation methods of defect initiation and defect growth which were established in R5/R6 code(UK), JNC method (Japan) and RCC-MR A16(France) code were analyzed respectively. The evaluation procedure of leak before break applicable to KALIMER was preliminarily developed and proposed. As an application example of defect growth, the creep-fatigue defect growth on circumferential throughwall defect in high temperature cylindrical structure was evaluated by RCC-MR A16 and this application technology was established.

  9. Proceedings of the Joint IAEA/CSNI Specialists' Meeting on Fracture Mechanics Verification by Large-Scale Testing

    International Nuclear Information System (INIS)

    1993-10-01

    This report provides the proceedings of a Specialists' Meeting on Fracture Mechanics Verification by Large-Scale Testing that was held in Oak Ridge, Tennessee, on October 23-25, 1992. The meeting was jointly sponsored by the International Atomic Energy Agency (IAEA) and the Nuclear Energy Agency (NEA) of the Organization for Economic Cooperation and Development. In particular, the International Working Group (IWG) on Life Management of Nuclear Power Plants (LMNPP) was the IAEA sponsor, and the Principal Working Group 3 (PWG-3) (Primary System Component Integrity) of the Committee for the Safety of Nuclear Installations (CSNI) was the NEA's sponsor. This meeting was preceded by two prior international activities that were designed to examine the state-of-the-art in fracture analysis capabilities and emphasized applications to the safety evaluation of nuclear power facilities. The first of those two activities was an IAEA Specialists' Meeting on Fracture Mechanics Verification by Large-Scale Testing that was held at the Staatliche Materialprufungsanstalt (MPA) in Stuttgart, Germany, on May 25-27, 1988; the proceedings of that meeting were published 1991.1 The second activity was the CSNI/PWG-3's Fracture Assessment Group's Project FALSIRE (Fracture Analyses of Large-Scale International Reference Experiments). The proceedings of the FALSIRE workshop that was held in Boston, Massachusetts, U.S.A., on May 8-10, 1990, was recently published by the Oak Ridge National Laboratory (ORNL). Those previous activities identified capabilities and shortcomings of various fracture analysis methods based on analyses of six available large-scale experiments. Different modes of fracture behavior, which ranged from brittle to ductile, were considered. In addition, geometry, size, constraint and multiaxial effects were considered. While generally good predictive capabilities were demonstrated for brittle fracture, issues were identified relative to predicting fracture behavior at higher

  10. Fatigue fracture of steel after mechanical and ultrasonic strengthening

    International Nuclear Information System (INIS)

    Stotskij, I.M.

    1978-01-01

    Fatigue fracture surfaces of samples after mechanical and ultrasonic strengthening have been studied metallographically and by electron fractography. Studied was the 40Kh steel hardened from 850 deg and then tempered at 180 deg or at 550 deg C. The ultrasound power was 25 kWt, the frequency was 20 kHz, the sample rotation velocity was 39.5 m/min. Mechanical and ultrasonic treatment was found to cause structural changes (formation of a white layer) and deformation of the material under the layer. The fatigue cracks were extending beyond the white layer; their propagation involved generation and coalescence of microcracks on account of segregation of carbides. It is concluded that mechanical and ultrasonic treatment should be used for increasing the fatigue strength of low and average strength materials rather than hardened or low-tempered ones

  11. Coupled hydrological-mechanical effects due to excavation of underground openings in unsaturated fractured rocks

    International Nuclear Information System (INIS)

    Montazer, P.

    1985-01-01

    One of the effects of excavating an underground opening in fractured rocks is a modification of the state of the stress in the rock mass in the vicinity of the opening. This effect causes changes in the geometry of the cross sections of the fracture planes, which in turn results in modification of the hydrologic properties of the fractures of the rock mass. The significance of the orientation of the fractures and their stiffness on the extent of the modification of the hydrologic properties as a result of excavation of underground openings is demonstrated. A conceptual model is presented to illustrate the complexity of the coupled hydrological-mechanical phenomena in the unsaturated zone. This conceptual model is used to develop an investigative program to assess the extent of the effect at a proposed repository site for storing high-level nuclear wastes

  12. Defect vectors and path integrals in fracture mechanics

    International Nuclear Information System (INIS)

    Roche, R.L.

    1979-01-01

    Several criteria have been proposed in Elastic Plastic Fracture Mechanics. One of the most interesting ones is the J 1 criterion where J 1 is a path integral surrounding the crack tip. Other path integrals (or surface integrals in 3D problems) can be used. But all these integrals are introduced on an elastic basis, though they are applied in plasticity. This paper shows that it is possible to introduce these integrals without any reference to the elastic behavior of the material. The method is based on the 'defect vector theory' which is an extension of the energy-momentum tensor theory. (orig.)

  13. Forecasts on service life by fracture mechanics methods

    International Nuclear Information System (INIS)

    Munz, D.

    1985-01-01

    The service life of many component parts can frequently be divided into the stages up to the formation of a crack and of crack propagation. This holds good of fatigue crack, stress corrosion crack, and also in many cases of creep. But often the crack propagation stage is the only one of interest for service life forecasts if cracks must be reckoned with already on putting parts into service. Cracks in welding constructions are typical examples. Crack- and -fracture mechanics deal with the laws underlying crack propagation and provide quantitative information on crack propagation behaviour. (orig./DG) [de

  14. The use of fracture mechanics for the evaluation of NDE flaw acceptance standards

    Energy Technology Data Exchange (ETDEWEB)

    Alicino, A; Capurro, E; Ansaldo, Sp; Corvi, A [Ansaldo SpA, Genoa (Italy)

    1988-12-31

    This document deals with the use of fracture mechanics criteria to evaluate the Non Destructive Examination (NDE) flaw acceptance standards. The communication discusses the general schemes and the guidelines of the activity carried out. (TEC).

  15. Investigations on the influence of the stress state on fracture-mechanical values

    International Nuclear Information System (INIS)

    Schmidt, P.

    1979-01-01

    Fracture toughness obtained from specimen can be applied to construction elements only when the same stress state exists. In standardised fracture-mechanical tests plain strain is realised. Using the stress intensity factor, a critical crack length or a critical load can be obtained. Above these values a crack propagates in an unstable way. The specimen are tested under uni-axial load. In this paper investigations have been made whether a biaxial load increases the stress state over the plain strain and whether consequently a decrease of the critical fracture toughness and a shift of the temperatures Tsub(g)sub(y) and Tsub(s) results which characterise the fracture behaviour of steel. In order to answer these questions the tests were made which induced due to their geometry an additional nominal stress parallel to the crack front in spite of uni-axial loading. The results were compared with those from specimen without an additional nominal stress and having in their cross section under same test conditions nearly the same plain strain. The fracture toughness of both specimen types were compared at temperatures between 142 K and 252 K and correlated to other material-characterising values. The tests were completed by stress analysis and by comparing the crack opening displacement. Due to the additional stress, Tsub(g)sub(y) was found to be 20 K higher than for the reference specimen. The fracture toughness decreases significantly in certain temperature ranges. The plastic stress concentration factor was comperatively higher and the remaining plastic crack opening decreases up to 25%. (orig.) [de

  16. A rock mechanics study of fracture zone 2 at the Finnsjoen site

    International Nuclear Information System (INIS)

    Leijon, B.; Ljunggren, C.

    1992-01-01

    Comprehensive field investigations at the Finnsjoen study site have revealed a subhorizontal zone, termed Zone 2, that exhibits anomalous characteristics in terms of high hydraulic conductivity, governing the groundwater transport pattern on a regional scale. The present study provides an assessment of the characteristics of Zone 2. Thus, estimates of the deformational characteristics of the zone, based on available borehole information, show that the zone forms a diffuse and rather moderate mechanical contrast to the surrounding bedrock. As also verified by stress measurement results, major stress anomalies attributable to the zone are therefore not to be expected. Bound estimates of stress conditions during periods of glaciation and deglaciation are also derived, and possible impacts of these loadings on the fracture zone are discussed. It is concluded that glaciation represents stable conditions, whilst the complex loading mechanisms encountered during deglaciation may trigger reactivation of structures at shallow depth. Taking the above results as an example, implications of a feature like Zone 2 on the integrity of a hypothetical repository are discussed in more general terms. Considering the likely spatial extension of the mechanical disturbances related to the repository excavations and the fracture zone respectively, it is suggested that a mutual distance of the order of one hundred metres is sufficient to avoid mechanical interaction. (au)

  17. Fracture Mechanics of Concrete

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    the international workshop on concrete fracture, organised by A Carpinteri, at Torino ... The next question is how to bring the size effect into codes of practice on the ... analysis of the recent collapse of the World Trade Center in New York by Z P ...

  18. The Role of Multi-wall Carbon Nanotubes on Fracture Mechanism of Epoxy Nanocomposite

    Directory of Open Access Journals (Sweden)

    M. Hooshiar Sadegian

    2008-12-01

    Full Text Available In order to investigate the role of multi-wall carbon nanotubes (MWCNTs on fracture mechanism of epoxy nanocomposites, a series of tensile standard specimens reinforced with different carbon nanotube contents (0, 0.3, 0.6 and 1 wt% were produced. The fracture surfaces of the produced nanocomposites were evaluated using scanning electron microscope (SEM. The results show that the surface fracture of epoxy nanocomposites comprised of three regions, i.e. mirror, transition and final propagation zones. The extension of all zones depends strongly on curing agent as well asMWCNTs content. The mirror zone is disappeared as curing agent and MWCNTs content increases, while the transition zone depends on the nucleation rate of secondary microcrack. The pattern of final propagation zone becomes coarser as MWCNTs are added to epoxy system.

  19. Fracture mechanisms in multilayer phosphorene assemblies: from brittle to ductile.

    Science.gov (United States)

    Liu, Ning; Hong, Jiawang; Zeng, Xiaowei; Pidaparti, Ramana; Wang, Xianqiao

    2017-05-24

    The outstanding mechanical performance of nacre has stimulated numerous studies on the design of artificial nacres. Phosphorene, a new two-dimensional (2D) material, has a crystalline in-plane structure and non-bonded interaction between adjacent flakes. Therefore, multi-layer phosphorene assemblies (MLPs), in which phosphorene flakes are piled up in a staggered manner, may exhibit outstanding mechanical performance, especially exceptional toughness. Therefore, molecular dynamics simulations are performed to study the dependence of the mechanical properties on the overlap distance between adjacent phosphorene layers and the number of phosphorene flakes per layer. The results indicate that when the flake number is equal to 1, a transition of fracture patterns is observed by increasing the overlap distance, from a ductile failure controlled by interfacial friction to a brittle failure dominated by the breakage of covalent bonds inside phosphorene flakes. Moreover, the failure pattern can be tuned by changing the number of flakes in each phosphorene layer. The results imply that the ultimate strength follows a power law with the exponent -0.5 in terms of the flake number, which is in good agreement with our analytical model. Furthermore, the flake number in each phosphorene layer is optimized as 2 when the temperature is 1 K in order to potentially achieve both high toughness and strength. Moreover, our results regarding the relations between mechanical performance and overlap distance can be explained well using a shear-lag model. However, it should be pointed out that increasing the temperature of MLPs could cause the transition of fracture patterns from ductile to brittle. Therefore, the optimal flake number depends heavily on temperature to achieve both its outstanding strength and toughness. Overall, our findings unveil the fundamental mechanism at the nanoscale for MLPs as well as provide a method to design phosphorene-based structures with targeted properties

  20. Long-term cumulative survival and mechanical complications of single-tooth Ankylos Implants: focus on the abutment neck fractures.

    Science.gov (United States)

    Shim, Hye Won; Yang, Byoung-Eun

    2015-12-01

    To evaluate the cumulative survival rate (CSR) and mechanical complications of single-tooth Ankylos® implants. This was a retrospective clinical study that analyzed 450 single Ankylos® implants installed in 275 patients between December 2005 and December 2012. The main outcomes were survival results CSR and implant failure) and mechanical complications (screw loosening, fracture, and cumulative fracture rate [CFR]). The main outcomes were analyzed according to age, sex, implant length or diameter, bone graft, arch, and position. The 8-year CSR was 96.9%. Thirteen (2.9%) implants failed because of early osseointegration failure in 3, marginal bone loss in 6, and abutment fracture in 4. Screw loosening occurred in 10 implants (2.2%), and 10 abutment fractures occurred. All abutment fractures were located in the neck, and concurrent screw fractures were observed. The CSR and rate of screw loosening did not differ significantly according to factors. The CFR was higher in middle-aged patients (5.3% vs 0.0% in younger and older patients); for teeth in a molar position (5.8% vs 0.0% for premolar or 1.1% for anterior position); and for larger-diameter implants (4.5% for 4.5 mm and 6.7% for 5.5 mm diameter vs 0.5% for 3.5 mm diameter) (all Pabutment fractures (2.2%) were observed and some fractures resulted in implant failures. Middle-aged patients, the molar position, and a large implant diameter were associated with a high incidence of abutment fracture.

  1. The mechanical benefit of medial support screws in locking plating of proximal humerus fractures.

    Directory of Open Access Journals (Sweden)

    Wen Zhang

    Full Text Available BACKGROUND: The purpose of this study was to evaluate the biomechanical advantages of medial support screws (MSSs in the locking proximal humeral plate for treating proximal humerus fractures. METHODS: Thirty synthetic left humeri were randomly divided into 3 subgroups to establish two-part surgical neck fracture models of proximal humerus. All fractures were fixed with a locking proximal humerus plate. Group A was fixed with medial cortical support and no MSSs; Group B was fixed with 3 MSSs but without medial cortical support; Group C was fixed with neither medial cortical support nor MSSs. Axial compression, torsional stiffness, shear stiffness, and failure tests were performed. RESULTS: Constructs with medial support from cortical bone showed statistically higher axial and shear stiffness than other subgroups examined (P<0.0001. When the proximal humerus was not supported by medial cortical bone, locking plating with medial support screws exhibited higher axial and torsional stiffness than locking plating without medial support screws (P ≤ 0.0207. Specimens with medial cortical bone failed primarily by fracture of the humeral shaft or humeral head. Specimens without medial cortical bone support failed primarily by significant plate bending at the fracture site followed by humeral head collapse or humeral head fracture. CONCLUSIONS: Anatomic reduction with medial cortical support was the stiffest construct after a simulated two-part fracture. Significant biomechanical benefits of MSSs in locking plating of proximal humerus fractures were identified. The reconstruction of the medial column support for proximal humerus fractures helps to enhance mechanical stability of the humeral head and prevent implant failure.

  2. Validation of a fracture mechanics approach to nuclear transportation cask design through a drop test program

    International Nuclear Information System (INIS)

    Sorenson, K.B.

    1986-01-01

    Sandia National Laboratories (SNL), under contract to the Department of Energy, is conducting a research program to develop and validate a fracture mechanics approach to cask design. A series of drop tests of a transportation cask is planned for the summer of 1986 as the method for benchmarking and, thereby, validating the fracture mechanics approach. This paper presents the drop test plan and background leading to the development of the test plan including structural analyses, material characterization, and non-destructive evaluation (NDE) techniques necessary for defining the test plan properly

  3. A general mixed mode fracture mechanics test specimen: The DCB-specimen loaded with uneven bending moments

    DEFF Research Database (Denmark)

    Sørensen, Bent F.; Jørgensen, K.; Jacobsen, T.K.

    2004-01-01

    A mixed mode specimen is proposed for fracture mechanics characterisation of adhesive joints, laminates and multilayers. The specimen is a double cantilever beam specimen loaded with uneven bending moments at the two free beams. By varying the ratiobetween the two applied moments, the full mode...... glass-fibre laminates was studied. The mixed mode fracture resistance increased with increasing crack length due to fibre bridging, eventually reaching asteady-state level (R-curve behaviour). The steady-state fracture toughness level increased with increasing tangential crack opening displacement....

  4. Atomistic simulation of rapid compression of fractured silicon carbide

    International Nuclear Information System (INIS)

    Romano, A.; Li, J.; Yip, S.

    2006-01-01

    Deformation mechanisms of a crack in silicon carbide under high-rate compression are investigated by molecular dynamics simulation. The penny-shaped crack is in tension throughout the simulation while a variable compression is applied in an in-plane direction. Two different mechanisms of crack-tip response are observed: (1) At low tension, a disordered band forms from the crack surface in the direction orthogonal to the compression, which grows as the compressional force is increased in a manner suggesting a stress-induced transition from an ordered to a disordered phase. Moreover the crack is observed to close. (2) At a tension sufficient to allow the crack to remain open, the compressional stress induces formation of disordered regions along the boundaries of the opened crack, which grow and merge into a band as the compression proceeds. This process is driven by bending of the initial crack, which transforms into a curved slit. This mechanism induces incorporation of fragments of perfect crystal into the disordered band. Similar mechanisms have been experimentally observed to occur in porous SiC under high-strain rate compression

  5. Atomistically informed solute drag in Al–Mg

    International Nuclear Information System (INIS)

    Zhang, F; Curtin, W A

    2008-01-01

    Solute drag in solute-strengthened alloys, caused by diffusion of solute atoms around moving dislocations, controls the stress at deformation rates and temperatures useful for plastic forming processes. In the technologically important Al–Mg alloys, the solute drag stresses predicted by classical theories are much larger than experiments, which is resolved in general by eliminating the singularity of the dislocation core via Peierls–Nabarro-type models. Here, the drag stress versus dislocation velocity is computed numerically using a realistic dislocation core structure obtained from an atomistic model to investigate the role of the core and obtain quantitative stresses for comparison with experiment. The model solves a discrete diffusion equation in a reference frame moving with the dislocation, with input solute enthalpies and diffusion activation barriers in the core computed by or estimated from atomistic studies. At low dislocation velocities, the solute drag stress is controlled by bulk solute diffusion because the core diffusion occurs too quickly. In this regime, the drag stress can be obtained using a Peierls–Nabarro model with a core spreading parameter tuned to best match the atomistic models. At intermediate velocities, both bulk and core diffusion can contribute to the drag, leading to a complex stress–velocity relationship showing two peaks in stress. At high velocities, the drag stress is controlled solely by diffusion within and across the core. Like the continuum models, the drag stress is nearly linear in solute concentration. The Orowan relationship is used to connect dislocation velocity to deformation strain rate. Accounting for the dependence of mobile dislocation density on stress, the simulations are in good agreement with experiments on Al–Mg alloys over a range of concentrations and temperatures

  6. Adhesive contact: from atomistic model to continuum model

    International Nuclear Information System (INIS)

    Fan Kang-Qi; Jia Jian-Yuan; Zhu Ying-Min; Zhang Xiu-Yan

    2011-01-01

    Two types of Lennard-Jones potential are widely used in modeling adhesive contacts. However, the relationships between the parameters of the two types of Lennard-Jones potential are not well defined. This paper employs a self-consistent method to derive the Lennard-Jones surface force law from the interatomic Lennard-Jones potential with emphasis on the relationships between the parameters. The effect of using correct parameters in the adhesion models is demonstrated in single sphere-flat contact via continuum models and an atomistic model. Furthermore, the adhesion hysteresis behaviour is investigated, and the S-shaped force-distance relation is revealed by the atomistic model. It shows that the adhesion hysteresis loop is generated by the jump-to-contact and jump-off-contact, which are illustrated by the S-shaped force-distance curve. (atomic and molecular physics)

  7. Flexible parallel implicit modelling of coupled thermal–hydraulic–mechanical processes in fractured rocks

    Directory of Open Access Journals (Sweden)

    M. Cacace

    2017-09-01

    Full Text Available Theory and numerical implementation describing groundwater flow and the transport of heat and solute mass in fully saturated fractured rocks with elasto-plastic mechanical feedbacks are developed. In our formulation, fractures are considered as being of lower dimension than the hosting deformable porous rock and we consider their hydraulic and mechanical apertures as scaling parameters to ensure continuous exchange of fluid mass and energy within the fracture–solid matrix system. The coupled system of equations is implemented in a new simulator code that makes use of a Galerkin finite-element technique. The code builds on a flexible, object-oriented numerical framework (MOOSE, Multiphysics Object Oriented Simulation Environment which provides an extensive scalable parallel and implicit coupling to solve for the multiphysics problem. The governing equations of groundwater flow, heat and mass transport, and rock deformation are solved in a weak sense (either by classical Newton–Raphson or by free Jacobian inexact Newton–Krylow schemes on an underlying unstructured mesh. Nonlinear feedbacks among the active processes are enforced by considering evolving fluid and rock properties depending on the thermo-hydro-mechanical state of the system and the local structure, i.e. degree of connectivity, of the fracture system. A suite of applications is presented to illustrate the flexibility and capability of the new simulator to address problems of increasing complexity and occurring at different spatial (from centimetres to tens of kilometres and temporal scales (from minutes to hundreds of years.

  8. Application of fracture mechanics to weldments; Bruchmechanische Bewertung von Schweissverbindungen

    Energy Technology Data Exchange (ETDEWEB)

    Zerbst, U.; Kocak, M. [GKSS-Forschungszentrum Geesthacht GmbH (Germany). Inst. fuer Werkstofforschung; Huebner, P. [Technische Univ. Bergakademie Freiberg (Germany)

    2002-07-01

    Weldments have been a major topic of engineering fracture mechanics research for many years as it shows up in the immense number of scientific papers published recently. Part of this generated knowledge has already been implemented in some industrial codes and standards. The focussing on weldments has its own reason in the utmost importance of this class of components in many industrial fields, but also in its susceptibility to the formation of defects during manufacturing and cracks in service, which promotes the danger of component failure. The present report is addressed to designers and material testers to provide updated information on the present state-of-the-art of fracture mechanics application to weldments. (orig.) [German] Schweissverbindungen bilden seit vielen Jahren einen Schwerpunkt der anwendungsnahen bruchmechanischen Forschung, was seinen Niederschlag in einer nahezu unuebersehbaren Fuelle an wissenschaftlichen Publikationen findet. Ein Teil der Ergebnisse hat bereits Eingang in industrienahe bruchmechanische Bewertungsvorschriften gefunden. Die Konzentration auf Schweissverbindungen hat ihre Ursache in der immensen Bedeutung dieser Bauteilklasse fuer viele Gebiete der Volkswirtschaft, aber auch in ihrer besonderen Anfaelligkeit zur Rissbildung in der Fertigung und im Betrieb und damit hinsichtlich der Gefahr von Bauteilversagen. Der vorliegende Beitrag wendet sich an Konstrukteure und Werkstoffpruefer, die einen Einblick in den gegenwaertigen Stand der Ingenieurbruchmechanik an Schweissverbindungen gewinnen wollen. (orig.)

  9. The COD concept and its application to fracture mechanical evaluation of cracked components

    International Nuclear Information System (INIS)

    Kockelmann, H.

    1984-01-01

    Based on a comprehensive literature study, this report critically evaluates the current state of experiences with the COD concept in fracture mechanics. First the concept is explained and the procedure of materials testing with a view to fracture mechanics is discussed in detail with emphasis on: The definition of crack shape modification; the procedure to detect crack modification, with subsequent comparison; the determination of material characteristics; the impact on the characteristics of the crack tip opening and the dispersion of results. The correlation between crack tip opening characteristics and notch impact strength is explained, and the methods applied for analysis of the streses affecting the structural components are shown. The design-based and failure threshold curves and the treatment of real crack geometries are also discussed. Problems still to be solved are shown. (orig./HP) [de

  10. Evaluation of Fibular Fracture Type vs Location of Tibial Fixation of Pilon Fractures.

    Science.gov (United States)

    Busel, Gennadiy A; Watson, J Tracy; Israel, Heidi

    2017-06-01

    Comminuted fibular fractures can occur with pilon fractures as a result of valgus stress. Transverse fibular fractures can occur with varus deformation. No definitive guide for determining the proper location of tibial fixation exists. The purpose of this study was to identify optimal plate location for fixation of pilon fractures based on the orientation of the fibular fracture. One hundred two patients with 103 pilon fractures were identified who were definitively treated at our institution from 2004 to 2013. Pilon fractures were classified using the AO/OTA classification and included 43-A through 43-C fractures. Inclusion criteria were age of at least 18 years, associated fibular fracture, and definitive tibial plating. Patients were grouped based on the fibular component fracture type (comminuted vs transverse), and the location of plate fixation (medial vs lateral) was noted. Radiographic outcomes were assessed for mechanical failures. Forty fractures were a result of varus force as evidenced by transverse fracture of the fibula and 63 were due to valgus force with a comminuted fibula. For the transverse fibula group, 14.3% mechanical complications were noted for medially placed plate vs 80% for lateral plating ( P = .006). For the comminuted fibular group, 36.4% of medially placed plates demonstrated mechanical complications vs 16.7% for laterally based plates ( P = .156). Time to weight bearing as tolerated was also noted to be significant between groups plated medially and laterally for the comminuted group ( P = .013). Correctly assessing the fibular component for pilon fractures provides valuable information regarding deforming forces. To limit mechanical complications, tibial plates should be applied in such a way as to resist the original deforming forces. Level of Evidence Level III, comparative study.

  11. Seismic characteristics of tensile fracture growth induced by hydraulic fracturing

    Science.gov (United States)

    Eaton, D. W. S.; Van der Baan, M.; Boroumand, N.

    2014-12-01

    Hydraulic fracturing is a process of injecting high-pressure slurry into a rockmass to enhance its permeability. Variants of this process are used for unconventional oil and gas development, engineered geothermal systems and block-cave mining; similar processes occur within volcanic systems. Opening of hydraulic fractures is well documented by mineback trials and tiltmeter monitoring and is a physical requirement to accommodate the volume of injected fluid. Numerous microseismic monitoring investigations acquired in the audio-frequency band are interpreted to show a prevalence of shear-dominated failure mechanisms surrounding the tensile fracture. Moreover, the radiated seismic energy in the audio-frequency band appears to be a miniscule fraction (<< 1%) of the net injected energy, i.e., the integral of the product of fluid pressure and injection rate. We use a simple penny-shaped crack model as a predictive framework to describe seismic characteristics of tensile opening during hydraulic fracturing. This model provides a useful scaling relation that links seismic moment to effective fluid pressure within the crack. Based on downhole recordings corrected for attenuation, a significant fraction of observed microseismic events are characterized by S/P amplitude ratio < 5. Despite the relatively small aperture of the monitoring arrays, which precludes both full moment-tensor analysis and definitive identification of nodal planes or axes, this ratio provides a strong indication that observed microseismic source mechanisms have a component of tensile failure. In addition, we find some instances of periodic spectral notches that can be explained by an opening/closing failure mechanism, in which fracture propagation outpaces fluid velocity within the crack. Finally, aseismic growth of tensile fractures may be indicative of a scenario in which injected energy is consumed to create new fracture surfaces. Taken together, our observations and modeling provide evidence that

  12. Correlating Scatter in Fatigue Life with Fracture Mechanisms in Forged Ti-6242Si Alloy

    Science.gov (United States)

    Sinha, V.; Pilchak, A. L.; Jha, S. K.; Porter, W. J.; John, R.; Larsen, J. M.

    2018-04-01

    Unlike the quasi-static mechanical properties, such as strength and ductility, fatigue life can vary significantly (by an order of magnitude or more) for nominally identical material and test conditions in many materials, including Ti-alloys. This makes life prediction and management more challenging for components that are subjected to cyclic loading in service. The differences in fracture mechanisms can cause the scatter in fatigue life. In this study, the fatigue fracture mechanisms were investigated in a forged near- α titanium alloy, Ti-6Al-2Sn-4Zr-2Mo-0.1Si, which had been tested under a condition that resulted in life variations by more than an order of magnitude. The crack-initiation and small crack growth processes, including their contributions to fatigue life variability, were elucidated via quantitative characterization of fatigue fracture surfaces. Combining the results from quantitative tilt fractography and electron backscatter diffraction, crystallography of crack-initiating and neighboring facets on the fracture surface was determined. Cracks initiated on the surface for both the shortest and the longest life specimens. The facet plane in the crack-initiating grain was aligned with the basal plane of a primary α grain for both the specimens. The facet planes in grains neighboring the crack-initiating grain were also closely aligned with the basal plane for the shortest life specimen, whereas the facet planes in the neighboring grains were significantly misoriented from the basal plane for the longest life specimen. The difference in the extent of cracking along the basal plane can explain the difference in fatigue life of specimens at the opposite ends of scatter band.

  13. Hydraulic fracturing of rock-fill dam

    Directory of Open Access Journals (Sweden)

    Jun-Jie WANG

    2016-02-01

    Full Text Available The condition in which hydraulic fracturing in core of earth-rock fill dam maybe induced, the mechanism by which the reason of hydraulic fracturing canbe explained, and the failure criterion by which the occurrence of hydraulicfracturing can be determined, were investigated. The condition dependson material properties such as, cracks in the core and low permeability ofcore soil, and “water wedging” action in cracks. An unsaturated core soiland fast impounding are the prerequisites for the formation of “waterwedging” action. The mechanism of hydraulic fracturing can be explainedby fracture mechanics. The crack propagation induced by water pressuremay follow any of mode I, mode II and mixed mode I-II. Based on testingresults of a core soil, a new criterion for hydraulic fracturing was suggested,from which mechanisms of hydraulic fracturing in the core of rock-fill damwere discussed. The results indicated that factors such as angle betweencrack surface and direction of principal stress, local stress state at thecrack, and fracture toughness KIC of core soil may largely affect theinduction of hydraulic fracturing and the mode of the propagation of thecrack.The condition in which hydraulic fracturing in core of earth-rock fill dam maybe induced, the mechanism by which the reason of hydraulic fracturing canbe explained, and the failure criterion by which the occurrence of hydraulicfracturing can be determined, were investigated. The condition dependson material properties such as, cracks in the core and low permeability ofcore soil, and “water wedging” action in cracks. An unsaturated core soiland fast impounding are the prerequisites for the formation of “waterwedging” action. The mechanism of hydraulic fracturing can be explainedby fracture mechanics. The crack propagation induced by water pressuremay follow any of mode I, mode II and mixed mode I-II. Based on testingresults of a core soil, a new criterion for hydraulic fracturing

  14. Dynamic fracture mechanics with electromagnetic force and its application to fracture toughness and testing

    International Nuclear Information System (INIS)

    Yagawa, G.; Yoshimura, S.

    1986-01-01

    This study is concerned with the application of the electromagnetic force to the determination of the dynamic fracture toughness of materials. Taken is an edge-cracked specimen which carries a transient electric current I and is simply supported in a uniform and steady magnetic field B. As a result of their interaction, the dynamic electromagnetic force occurs in the whole body of the specimen, which is then deformed to fracture in the opening mode of cracking. For the evaluation of dynamic fracture toughness, the extended J integral with the effects of the electromagnetic force and inertia is calculated using the dynamic finite-element method. To determine the dynamic crack-initiation point in the experiment, the electric potential method is used in the case of brittle fracture, and the electric potential and the J-R curve methods in the case of ductile fracture, respectively. Using these techniques, the dynamic fracture toughness values of nuclear pressure vessel steel A508 class 3 are evaluated over a wide temperature range. (author)

  15. Fracture mechanics of piezoelectric solids with interface cracks

    CERN Document Server

    Govorukha, Volodymyr; Loboda, Volodymyr; Lapusta, Yuri

    2017-01-01

    This book provides a comprehensive study of cracks situated at the interface of two piezoelectric materials. It discusses different electric boundary conditions along the crack faces, in particular the cases of electrically permeable, impermeable, partially permeable, and conducting cracks. The book also elaborates on a new technique for the determination of electromechanical fields at the tips of interface cracks in finite sized piezoceramic bodies of arbitrary shape under different load types. It solves scientific problems of solid mechanics in connection with the investigation of electromechanical fields in piezoceramic bodies with interface cracks, and develops calculation models and solution methods for plane fracture mechanical problems for piecewise homogeneous piezoceramic bodies with cracks at the interfaces. It discusses the “open” crack model, which leads to a physically unrealistic oscillating singularity at the crack tips, and the contact zone model for in-plane straight interface cracks betw...

  16. Atomistic Molecular Dynamics Simulations of Mitochondrial DNA Polymerase γ

    DEFF Research Database (Denmark)

    Euro, Liliya; Haapanen, Outi; Róg, Tomasz

    2017-01-01

    of replisomal interactions, and functional effects of patient mutations that do not affect direct catalysis have remained elusive. Here we report the first atomistic classical molecular dynamics simulations of the human Pol γ replicative complex. Our simulation data show that DNA binding triggers remarkable......DNA polymerase γ (Pol γ) is a key component of the mitochondrial DNA replisome and an important cause of neurological diseases. Despite the availability of its crystal structures, the molecular mechanism of DNA replication, the switch between polymerase and exonuclease activities, the site...... changes in the enzyme structure, including (1) completion of the DNA-binding channel via a dynamic subdomain, which in the apo form blocks the catalytic site, (2) stabilization of the structure through the distal accessory β-subunit, and (3) formation of a putative transient replisome-binding platform...

  17. Wear resistance and fracture mechanics of WC-Co composites

    International Nuclear Information System (INIS)

    Kaytbay, Saleh; El-Hadek, Medhat

    2014-01-01

    Manufacturing of WC-Co composites using the electroless precipitation method at different sintering temperatures of 1 100, 1 250, 1 350 and 1 500 C was successfully achieved. The chemical composition of the investigated materials was 90 wt.% WC with 10 wt.% Co, and 80 wt.% WC with 20 wt.% Co. The specific density, densification, and Vickers microhardness measurements were found to increase with increased sintering temperature for both the WC-Co compositions. The composites of tungsten carbide with 10 wt.% Co had a higher specific density and Vickers microhardness measurements than those for the composites of tungsten carbide with 20 wt.% Co. Composites with WC-10 wt.% Co had better wear resistance. The stress-strain and transverse rupture strength increased monotonically with the increase in sintering temperatures, agreeing with the material hardness and wear resistance behavior. Fractographical scanning electron microscopy analysis of the fracture surface demonstrated a rough characteristic conical shape failure in the direction of the maximum shear stress. A proposed mechanism for the formation of the conical fracture surface under compression testing is presented. (orig.)

  18. High temperature fracture of ceramic materials

    International Nuclear Information System (INIS)

    Wiederhorn, S.M.

    1979-01-01

    A review is presented of fracture mechanisms and methods of lifetime prediction in ceramic materials. Techniques of lifetime prediction are based on the science of fracture mechanics. Application of these techniques to structural ceramics is limited by our incomplete understanding of fracture mechanisms in these materials, and by the occurrence of flaw generation in these materials at elevated temperatures. Research on flaw generation and fracture mechanisms is recommended as a way of improving the reliability of structural ceramics

  19. Practical application of fracture mechanics with consideration of multiaxiality of stress state to degraded nuclear piping

    International Nuclear Information System (INIS)

    Kussmaul, K.; Blind, D.; Herter, K.H.; Eisele, U.; Schuler, X.

    1995-01-01

    Within the scope of a research project nuclear piping components (T-branches and elbows) with dimensions like the primary coolant lines of PWR plants were investigated. In addition to the experimental full scale tests, extensive numerical calculations by means of the finite element method (FEM) as well as fracture mechanics analyses were performed. The applicability of these methods was verified by comparison with the experimental results. The calculation of fracture mechanics parameters as well as the calculated component stress enabled a statement on crack initiation. The failure behavior could be evaluated by means of the multiaxiality of stress state in the ligament (gradient of the quotient of the multiaxiality of stress state q). With respect to practical application on other pressurized components it is shown how to use the procedure (e.g. in a LBB analysis). A quantitative assessment with regard to crack initiation is possible by comparison of the effective crack initiation value J ieff with the calculated component stress. If the multiaxiality of stress state and the q gradient in the ligament of the fracture ligament of the fracture mechanics specimen and the pressurized component to be evaluated is comparable a quantitative assessment is possible as for crack extension and maximum load. If there is no comparability of the gradients a qualitative assessment is possible for the failure behavior

  20. Setting reinspection intervals for seam welded piping by use of probabilistic fracture mechanics and target reliability values

    International Nuclear Information System (INIS)

    Harris, D.O.; Dedhia, D.

    1995-01-01

    The purpose of this paper is to describe a procedure for the selection of a reinspection interval for defects found during an inspection. The procedure is based on probabilistic fracture mechanics calculations of the reliability of the component into the future and selection of an inspection time based on maintaining the target value reliability. The selection of a target value based on the risk of everyday activities is discussed. The procedure is applied to high temperature seam welded piping as an example, because the probabilistic fracture mechanics tools are relatively readily available and this is a problem of great current interest. The results obtained in the example problem indicate reinspection intervals much shorter than field experience would suggest. This indicates a conservatism in the fracture mechanics procedures and/or lack of accurate characterization of scatter in material properties due to lack of data. The general procedure should prove useful in the disposition of detected cracks in a wide variety of situations

  1. Probabilistic fracture mechanics analysis for the life extension estimate of the high flux isotope reactor vessel

    International Nuclear Information System (INIS)

    Chang, S.J.

    1997-01-01

    The state of the vessel steel embrittlement as a result of neutron irradiation can be measured by its increase in the nil ductility temperature (NDT). This temperature is sometimes referred to as the brittle-ductile transition temperature (DBT) for fracture. The life extension of the High Flux Isotope Reactor (HFIR) vessel is calculated by using the method of fracture mechanics. A new method of fracture probability calculation is presented in this paper. The fracture probability as a result of the hydrostatic pressure test (hydrotest) is used to determine the life of the vessel. The hydrotest is performed in order to determine a safe vessel static pressure. It is then followed by using fracture mechanics to project the safe reactor operation time from the time of the satisfactory hydrostatic test. The life extension calculation provides the following information on the remaining life of the reactor as a function of the NDT increase: (1) the life of the vessel is determined by the probability of vessel fracture as a result of hydrotest at several hydrotest pressures and vessel embrittlement conditions, (2) the hydrotest time interval vs the NDT increase rate, and (3) the hydrotest pressure vs the NDT increase rate. It is understood that the use of a complete range of uncertainties of the NDT increase is equivalent to the entire range of radiation damage that can be experienced by the vessel steel. From the numerical values for the probabilities of the vessel fracture as a result of hydrotest, it is estimated that the reactor vessel life can be extended up to 50 EFPY (100 MW) with the minimum vessel operating temperature equal to 85 degrees F

  2. Double segmental tibial fractures - an unusual fracture pattern

    Directory of Open Access Journals (Sweden)

    Bali Kamal

    2012-02-01

    Full Text Available 【Abstract】A case of a 50-year-old pedestrian who was hit by a bike and suffered fractures of both bones of his right leg was presented. Complete clinical and radiographic assessment showed double segmental fractures of the tibia and multisegmental fractures of the fibula. Review of the literature revealed that this fracture pattern was unique and only a single case was reported so far. Moreover, we discussed the possible mechanisms which can lead to such an injury. We also discussed the management of segmental tibial fracture and the difficulties encountered with them. This case was managed by modern osteosynthesis tech- nique with a pleasing outcome. Key words: Fracture, bone; Tibia; Fibula; Nails

  3. State of the Art Report on Fracture Mechanics (Fracture in the Creep Range). Volume 3: Appendices H - M

    International Nuclear Information System (INIS)

    Ellison, E.G.; Musicco, G.G.; Pineau, A.

    1988-01-01

    A CEC State of the Art Report on Fracture Mechanics for Fast Breeder Reactors (Fracture below the Creep Range) has recently been published by Bhandari and coworkers (1984). There has also been a compilation of Creep Crack Growth Data from Germany, France and the U.K. for 304 and 316 stainles steel by Lloyd et al (1984). The present Report provides considerably more data and analytical techniques taken from Worldwide sources on creep crack initiation and propagation. Since the subject is moving quickly there is an emphasis on the most recent work; indeed research studies as yet unpublished are also included. The total Report is in 3 volumes. Volume 3 contains the most important and up-to-date information in some detail in Appendices H to M; this provides a sound base for the Report and for future workers

  4. State of the Art Report on Fracture Mechanics (Fracture in the Creep Range). Volume 2: Appendices A - G

    International Nuclear Information System (INIS)

    Ellison, E.G.; Musicco, G.G.; Pineau, A.

    1988-01-01

    A CEC State of the Art Report on Fracture Mechanics for Fast Breeder Reactors (Fracture below the Creep Range) has recently been published by Bhandari and coworkers (1984). There has also been a compilation of Creep Crack Growth Data from Germany, France and the U.K. for 304 and 316 stainles steel by Lloyd et al (1984). The present Report provides considerably more data and analytical techniques taken from Worldwide sources on creep crack initiation and propagation. Since the subject is moving quickly there is an emphasis on the most recent work; indeed research studies as yet unpublished are also included. The total Report is in 3 volumes. Volume 2 contains the most important and up-to-date information in some detail in Appendices A to G; this provides a sound base for the Report and for future workers

  5. Rock fracture processes in chemically reactive environments

    Science.gov (United States)

    Eichhubl, P.

    2015-12-01

    Rock fracture is traditionally viewed as a brittle process involving damage nucleation and growth in a zone ahead of a larger fracture, resulting in fracture propagation once a threshold loading stress is exceeded. It is now increasingly recognized that coupled chemical-mechanical processes influence fracture growth in wide range of subsurface conditions that include igneous, metamorphic, and geothermal systems, and diagenetically reactive sedimentary systems with possible applications to hydrocarbon extraction and CO2 sequestration. Fracture processes aided or driven by chemical change can affect the onset of fracture, fracture shape and branching characteristics, and fracture network geometry, thus influencing mechanical strength and flow properties of rock systems. We are investigating two fundamental modes of chemical-mechanical interactions associated with fracture growth: 1. Fracture propagation may be aided by chemical dissolution or hydration reactions at the fracture tip allowing fracture propagation under subcritical stress loading conditions. We are evaluating effects of environmental conditions on critical (fracture toughness KIc) and subcritical (subcritical index) fracture properties using double torsion fracture mechanics tests on shale and sandstone. Depending on rock composition, the presence of reactive aqueous fluids can increase or decrease KIc and/or subcritical index. 2. Fracture may be concurrent with distributed dissolution-precipitation reactions in the hostrock beyond the immediate vicinity of the fracture tip. Reconstructing the fracture opening history recorded in crack-seal fracture cement of deeply buried sandstone we find that fracture length growth and fracture opening can be decoupled, with a phase of initial length growth followed by a phase of dominant fracture opening. This suggests that mechanical crack-tip failure processes, possibly aided by chemical crack-tip weakening, and distributed solution-precipitation creep in the

  6. Source Mechanisms of Low Frequency Seismicity in a Hydraulic Fracturing Context

    Science.gov (United States)

    Zecevic, M.; Daniel, G.; Hubans, F.; Gouedard, P.

    2014-12-01

    In recent years, long-period long-duration (LPLD) events have been observed during hydraulic fracturing of hydrocarbon reservoirs (Das & Zoback, 2013). LPLDs are low-amplitude signals lasting from tens of seconds to minutes. Their source mechanisms are not fully understood. However, as they are remarkably similar in character to tectonic tremors it has been suggested that they may also have comparable source models. Current models suggest that a tectonic tremor consists of numerous slow-slip earthquakes superposed on each other to form continuous waveforms (Shelley et al., 2007). These slow-slip earthquakes are thought to be a result of shear slip on faults close to failure with low confining pressure, most likely due to the presence of fluid with pore pressures close to lithostatic pressures (Peng & Gomberg, 2010). This study aims to further understand the source mechanism of LPLDs. A hydraulic fracturing dataset containing thousands of located microseismic earthquakes (MEQs) and numerous LPLDs is presented. The MEQs are located around the injection stages whereas the LPLDs are clustered in a limited region within the reservoir. This clustering suggests that LPLDs can only be generated where the conditions in the reservoir are favorable. These results correspond with the possibility that LPLDs are manifestations of slow-slip, with the source locations confined by variations in the mechanical properties of the reservoir. To test this hypothesis a further understanding of the mechanisms of LPLDs and the stress field in which they occur is needed. However, calculating focal mechanisms for LPLDs is difficult due to their emergent onset and lack of clear phases. Consequently, LPLDs must be put into context with the observed MEQs. We will present the spatial distribution of the focal mechanisms of the MEQs and analyze our findings with respect to the occurrence of the LPLD events.

  7. Development of a new code to solve hydro-mechanical coupling, shear failure and tensile failure due to hydraulic fracturing operations.

    Science.gov (United States)

    María Gómez Castro, Berta; De Simone, Silvia; Carrera, Jesús

    2016-04-01

    Nowadays, there are still some unsolved relevant questions which must be faced if we want to proceed to the hydraulic fracturing in a safe way. How much will the fracture propagate? This is one of the most important questions that have to be solved in order to avoid the formation of pathways leading to aquifer targets and atmospheric release. Will the fracture failure provoke a microseismic event? Probably this is the biggest fear that people have in fracking. The aim of this work (developed as a part of the EU - FracRisk project) is to understand the hydro-mechanical coupling that controls the shear of existing fractures and their propagation during a hydraulic fracturing operation, in order to identify the key parameters that dominate these processes and answer the mentioned questions. This investigation focuses on the development of a new C++ code which simulates hydro-mechanical coupling, shear movement and propagation of a fracture. The framework employed, called Kratos, uses the Finite Element Method and the fractures are represented with an interface element which is zero thickness. This means that both sides of the element lie together in the initial configuration (it seems a 1D element in a 2D domain, and a 2D element in a 3D domain) and separate as the adjacent matrix elements deform. Since we are working in hard, fragile rocks, we can assume an elastic matrix and impose irreversible displacements in fractures when rock failure occurs. The formulation used to simulate shear and tensile failures is based on the analytical solution proposed by Okada, 1992 and it is part of an iterative process. In conclusion, the objective of this work is to employ the new code developed to analyze the main uncertainties related with the hydro-mechanical behavior of fractures derived from the hydraulic fracturing operations.

  8. Nanoscale Stress-Corrosion of Geomaterials in Aqueous Solutions

    Science.gov (United States)

    Criscenti, L. J.; Rimsza, J. M.; Matteo, E. N.; Jones, R. E.

    2017-12-01

    Predicting subcritical crack propagation in low-permeability geo-materials is an unsolved problem crucial to assessing shale caprocks at CO2 sequestration sites, and controlling fracturing for gas and oil extraction. Experiments indicate that chemical reactions at fluid-material interfaces play a major role in subcritical crack growth by weakening the material and altering crack nucleation and growth rates. However, understanding subsurface fracture has been hindered by a lack of understanding of the mechanisms relating chemical environment to mechanical outcome, and a lack of capability directly linking atomistic insight to macroscale observables. We are using both molecular simulation and experiment to develop an atomistic-level understanding of the chemical-mechanical coupling that controls subcritical crack propagation. We are investigating fracture of isotropic silica glass in different environments (air, distilled water, and Na+-rich solutions) and will extend our research to include clay minerals in shales. Molecular simulations are performed with ReaxFF, a reactive force field that allows for explicit modeling of bond breaking and formation processes during crack propagation. A coarse-graining method produces calculated fracture toughness values from the atomistic data. We are performing double cleavage drilled compression (DCDC) experiments in aqueous environmental chambers and monitoring crack propagation with either a confocal or atomic force microscope. Our results show that silica fracture toughness decreases as the environment changes from air to distilled water to Na+-rich solutions. These results suggest that our newly developed computational and experimental techniques can be used to investigate the impact of fluid composition on crack growth in geo-materials and that we will be able to use these methods to understand coupled chemo-mechanical processes and predict crack propagation in shale minerals. Sandia National Laboratories is a multimission

  9. Study of gas production from shale reservoirs with multi-stage hydraulic fracturing horizontal well considering multiple transport mechanisms

    Science.gov (United States)

    Wei, Mingzhen; Liu, Hong

    2018-01-01

    Development of unconventional shale gas reservoirs (SGRs) has been boosted by the advancements in two key technologies: horizontal drilling and multi-stage hydraulic fracturing. A large number of multi-stage fractured horizontal wells (MsFHW) have been drilled to enhance reservoir production performance. Gas flow in SGRs is a multi-mechanism process, including: desorption, diffusion, and non-Darcy flow. The productivity of the SGRs with MsFHW is influenced by both reservoir conditions and hydraulic fracture properties. However, rare simulation work has been conducted for multi-stage hydraulic fractured SGRs. Most of them use well testing methods, which have too many unrealistic simplifications and assumptions. Also, no systematical work has been conducted considering all reasonable transport mechanisms. And there are very few works on sensitivity studies of uncertain parameters using real parameter ranges. Hence, a detailed and systematic study of reservoir simulation with MsFHW is still necessary. In this paper, a dual porosity model was constructed to estimate the effect of parameters on shale gas production with MsFHW. The simulation model was verified with the available field data from the Barnett Shale. The following mechanisms have been considered in this model: viscous flow, slip flow, Knudsen diffusion, and gas desorption. Langmuir isotherm was used to simulate the gas desorption process. Sensitivity analysis on SGRs’ production performance with MsFHW has been conducted. Parameters influencing shale gas production were classified into two categories: reservoir parameters including matrix permeability, matrix porosity; and hydraulic fracture parameters including hydraulic fracture spacing, and fracture half-length. Typical ranges of matrix parameters have been reviewed. Sensitivity analysis have been conducted to analyze the effect of the above factors on the production performance of SGRs. Through comparison, it can be found that hydraulic fracture

  10. Effects of fracture distribution and length scale on the equivalent continuum elastic compliance of fractured rock masses

    Directory of Open Access Journals (Sweden)

    Marte Gutierrez

    2015-12-01

    Full Text Available Fracture systems have strong influence on the overall mechanical behavior of fractured rock masses due to their relatively lower stiffness and shear strength than those of the rock matrix. Understanding the effects of fracture geometrical distribution, such as length, spacing, persistence and orientation, is important for quantifying the mechanical behavior of fractured rock masses. The relation between fracture geometry and the mechanical characteristics of the fractured rock mass is complicated due to the fact that the fracture geometry and mechanical behaviors of fractured rock mass are strongly dependent on the length scale. In this paper, a comprehensive study was conducted to determine the effects of fracture distribution on the equivalent continuum elastic compliance of fractured rock masses over a wide range of fracture lengths. To account for the stochastic nature of fracture distributions, three different simulation techniques involving Oda's elastic compliance tensor, Monte Carlo simulation (MCS, and suitable probability density functions (PDFs were employed to represent the elastic compliance of fractured rock masses. To yield geologically realistic results, parameters for defining fracture distributions were obtained from different geological fields. The influence of the key fracture parameters and their relations to the overall elastic behavior of the fractured rock mass were studied and discussed. A detailed study was also carried out to investigate the validity of the use of a representative element volume (REV in the equivalent continuum representation of fractured rock masses. A criterion was also proposed to determine the appropriate REV given the fracture distribution of the rock mass.

  11. A mechanism for the production of ultrafine particles from concrete fracture.

    Science.gov (United States)

    Jabbour, Nassib; Rohan Jayaratne, E; Johnson, Graham R; Alroe, Joel; Uhde, Erik; Salthammer, Tunga; Cravigan, Luke; Faghihi, Ehsan Majd; Kumar, Prashant; Morawska, Lidia

    2017-03-01

    While the crushing of concrete gives rise to large quantities of coarse dust, it is not widely recognized that this process also emits significant quantities of ultrafine particles. These particles impact not just the environments within construction activities but those in entire urban areas. The origin of these ultrafine particles is uncertain, as existing theories do not support their production by mechanical processes. We propose a hypothesis for this observation based on the volatilisation of materials at the concrete fracture interface. The results from this study confirm that mechanical methods can produce ultrafine particles (UFP) from concrete, and that the particles are volatile. The ultrafine mode was only observed during concrete fracture, producing particle size distributions with average count median diameters of 27, 39 and 49 nm for the three tested concrete samples. Further volatility measurements found that the particles were highly volatile, showing between 60 and 95% reduction in the volume fraction remaining by 125 °C. An analysis of the volatile fraction remaining found that different volatile material is responsible for the production of particles between the samples. Copyright © 2016 Elsevier Ltd. All rights reserved.

  12. Statistics and thermodynamics of fracture

    Science.gov (United States)

    Chudnovsky, A.

    1984-01-01

    A probabilistic model of the fracture processes unifying the phenomenological study of long term strength of materials, fracture mechanics and statistical approaches to fracture is briefly outlined. The general framework of irreversible thermodynamics is employed to model the deterministic side of the failure phenomenon. The stochastic calculus is used to account for thg failure mechanisms controlled by chance; particularly, the random roughness of fracture surfaces.

  13. A model for predicting pellet-cladding interaction induced fuel rod failure, based on nonlinear fracture mechanics

    International Nuclear Information System (INIS)

    Jernkvist, L.O.

    1993-01-01

    A model for predicting pellet-cladding mechanical interaction induced fuel rod failure, suitable for implementation in finite element fuel-performance codes, is presented. Cladding failure is predicted by explicitly modelling the propagation of radial cracks under varying load conditions. Propagation is assumed to be due to either iodine induced stress corrosion cracking or ductile fracture. Nonlinear fracture mechanics concepts are utilized in modelling these two mechanisms of crack growth. The novelty of this approach is that the development of cracks, which may ultimately lead to fuel rod failure, can be treated as a dynamic and time-dependent process. The influence of cyclic loading, ramp rates and material creep on the failure mechanism can thereby be investigated. Results of numerical calculations, in which the failure model has been used to study the dependence of cladding creep rate on crack propagation velocity, are presented. (author)

  14. Atomistically-informed dislocation dynamics in FCC crystals

    International Nuclear Information System (INIS)

    Martinez, E.; Marian, J.; Arsenlis, A.; Victoria, M.; Martinez, E.; Victoria, M.; Perlado, J.M.

    2008-01-01

    Full text of publication follows. We will present a nodal dislocation dynamics (DD) model to simulate plastic processes in fcc crystals. The model explicitly accounts for all slip systems and Burgers vectors observed in fcc systems, including stacking faults and partial dislocations. We derive simple conservation rules that describe all partial dislocation interactions rigorously and allow us to model and quantify cross-slip processes, the structure and strength of dislocation junctions, and the formation of fcc-specific structures such as stacking fault tetrahedra. The DD framework is built upon isotropic non-singular linear elasticity, and supports itself on information transmitted from the atomistic scale. In this fashion, connection between the meso and micro scales is attained self-consistently with core parameters fitted to atomistic data. We perform a series of targeted simulations to demonstrate the capabilities of the model, including dislocation reactions and dissociations and dislocation junction strength. Additionally we map the four-dimensional stress space relevant for cross-slip and relate our fundings to the plastic behaviour of' monocrystalline fcc metals. (authors)

  15. Probabilistic fracture mechanics applied for lbb case study: international benchmark

    International Nuclear Information System (INIS)

    Radu, V.

    2015-01-01

    An application of probabilistic fracture mechanics to evaluate the structural integrity for a case study chosen from experimental Mock-ups of FP7 STYLE project is described. The reliability model for probabilistic structural integrity, focused on the assessment of TWC in the pipe weld under complex loading (bending moment and residual stress) has been setup. The basic model is the model of fracture for through-wall cracked pipe under elastic-plastic conditions. The corresponding structural reliability approach is developed with the probabilities of failure associated with maximum load for crack initiation, net-section collapse but also the evaluation the instability loads. The probabilities of failure for a through-wall crack in a pipe subject to pure bending are evaluated by using crude Monte Carlo simulations. The results from the international benchmark are presented for the mentioned case in the context of ageing and lifetime management of pressure boundary/pressure circuit component. (authors)

  16. Mechanical Behavior and Fracture Properties of NiAl Intermetallic Alloy with Different Copper Contents

    Directory of Open Access Journals (Sweden)

    Tao-Hsing Chen

    2016-03-01

    Full Text Available The deformation behavior and fracture characteristics of NiAl intermetallic alloy containing 5~7 at% Cu are investigated at room temperature under strain rates ranging from 1 × 10−3 to 5 × 103 s−1. It is shown that the copper contents and strain rate both have a significant effect on the mechanical behavior of the NiAl alloy. Specifically, the flow stress increases with an increasing copper content and strain rate. Moreover, the ductility also improves as the copper content increases. The change in the mechanical response and fracture behavior of the NiAl alloy given a higher copper content is thought to be the result of the precipitation of β-phase (Ni,CuAl and γ'-phase (Ni,Cu3Al in the NiAl matrix.

  17. A likely-universal model of fracture density and scaling justified by both data and theory. Consequences for crustal hydro-mechanics

    Science.gov (United States)

    Davy, P.; Darcel, C.; Le Goc, R.; Bour, O.

    2011-12-01

    We discuss the parameters that control fracture density on the Earth. We argue that most of fracture systems are spatially organized according to two main regimes. The smallest fractures can grow independently of each others, defining a "dilute" regime controlled by nuclei occurrence rate and individual fracture growth law. Above a certain length, fractures stop growing due to mechanical interactions between fractures. For this "dense" regime, we derive the fracture density distribution by acknowledging that, statistically, fractures do not cross a larger one. This very crude rule, which expresses the inhibiting role of large fractures against smaller ones but not the reverse, actually appears be a very strong control on the eventual fracture density distribution since it results in a self-similar distribution whose exponents and density term are fully determined by the fractal dimension D and a dimensionless parameter γ that encompasses the details of fracture correlations and orientations. The range of values for D and γ appears to be extremely limited, which makes this model quite universal. This theory is supported by quantitative data on either fault or joint networks. The transition between the dilute and dense regimes occurs at about a few tenths of kilometers for faults systems, and a few meters for joints. This remarkable difference between both processes is likely due to a large-scale control (localization) of the fracture growth for faulting that does not exist for jointing. Finally, we discuss the consequences of this model on both flow and mechanical properties. In the dense regime, networks appears to be very close to a critical state.

  18. Proximal femoral fractures.

    Science.gov (United States)

    Webb, Lawrence X

    2002-01-01

    Fractures of the proximal femur include fractures of the head, neck, intertrochanteric, and subtrochanteric regions. Head fractures commonly accompany dislocations. Neck fractures and intertrochanteric fractures occur with greatest frequency in elderly patients with a low bone mineral density and are produced by low-energy mechanisms. Subtrochanteric fractures occur in a predominantly strong cortical osseous region which is exposed to large compressive stresses. Implants used to address these fractures must be able to accommodate significant loads while the fractures consolidate. Complications secondary to these injuries produce significant morbidity and include infection, nonunion, malunion, decubitus ulcers, fat emboli, deep venous thrombosis, pulmonary embolus, pneumonia, myocardial infarction, stroke, and death.

  19. The use of fracture mechanics methodologies for NDT results evaluation and comparison

    International Nuclear Information System (INIS)

    Reale, S.

    1995-01-01

    In the general frame of analysing the interactions amongst the information from non destructive evaluation (NDE) and the methodologies to assess the integrity of a defective structure (such as fracture mechanics), the aim of the paper is to analyse and compare, in terms of indices related to safety margins, NDE results from round robin testing trials to acheive assessments of capabilities and limitations.A structural integrity/fracture mechanics approach for evaluating and comparing results from non destructive techniques is presented. Safety factors can be associated to flaws detected and characterized by inspections (estimated flaws) and to flaws actually present (reference flaws). The mismatch between safety factors associated to estimated flaws and safety factors associated to reference flaws can be used to assess capabilities and limitations of procedures and techniques in use for inspections.As an example, to show how the above procedure is applied and its potential as a method of data evaluation and comparison, the NDE results produced by the PISC (project for the inspection of steel components) activity have been considered. (orig.)

  20. Fracture-mechanics data deduced from thermal-shock and related experiments with LWR pressure-vessel material

    International Nuclear Information System (INIS)

    Cheverton, R.D.; Canonico, D.A.; Iskander, S.K.; Bolt, S.E.; Holz, P.P.; Nanstad, R.K.; Stelzman, W.J.

    1982-01-01

    Pressurized water reactors (PWRs) are susceptible to certain types of hypothetical accidents that can subject the reactor pressure vessel to severe thermal shock, that is, a rapid cooling of the inner surface of the vessel wall. The thermal-shock loading, coupled with the radiation-induced reduction in the material fracture toughness, introduces the possibility of propagation of preexistent flaws and what at one time were regarded as somewhat unique fracture-oriented conditions. Several postulated reactor accidents have been analyzed to discover flaw behavior trends; seven intermediate-scale thermal-shock experiments with steel cylinders have been conducted; and corresponding materials characterization studies have been performed. Flaw behavior trends and related fracture-mechanics data deduced from these studies are discussed

  1. Atomistic modeling of defect evolution in Si for amorphizing and subamorphizing implants

    International Nuclear Information System (INIS)

    Lopez, Pedro; Pelaz, Lourdes; Marques, Luis A.; Santos, Ivan; Aboy, Maria; Barbolla, Juan

    2004-01-01

    Solid phase epitaxial regrowth of pre-amorphizing implants has received significant attention as a method to achieve high dopant activation with minimal diffusion at low implant temperatures and suppress channelling. Therefore, a good understanding of the amorphization and regrowth mechanisms is required in process simulators. We present an atomistic amorphization and recrystallization model that uses the interstitial-vacancy (I-V) pair as a building block to describe the amorphous phase. I-V pairs are locally characterized by the number of neighbouring I-V pairs. This feature captures the damage generation and the dynamical annealing during ion implantation, and also explains the annealing behaviour of amorphous layers and amorphous pockets

  2. Model of mechanical representation of the formation of natural fractures inside a petroleum reservoir; Modele de representation mecanique de la formation des fractures naturelles d'un reservoir petrolier

    Energy Technology Data Exchange (ETDEWEB)

    Picard, D.

    2005-09-15

    The optimisation of the oil production requires a better characterisation of naturally fractured reservoirs. We consider and analyse two spatial distributions. One with systematic joints is arranged in an homogeneous way; joint spacing is linked to individual bedding thickness with propagation frequently interrupted by stratigraphic interfaces (single layer jointing). The second, so-called fracture swarms, consists in fractures clustering, where stratigraphic interfaces seem to play a minor role. The analysis is based on the singularity theory and matched asymptotic expansions method with a fine scale for local perturbations and a global one for general trends. We examine the conditions of fracture propagation that are determined herein using simultaneously two fracture criteria an energy and a stress condition. We consider two modes of loading. Usually, the joint (crack opening mode) and fracture swarm growths are explained by a first order phenomenon involving effective traction orthogonal to fracture plane. Although commonly used, this hypothesis seems unrealistic in many circumstances and may conflict with geological observations. Then, we try to describe fracture growth as a second order phenomena resulting from crack parallel compression. As far as propagation across layer interfaces is concerned, the effect of loading and geometry has been summarised in maps of fracture mechanisms, describing areas of 'step-over', 'straight through propagation' and 'crack arrest'. Fracture criteria, relative size of heterogeneities, contrast of mechanical properties between bed and layer are parameters of the problem. For fracture swarms, we present a discussion bringing out what is reasonable as a loading to justify their morphology. In particular, horizontal effective tension is unable to explain neighbouring joints. Simultaneous propagation of parallel near cracks is explained by finite width cracks growing under the influence of vertical

  3. Fracture Mechanisms of Zirconium Diboride Ultra-High Temperature Ceramics under Pulse Loading

    Science.gov (United States)

    Skripnyak, Vladimir V.; Bragov, Anatolii M.; Skripnyak, Vladimir A.; Lomunov, Andrei K.; Skripnyak, Evgeniya G.; Vaganova, Irina K.

    2015-06-01

    Mechanisms of failure in ultra-high temperature ceramics (UHTC) based on zirconium diboride under pulse loading were studied experimentally by the method of SHPB and theoretically using the multiscale simulation method. The obtained experimental and numerical data are evidence of the quasi-brittle fracture character of nanostructured zirconium diboride ceramics under compression and tension at high strain rates and the room temperatures. Damage of nanostructured porous zirconium diboride -based UHTC can be formed under stress pulse amplitude below the Hugoniot elastic limit. Fracture of nanostructured ultra-high temperature ceramics under pulse and shock-wave loadings is provided by fast processes of intercrystalline brittle fracture and relatively slow processes of quasi-brittle failure via growth and coalescence of microcracks. A decrease of the shear strength can be caused by nano-voids clusters in vicinity of triple junctions between ceramic matrix grains and ultrafine-grained ceramics. This research was supported by grants from ``The Tomsk State University Academic D.I. Mendeleev Fund Program'' and also N. I. Lobachevski State University of Nizhny Novgorod (Grant of post graduate mobility).

  4. Hydraulic fracture propagation modeling and data-based fracture identification

    Science.gov (United States)

    Zhou, Jing

    Successful shale gas and tight oil production is enabled by the engineering innovation of horizontal drilling and hydraulic fracturing. Hydraulically induced fractures will most likely deviate from the bi-wing planar pattern and generate complex fracture networks due to mechanical interactions and reservoir heterogeneity, both of which render the conventional fracture simulators insufficient to characterize the fractured reservoir. Moreover, in reservoirs with ultra-low permeability, the natural fractures are widely distributed, which will result in hydraulic fractures branching and merging at the interface and consequently lead to the creation of more complex fracture networks. Thus, developing a reliable hydraulic fracturing simulator, including both mechanical interaction and fluid flow, is critical in maximizing hydrocarbon recovery and optimizing fracture/well design and completion strategy in multistage horizontal wells. A novel fully coupled reservoir flow and geomechanics model based on the dual-lattice system is developed to simulate multiple nonplanar fractures' propagation in both homogeneous and heterogeneous reservoirs with or without pre-existing natural fractures. Initiation, growth, and coalescence of the microcracks will lead to the generation of macroscopic fractures, which is explicitly mimicked by failure and removal of bonds between particles from the discrete element network. This physics-based modeling approach leads to realistic fracture patterns without using the empirical rock failure and fracture propagation criteria required in conventional continuum methods. Based on this model, a sensitivity study is performed to investigate the effects of perforation spacing, in-situ stress anisotropy, rock properties (Young's modulus, Poisson's ratio, and compressive strength), fluid properties, and natural fracture properties on hydraulic fracture propagation. In addition, since reservoirs are buried thousands of feet below the surface, the

  5. Definition and detection of contact in atomistic simulations

    NARCIS (Netherlands)

    Solhjoo, Soheil; Vakis, Antonis I.

    In atomistic simulations, contact depends on the accurate detection of contacting atoms as well as their contact area. While it is common to define contact between atoms based on the so-called ‘contact distance’ where the interatomic potential energy reaches its minimum, this discounts, for example,

  6. Definition and detection of contact in atomistic simulations

    NARCIS (Netherlands)

    Solhjoo, Soheil; Vakis, Antonis I.

    2015-01-01

    In atomistic simulations, contact depends on the accurate detection of contacting atoms as well as their contact area. While it is common to define contact between atoms based on the so-called ‘contact distance’ where the interatomic potential energy reaches its minimum, this discounts, for example,

  7. Analysis of interlaminar fracture toughness and damage mechanisms in composite laminates reinforced with sprayed multi-walled carbon nanotubes

    KAUST Repository

    Almuhammadi, Khaled; Alfano, Marco; Yang, Yang; Lubineau, Gilles

    2014-01-01

    The present work is focused on the nanoreinforcement of prepreg based carbon fiber composite laminates to improve delamination resistance. Functionalized multi-walled carbon nanotubes (MWCNTs) were dispersed over the interface between prepreg layers through solvent spraying and the resulting mode I interlaminar fracture toughness was determined. For comparison, baseline samples with neat prepregs were also prepared. Results indicate that the introduction of functionalized MWCNTs can favorably affect the interlaminar fracture toughness, and the associated mechanisms of failure have been investigated. The manufacturing procedures and the interfacial reinforcing mechanism were explored by analyzing (i) the wettability between CNTs-solvent solution and prepreg surface, (ii) CNTs dispersion and (iii) the fractured surfaces through high resolution scanning electron microscopy and Raman mapping. © 2013 Elsevier Ltd.

  8. Coupled processes in single fractures, double fractures and fractured porous media

    International Nuclear Information System (INIS)

    Tsang, C.F.

    1986-12-01

    The emplacement of a nuclear waste repository in a fractured porous medium provides a heat source of large dimensions over an extended period of time. It also creates a large cavity in the rock mass, changing significantly the stress field. Such major changes induce various coupled thermohydraulic, hydromechanic and hydrochemical transport processes in the environment around a nuclear waste repository. The present paper gives, first, a general overview of the coupled processes involving thermal, mechanical, hydrological and chemical effects. Then investigations of a number of specific coupled processes are described in the context of fluid flow and transport in a single fracture, two intersecting fractures and a fractured porous medium near a nuclear waste repository. The results are presented and discussed

  9. Correction of fatigue parameters of concrete using approximation of mechanical-Fracture parameters in time

    Czech Academy of Sciences Publication Activity Database

    Šimonová, H.; Keršner, Z.; Seitl, Stanislav; Pryl, D.; Pukl, R.

    -, č. 1 (2012), s. 57-59 ISSN 1213-3116 R&D Projects: GA ČR(CZ) GAP104/11/0833 Institutional support: RVO:68081723 Keywords : fatigue * concrete * correction * fracture parameters Subject RIV: JL - Materials Fatigue, Friction Mechanics

  10. Conclusions regarding fracture mechanics testing and evaluation of small specimens - As evidenced by the finnish contribution to the IAEA CRP3 programme

    Energy Technology Data Exchange (ETDEWEB)

    Wallin, K; Valo, M; Rintamaa, R; Torronen, K [Technical Research Centre of Finland, Espoo (Finland); Ahlstrand, R [Imatran Voima Oy (IVO), Helsinki (Finland)

    1994-12-31

    An extensive mechanical property evaluation has been carried out on various specimens (a Japanese steel plate (JRQ), a French forging material (FFA) and a Japanese forging material (JFL)) in the as-received and irradiated conditions. The mechanical properties measured at different temperatures include Charpy-V notch and instrumented pre-cracked Charpy data and static and dynamic elastic-plastic fracture toughness based on the J-integral, with various specimen size and geometry. Test analysis lead to conclusions regarding the use of small specimen fracture mechanical tests for investigating irradiation effects: CVN{sub pc} and RCT type specimens are suitable for determining the materials fracture toughness even in the ductile/brittle transition region provided the elastic-plastic parameter K{sub JC} is applied together with a statistical size correction. These two specimen types yield equivalent results for the fracture toughness transition shift. Charpy-V appears not to be suitable for estimating the static fracture toughness transition shift. 8 refs., 11 figs.

  11. Acoustic emission from zirconium alloys during mechanical and fracture testing

    International Nuclear Information System (INIS)

    Coleman, C.E.

    1986-10-01

    The application of acoustic emission during the mechanical and fracture testing of zirconium alloys is reviewed. Acoustic emission is successful in following delayed hydride cracking quantitatively. It is especially useful when great sensitivity is required. Application to fatigue, tensile deformation and stress corrosion cracking appears promising but requires more work to separate phenomena before it can be used quantitatively. This report is based on an invited review for the American Society of Non-Destructive Testing Handbook: Volume 5, Acoustic Emission Testing

  12. Atomistic simulations in Si processing: Bridging the gap between atoms and experiments

    International Nuclear Information System (INIS)

    Marques, Luis A.; Pelaz, Lourdes; Lopez, Pedro; Aboy, Maria; Santos, Ivan; Barbolla, Juan

    2005-01-01

    With devices shrinking to nanometric scale, process simulation tools have to shift from continuum models to an atomistic description of the material. However, the limited sizes and time scales accessible for detailed atomistic techniques usually lead to the difficult task of relating the information obtained from simulations to experimental data. The solution consists of the use of a hierarchical simulation scheme: more fundamental techniques are employed to extract parameters and models that are then feed into less detailed simulators which allow direct comparison with experiments. This scheme will be illustrated with the modeling of the amorphization and recrystallization of Si, which has been defined as a key challenge in the last edition of the International Technology Roadmap for Semiconductors. The model is based on the bond defect or IV pair, which is used as the building block of the amorphous phase. The properties of this defect have been studied using ab initio methods and classical molecular dynamics techniques. It is shown that the recombination of this defect depends on the surrounding bond defects, which accounts for the cooperative nature of the amorphization and recrystallization processes. The implementation of this model in a kinetic Monte Carlo code allows extracting data directly comparable with experiments. This approach provides physical insight on the amorphization and recrystallization mechanisms and a tool for the optimization of solid-phase epitaxial-related processes

  13. Elastic-plastic Fracture Mechanics Assessment of nozzle corners submitted to thermal shock loading

    International Nuclear Information System (INIS)

    Chapuliot, S.; Marie, S.

    2016-01-01

    This paper focuses on the development of a simplified analytical scheme for the elastic-plastic Fracture Mechanics Assessment of large nozzle corners. Within that frame, following the specific numerical effort performed for the definition of a Stress Intensity Factor compendium, complementary elastic-plastic developments are proposed here for the consideration of the thermal shock loading in the elastic-plastic domain: this type of loading is a major loading for massive structures such as nozzle corners of large components. Thus, an important numerical was performed in order to extend the applicability domain of existing analytical schemes to those complex geometries. The final formulation is a simple one, applicable to a large variety of materials and geometrical configurations as long as the structure is large and the defect remains small in comparison to the internal radius of the nozzle. - Highlights: • Fracture Mechanics Assessment of large nozzle corners. • Elastic-plastic Stress Intensity Factor determination under thermal shock loading. • Semi-analytical schemes for J calculation.

  14. 2010 Thin Film & Small Scale Mechanical Behavior Gordon Research Conference

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Thomas Balk

    2010-07-30

    Over the past decades, it has been well established that the mechanical behavior of materials changes when they are confined geometrically at least in one dimension to small scale. It is the aim of the 2010 Gordon Conference on 'Thin Film and Small Scale Mechanical Behavior' to discuss cutting-edge research on elastic, plastic and time-dependent deformation as well as degradation mechanisms like fracture, fatigue and wear at small scales. As in the past, the conference will benefit from contributions from fundamental studies of physical mechanisms linked to material science and engineering reaching towards application in modern applications ranging from optical and microelectronic devices and nano- or micro-electrical mechanical systems to devices for energy production and storage. The conference will feature entirely new testing methodologies and in situ measurements as well as recent progress in atomistic and micromechanical modeling. Particularly, emerging topics in the area of energy conversion and storage, such as material for batteries will be highlighted. The study of small-scale mechanical phenomena in systems related to energy production, conversion or storage offer an enticing opportunity to materials scientists, who can provide new insight and investigate these phenomena with methods that have not previously been exploited.

  15. Kinetics and fracture resistance of lithiated silicon nanostructure pairs controlled by their mechanical interaction

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Seok Woo; /Stanford U., Geballe Lab.; Lee, Hyun-Wook; /Stanford U., Materials Sci. Dept.; Ryu, Ill; /Brown U.; Nix, William D.; /Stanford U., Materials Sci. Dept.; Gao, Huajian; /Brown U.; Cui, Yi; /Stanford U., Materials Sci. Dept. /SLAC

    2015-06-01

    Following an explosion of studies of silicon as a negative electrode for Li-ion batteries, the anomalous volumetric changes and fracture of lithiated single Si particles have attracted significant attention in various fields, including mechanics. However, in real batteries, lithiation occurs simultaneously in clusters of Si in a confined medium. Hence, understanding how the individual Si structures interact during lithiation in a closed space is necessary. Herein, we demonstrate physical/mechanical interactions of swelling Si structures during lithiation using well-defined Si nanopillar pairs. Ex situ SEM and in situ TEM studies reveal that compressive stresses change the reaction kinetics so that preferential lithiation occurs at free surfaces when the pillars are mechanically clamped. Such mechanical interactions enhance the fracture resistance of This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under Contract No. DE-AC02-76SF00515. SLAC-PUB-16300 2 lithiated Si by lessening the tensile stress concentrations in Si structures. This study will contribute to improved design of Si structures at the electrode level for high performance Li-ion batteries.

  16. Ionic diffusion in quartz studied by transport measurements, SIMS and atomistic simulations

    International Nuclear Information System (INIS)

    Sartbaeva, Asel; Wells, Stephen A; Redfern, Simon A T; Hinton, Richard W; Reed, Stephen J B

    2005-01-01

    Ionic diffusion in the quartz-β-eucryptite system is studied by DC transport measurements, SIMS and atomistic simulations. Transport data show a large transient increase in ionic current at the α-β phase transition of quartz (the Hedvall effect). The SIMS data indicate two diffusion processes, one involving rapid Li + motion and the other involving penetration of Al and Li atoms into quartz at the phase transition. Atomistic simulations explain why the fine microstructure of twin domain walls in quartz near the transition does not hinder Li + diffusion

  17. Numerical modelling in non linear fracture mechanics

    Directory of Open Access Journals (Sweden)

    Viggo Tvergaard

    2007-07-01

    Full Text Available Some numerical studies of crack propagation are based on using constitutive models that accountfor damage evolution in the material. When a critical damage value has been reached in a materialpoint, it is natural to assume that this point has no more carrying capacity, as is done numerically in the elementvanish technique. In the present review this procedure is illustrated for micromechanically based materialmodels, such as a ductile failure model that accounts for the nucleation and growth of voids to coalescence, and a model for intergranular creep failure with diffusive growth of grain boundary cavities leading to micro-crack formation. The procedure is also illustrated for low cycle fatigue, based on continuum damage mechanics. In addition, the possibility of crack growth predictions for elastic-plastic solids using cohesive zone models to represent the fracture process is discussed.

  18. The Pellini test as a brittle fracture criterion for components and for the determination of the application limits of fracture mechanics

    International Nuclear Information System (INIS)

    Schulze, H.D.

    1976-01-01

    Linear-elastic fracture mechanics have made it possible to make the brittle behaviour of cracks in components accessible for a description. The concepts envisaging an extension to yield point mechanics as well, which would allow the behaviour of cracks with large plastic deformations at the tip of the crack to be described, are at present not perfected enough yet to be applied in practice. The Pellini concept with its semi-quantitative statements closes at present this gap. (orig./RW) [de

  19. Atomistic Monte Carlo simulation of lipid membranes

    DEFF Research Database (Denmark)

    Wüstner, Daniel; Sklenar, Heinz

    2014-01-01

    Biological membranes are complex assemblies of many different molecules of which analysis demands a variety of experimental and computational approaches. In this article, we explain challenges and advantages of atomistic Monte Carlo (MC) simulation of lipid membranes. We provide an introduction...... of local-move MC methods in combination with molecular dynamics simulations, for example, for studying multi-component lipid membranes containing cholesterol....

  20. Evaluation of Alternative Atomistic Models for the Incipient Growth of ZnO by Atomic Layer Deposition

    Energy Technology Data Exchange (ETDEWEB)

    Chu, Manh-Hung; Tian, Liang; Chaker, Ahmad; Skopin, Evgenii; Cantelli, Valentina; Ouled, Toufik; Boichot, Raphaël; Crisci, Alexandre; Lay, Sabine; Richard, Marie-Ingrid; Thomas, Olivier; Deschanvres, Jean-Luc; Renevier, Hubert; Fong, Dillon; Ciatto, Gianluca

    2017-03-20

    ZnO thin films are interesting for applications in several technological fields, including optoelectronics and renewable energies. Nanodevice applications require controlled synthesis of ZnO structures at nanometer scale, which can be achieved via atomic layer deposition (ALD). However, the mechanisms governing the initial stages of ALD had not been addressed until very recently. Investigations into the initial nucleation and growth as well as the atomic structure of the heterointerface are crucial to optimize the ALD process and understand the structure-property relationships for ZnO. We have used a complementary suite of in situ synchrotron x-ray techniques to investigate both the structural and chemical evolution during ZnO growth by ALD on two different substrates, i.e., SiO2 and Al2O3, which led us to formulate an atomistic model of the incipient growth of ZnO. The model relies on the formation of nanoscale islands of different size and aspect ratio and consequent disorder induced in the Zn neighbors' distribution. However, endorsement of our model requires testing and discussion of possible alternative models which could account for the experimental results. In this work, we review, test, and rule out several alternative models; the results confirm our view of the atomistic mechanisms at play, which influence the overall microstructure and resulting properties of the final thin film.

  1. Structural and functional analysis of glycoprotein butyrylcholinesterase using atomistic molecular dynamics

    Science.gov (United States)

    Bernardi, Austen; Faller, Roland

    Atomistic molecular dynamics (MD) has proven to be a powerful tool for studying the structure and dynamics of biological systems on nanosecond to microsecond time scales and nanometer length scales. In this work we study the effects of modifying the glycan distribution on the structure and function of full length monomeric butyrylcholinesterase (BChE). BChE exists as a monomer, dimer, or tetramer, and is a therapeutic glycoprotein with nine asparagine glycosylation sites per monomer. Each monomer acts as a stoichiometric scavenger for organophosphorus (OP) nerve agents (e.g. sarin, soman). Glycan distributions are highly heterogeneous and have been shown experimentally to affect certain glycoproteins' stability and reactivity. We performed structural analysis of various biologically relevant glycoforms of BChE using classical atomistic MD. Functional analysis was performed through binding energy simulations using umbrella sampling with BChE and OP cofactors. Additionally, we assess the quality of the glycans' conformational sampling. We found that the glycan distribution has a significant effect on the structure and function of BChE on timescales available to atomistic MD. This project is funded by the DTRA Grant HDTRA1-15-1-0054.

  2. Atomistic Simulations of Small-scale Materials Tests of Nuclear Materials

    International Nuclear Information System (INIS)

    Shin, Chan Sun; Jin, Hyung Ha; Kwon, Jun Hyun

    2012-01-01

    Degradation of materials properties under neutron irradiation is one of the key issues affecting the lifetime of nuclear reactors. Evaluating the property changes of materials due to irradiations and understanding the role of microstructural changes on mechanical properties are required for ensuring reliable and safe operation of a nuclear reactor. However, high dose of neuron irradiation capabilities are rather limited and it is difficult to discriminate various factors affecting the property changes of materials. Ion beam irradiation can be used to investigate radiation damage to materials in a controlled way, but has the main limitation of small penetration depth in the length scale of micro meters. Over the past decade, the interest in the investigations of size-dependent mechanical properties has promoted the development of various small-scale materials tests, e.g. nanoindentation and micro/nano-pillar compression tests. Small-scale materials tests can address the issue of the limitation of small penetration depth of ion irradiation. In this paper, we present small-scale materials tests (experiments and simulation) which are applied to study the size and irradiation effects on mechanical properties. We have performed molecular dynamics simulations of nanoindentation and nanopillar compression tests. These atomistic simulations are expected to significantly contribute to the investigation of the fundamental deformation mechanism of small scale irradiated materials

  3. Computational implementation of the multi-mechanism deformation coupled fracture model for salt

    International Nuclear Information System (INIS)

    Koteras, J.R.; Munson, D.E.

    1996-01-01

    The Multi-Mechanism Deformation (M-D) model for creep in rock salt has been used in three-dimensional computations for the Waste Isolation Pilot Plant (WIPP), a potential waste, repository. These computational studies are relied upon to make key predictions about long-term behavior of the repository. Recently, the M-D model was extended to include creep-induced damage. The extended model, the Multi-Mechanism Deformation Coupled Fracture (MDCF) model, is considerably more complicated than the M-D model and required a different technology from that of the M-D model for a computational implementation

  4. Seismic characterization of fracture properties

    International Nuclear Information System (INIS)

    Myer, L.R.; Hopkins, D.; Cook, N.G.W.; Pyrak-Nolte, L.J.

    1990-01-01

    The purpose of this paper is to show that there is a relationship, both empirical and theoretical, between the measured seismic response, the mechanical stiffness (also referred to as specific stiffness) of fractures and their hydraulic conductivity. Laboratory measurements of the mechanical stiffness, hydraulic conductivity and seismic properties of natural fractures are summarized. A theoretical model for the amplitude and group time delay for compressional and shear waves transmitted across a single fracture is presented. Predictions based on this model are compared with laboratory measurements. Finally, the results for a single fracture are extended to multiple parallel fractures. 13 refs., 6 figs

  5. Ontology of fractures

    Science.gov (United States)

    Zhong, Jian; Aydina, Atilla; McGuinness, Deborah L.

    2009-03-01

    Fractures are fundamental structures in the Earth's crust and they can impact many societal and industrial activities including oil and gas exploration and production, aquifer management, CO 2 sequestration, waste isolation, the stabilization of engineering structures, and assessing natural hazards (earthquakes, volcanoes, and landslides). Therefore, an ontology which organizes the concepts of fractures could help facilitate a sound education within, and communication among, the highly diverse professional and academic community interested in the problems cited above. We developed a process-based ontology that makes explicit specifications about fractures, their properties, and the deformation mechanisms which lead to their formation and evolution. Our ontology emphasizes the relationships among concepts such as the factors that influence the mechanism(s) responsible for the formation and evolution of specific fracture types. Our ontology is a valuable resource with a potential to applications in a number of fields utilizing recent advances in Information Technology, specifically for digital data and information in computers, grids, and Web services.

  6. Consideration on the Mechanism of Microwave Emission Due to Rock Fracture

    Science.gov (United States)

    Takano, Tadashi; Sugita, Seiji; Yoshida, Shingo; Maeda, Takashi

    2010-05-01

    Microwave emission due to rock fracture was found at 300 MHz, 2 GHz, and 22 GHz, and its power was calibrated in laboratory for the first time in the world. The observed waveform is impulsive, and contains correspondent frequency component inside the envelope at each frequency band. At such high frequencies, the electro-magnetic signal power can be calibrated as a radiating wave with high accuracy. Accordingly, it was verified that a substantial power is emitted. The microwave emission phenomena were also observed on occasions of hypervelocity impact, and esteemed as phenomena generally associated with material destruction. Earthquakes and volcanic activities are association with rock fractures so that the microwave is expected to be emitted. Actually, the e emission was confirmed by the data analysis of the brightness temperature obtained by a remote sensing satellite, which flew over great earthquakes of Wuenchan and Sumatra, and great volcanic eruptions of Reventador and Chanten. It is important to show the microwave emission during rock fracture in natural phenomena. Therefore, the field test to detect the microwave due to the collapse of a crater cliff was planned and persecuted at the volcano of Miyake-jima about 100 km south of Tokyo. Volcanic activity may be more convenient than an earthquake because of the known location and time. As a result, they observed the microwave emission which was strongly correlated with the cliff collapses. Despite of the above-mentioned phenomenological fruits, the reason of the microwave emission is not fixed yet. We have investigated the mechanism of the emission in consideration of the obtained data in rock fracture experiments so far and the study results on material destruction by hypervelocity impact. This paper presents the proposal of the hypothesis and resultant discussions. The microwave sensors may be useful to monitor natural hazards such as an earthquake or a volcanic eruption, because the microwave due to rock

  7. Multiresolution molecular mechanics: Implementation and efficiency

    Energy Technology Data Exchange (ETDEWEB)

    Biyikli, Emre; To, Albert C., E-mail: albertto@pitt.edu

    2017-01-01

    Atomistic/continuum coupling methods combine accurate atomistic methods and efficient continuum methods to simulate the behavior of highly ordered crystalline systems. Coupled methods utilize the advantages of both approaches to simulate systems at a lower computational cost, while retaining the accuracy associated with atomistic methods. Many concurrent atomistic/continuum coupling methods have been proposed in the past; however, their true computational efficiency has not been demonstrated. The present work presents an efficient implementation of a concurrent coupling method called the Multiresolution Molecular Mechanics (MMM) for serial, parallel, and adaptive analysis. First, we present the features of the software implemented along with the associated technologies. The scalability of the software implementation is demonstrated, and the competing effects of multiscale modeling and parallelization are discussed. Then, the algorithms contributing to the efficiency of the software are presented. These include algorithms for eliminating latent ghost atoms from calculations and measurement-based dynamic balancing of parallel workload. The efficiency improvements made by these algorithms are demonstrated by benchmark tests. The efficiency of the software is found to be on par with LAMMPS, a state-of-the-art Molecular Dynamics (MD) simulation code, when performing full atomistic simulations. Speed-up of the MMM method is shown to be directly proportional to the reduction of the number of the atoms visited in force computation. Finally, an adaptive MMM analysis on a nanoindentation problem, containing over a million atoms, is performed, yielding an improvement of 6.3–8.5 times in efficiency, over the full atomistic MD method. For the first time, the efficiency of a concurrent atomistic/continuum coupling method is comprehensively investigated and demonstrated.

  8. Simulation of complex fracture networks influenced by natural fractures in shale gas reservoir

    Directory of Open Access Journals (Sweden)

    Zhao Jinzhou

    2014-10-01

    Full Text Available When hydraulic fractures intersect with natural fractures, the geometry and complexity of a fracture network are determined by the initiation and propagation pattern which is affected by a number of factors. Based on the fracture mechanics, the criterion for initiation and propagation of a fracture was introduced to analyze the tendency of a propagating angle and factors affecting propagating pressure. On this basis, a mathematic model with a complex fracture network was established to investigate how the fracture network form changes with different parameters, including rock mechanics, in-situ stress distribution, fracture properties, and frac treatment parameters. The solving process of this model was accelerated by classifying the calculation nodes on the extending direction of the fracture by equal pressure gradients, and solving the geometrical parameters prior to the iteration fitting flow distribution. With the initiation and propagation criterion as the bases for the propagation of branch fractures, this method decreased the iteration times through eliminating the fitting of the fracture length in conventional 3D fracture simulation. The simulation results indicated that the formation with abundant natural fractures and smaller in-situ stress difference is sufficient conditions for fracture network development. If the pressure in the hydraulic fractures can be kept at a high level by temporary sealing or diversion, the branch fractures will propagate further with minor curvature radius, thus enlarging the reservoir stimulation area. The simulated shape of fracture network can be well matched with the field microseismic mapping in data point range and distribution density, validating the accuracy of this model.

  9. Cleavage and creep fracture of rock salt

    International Nuclear Information System (INIS)

    Chan, K.S.; Munson, D.E.; Bodner, S.R.

    1996-01-01

    The dominant failure mechanism in rock salt at ambient temperature is either cleavage or creep fracture. Since the transition of creep fracture to cleavage in a compressive stress field is not well understood, failure of rock salt by cleavage and creep fracture is analyzed in this paper to elucidate the effect of stress state on the competition between these two fracture mechanisms. For cleavage fracture, a shear crack is assumed to cause the formation and growth of a symmetric pair of wing cracks in a predominantly compressive stress field. The conditions for wing-crack instability are derived and presented as the cleavage fracture boundary in the fracture mechanism map. Using an existing creep fracture model, stress conditions for the onset of creep fracture and isochronous failure curves of specified times-to-rupture are calculated and incorporated into the fracture mechanism map. The regimes of dominance by cleavage and creep fracture are established and compared with experimental data. The result indicates that unstable propagation of cleavage cracks occurs only in the presence of tensile stress. The onset of creep fracture is promoted by a tensile stress, but can be totally suppressed by a high confining pressure. Transition of creep fracture to cleavage occurs when critical conditions of stress difference and tensile stress for crack instability are exceeded

  10. Natural sciences in the focus IV. Foundations of atomistics, quantum mechanics, and chemistry; Naturwissenschaften im Fokus IV. Grundlagen der Atomistik, Quantenmechanik und Chemie

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, Christian

    2017-07-01

    The following topics are dealt with: The electronic structure of the atom, the structure of the atomic nucleus together with radioactive decays, fission, and fusion, the elementary particles together with the standard model, the atomistic foundations of chemistrytogether with the binding types, and inorganic and organic chemistry. (HSI)

  11. Trochanteric fractures. Classification and mechanical stability in McLaughlin, Ender and Richard osteosynthesis

    Energy Technology Data Exchange (ETDEWEB)

    Herrlin, K.; Stroemberg, T.; Lidgren, L.; Walloee, A.; Pettersson, H.

    Four hundred and thirty trochanteric factures operated upon with McLaughlin, Ender or Richard's osteosynthesis were divided into 6 different types based on their radiographic appearance before and immediately after reposition with special reference to the medial cortical support. A significant correlation was found between the fracture type and subsequent mechanical complications where types 1 and 2 gave less, and types 4 and 5 more complications. A comparison of the various osteosyntheses showed that Richard's had significantly fewer complications than either the Ender or McLaughlin types. For Richard's osteosynthesis alone no correlation to fracture type could be made because of the small number of complications in this group.

  12. Development of an evaluation method for fracture mechanical tests on small samples based on a cohesive zone model

    International Nuclear Information System (INIS)

    Mahler, Michael

    2016-01-01

    The safety and reliability of nuclear power plants of the fourth generation is an important issue. It is based on a reliable interpretation of the components for which, among other fracture mechanical material properties are required. The existing irradiation in the power plants significantly affects the material properties which therefore need to be determined on irradiated material. Often only small amounts of irradiated material are available for characterization. In that case it is not possible to manufacture sufficiently large specimens, which are necessary for fracture mechanical testing in agreement with the standard. Small specimens must be used. From this follows the idea of this study, in which the fracture toughness can be predicted with the developed method based on tests of small specimens. For this purpose, the fracture process including the crack growth is described with a continuum mechanical approach using the finite element method and the cohesive zone model. The experiments on small specimens are used for parameter identification of the cohesive zone model. The two parameters of the cohesive zone model are determined by tensile tests on notched specimens (cohesive stress) and by parameter fitting to the fracture behavior of smalls specimens (cohesive energy). To account the different triaxialities of the specimens, the cohesive stress is used depending on the triaxiality. After parameter identification a large specimen can be simulated with the cohesive zone parameters derived from small specimens. The predicted fracture toughness of this big specimen fulfills the size requirements in the standard (ASTM E1820 or ASTM E399) in contrast to the small specimen. This method can be used for ductile and brittle material behavior and was validated in this work. In summary, this method offers the possibility to determine the fracture toughness indirectly based on small specimen testing. Main advantage is the low required specimen volume. Thereby massively

  13. Computer code for the atomistic simulation of lattice defects and dynamics

    International Nuclear Information System (INIS)

    Schiffgens, J.O.; Graves, N.J.; Oster, C.A.

    1980-04-01

    This document has been prepared to satisfy the need for a detailed, up-to-date description of a computer code that can be used to simulate phenomena on an atomistic level. COMENT was written in FORTRAN IV and COMPASS (CDC assembly language) to solve the classical equations of motion for a large number of atoms interacting according to a given force law, and to perform the desired ancillary analysis of the resulting data. COMENT is a dual-purpose intended to describe static defect configurations as well as the detailed motion of atoms in a crystal lattice. It can be used to simulate the effect of temperature, impurities, and pre-existing defects on radiation-induced defect production mechanisms, defect migration, and defect stability

  14. Spartan Release Engagement Mechanism (REM) stress and fracture analysis

    Science.gov (United States)

    Marlowe, D. S.; West, E. J.

    1984-01-01

    The revised stress and fracture analysis of the Spartan REM hardware for current load conditions and mass properties is presented. The stress analysis was performed using a NASTRAN math model of the Spartan REM adapter, base, and payload. Appendix A contains the material properties, loads, and stress analysis of the hardware. The computer output and model description are in Appendix B. Factors of safety used in the stress analysis were 1.4 on tested items and 2.0 on all other items. Fracture analysis of the items considered fracture critical was accomplished using the MSFC Crack Growth Analysis code. Loads and stresses were obtaind from the stress analysis. The fracture analysis notes are located in Appendix A and the computer output in Appendix B. All items analyzed met design and fracture criteria.

  15. Atomistic modeling of ion beam induced amorphization in silicon

    International Nuclear Information System (INIS)

    Pelaz, Lourdes; Marques, Luis A.; Lopez, Pedro; Santos, Ivan; Aboy, Maria; Barbolla, Juan

    2005-01-01

    Ion beam induced amorphization in Si has attracted significant interest since the beginning of the use of ion implantation for the fabrication of Si devices. Nowadays, a renewed interest in the modeling of amorphization mechanisms at atomic level has arisen due to the use of preamorphizing implants and high dopant implantation doses for the fabrication of nanometric-scale Si devices. In this work, we briefly describe the existing phenomenological and defect-based amorphization models. We focus on the atomistic model we have developed to describe ion beam induced amorphization in Si. In our model, the building block for the amorphous phase is the bond defect or IV pair, whose stability increases with the number of surrounding IV pairs. This feature explains the regrowth behavior of different damage topologies and the kinetics of the crystalline to amorphous transition. The model provides excellent quantitative agreement with experimental results

  16. Fracture mechanics and statistical modeling of ternary blends of polylactide/ethylene-acrylate copolymer /wood-flour composites

    Science.gov (United States)

    Afrifah, Kojo Agyapong

    This study examined the mechanisms of toughening the brittle bio-based poly(lactic acid) (PLA) with a biodegradable rubbery impact modifier to develop biodegradable and cost effective PLA/wood-flour composites with improved impact strength, toughness, high ductility, and flexibility. Semicrystalline and amorphous PLA grades were impact modified by melt blending with an ethylene-acrylate copolymer (EAC) impact modifier. EAC content was varied to study the effectiveness and efficiency of the impact modifier in toughening the semicrystalline and amorphous grades of the PLA. Impact strength was used to assess the effectiveness and efficiency of the EAC in toughening the blends, whereas the toughening mechanisms were determined with the phase morphologies and the miscibilities of the blends. Subsequent tensile property analyses were performed on the most efficiently toughened PLA grade. Composites were made from PLA, wood flour of various particle sizes, and EAC. Using two-level factorial design the interaction between wood flour content, wood flour particle size, and EAC content and its effect on the mechanical properties of the PLA/wood-flour composites was statistically studied. Numerical optimization was also performed to statistically model and optimize material compositions to attain mechanical properties for the PLA/wood-flour composites equivalent to at least those of unfilled PLA. The J-integral method of fracture mechanics was applied to assess the crack initiation (Jin) and complete fracture (J f) energies of the composites to account for imperfections in the composites and generate data useful for engineering designs. Morphologies of the fractured surfaces of the composites were analyzed to elucidate the failure and toughening mechanisms of the composites. The EAC impact modifier effectively improved the impact strength of the PLA/EAC blends, regardless of the PLA type. However, the EAC was more efficient in the semicrystalline grades of PLA compared to the

  17. A study on probabilistic fracture mechanics for nuclear pressure vessels and piping

    International Nuclear Information System (INIS)

    Yagawa, Genki; Yoshimura, Shinobu

    1997-01-01

    This paper describes some recent research activities on probabilistic fracture mechanics (PFM) for nuclear pressure vessels and piping (PV and P) performed by the RC111 research committee of the Japan Society of Mechanical Engineers (JSME) under a subcontract of the Japan Atomic Energy Research Institute (JAERI). To establish standard procedures for evaluating failure probabilities of nuclear PV and P, we have set up the following three kinds of PFM round-robin problems on: (a) primary piping under normal operating conditions, (b) aged reactor pressure vessel (RPV) under normal and upset operating conditions, and (c) aged RPV under pressurised thermal shock (PTS) events. The basic problems of the last one are chosen from some US benchmark problems such as EPRI (Electric Power Research Institute) and US NRC (Nuclear Regulatory Commission) joint PTS benchmark problems. This paper summarizes some sensitivity studies on the three kinds of problems mainly varying material properties such as flow stress, fracture toughness, fatigue crack growth rate, Cu content. Employed in this study are the PFM computer codes developed in Japan and USA. Failure probabilities of nuclear PV and P are quantitatively discussed in detail. (author)

  18. (Environmental and geophysical modeling, fracture mechanics, and boundary element methods)

    Energy Technology Data Exchange (ETDEWEB)

    Gray, L.J.

    1990-11-09

    Technical discussions at the various sites visited centered on application of boundary integral methods for environmental modeling, seismic analysis, and computational fracture mechanics in composite and smart'' materials. The traveler also attended the International Association for Boundary Element Methods Conference at Rome, Italy. While many aspects of boundary element theory and applications were discussed in the papers, the dominant topic was the analysis and application of hypersingular equations. This has been the focus of recent work by the author, and thus the conference was highly relevant to research at ORNL.

  19. Evaluation of fracture toughness and mechanical properties of ternary thiol-ene-methacrylate systems as resin matrix for dental restorative composites.

    Science.gov (United States)

    Beigi, Saeed; Yeganeh, Hamid; Atai, Mohammad

    2013-07-01

    Study and evaluation of fracture toughness, flexural and dynamic mechanical properties, and crosslink density of ternary thiol-ene-methacrylate systems and comparison with corresponding conventional methacrylate system were considered in the present study. Urethane tetra allyl ether monomer (UTAE) was synthesized as ene monomer. Different formulations were prepared based on combination of UTAE, BisGMA/TEGDMA and a tetrathiol monomer (PETMP). The photocuring reaction was conducted under visible light using BD/CQ combination as photoinitiator system. Mechanical properties were evaluated via measuring flexural strength, flexural modulus and fracture toughness. Scanning electron microscopy (SEM) was utilized to study the morphology of the fractured specimen's cross section. Viscoelastic properties of the samples were also determined by dynamic mechanical thermal analysis (DMTA). The same study was performed on a conventional methacrylate system. The data were analyzed and compared by ANOVA and Tukey HSD tests (significance level=0.05). The results showed improvement in fracture toughness of the specimens containing thiol-ene moieties. DMTA revealed a lower glass transition temperature and more homogenous structure for thiol-ene containing specimens in comparison to the system containing merely methacrylate monomer. The flexural modulus and flexural strength of the specimens with higher thiol-ene content were lower than the neat methacrylate system. The SEM micrographs of the fractured surface of specimens with higher methacrylate content were smooth and mirror-like (shiny) which represent brittle fracture. The thiol-ene-methacrylate system can be used as resin matrix of dental composites with enhanced fracture toughness in comparison to the methacrylate analogous. Copyright © 2013 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  20. The feasibility of prefatigued sub size specimens to fracture mechanical studies in inert and in reactor environments

    International Nuclear Information System (INIS)

    Toivonen, A.; Moilanen, P.; Taehtinen, S.; Aaltonen, P.; Wallin, K.

    1998-01-01

    The feasibility of sub size specimens to fracture mechanical tests in inert and in reactor environment is studied in this paper. The need for using sub size specimens has arised from the need to study highly irradiated materials as well as to study localised stress corrosion cracking, i.e. stress corrosion cracking in very narrow heat affected zones for example in welded thin walled pipes. This paper focuses on the effects of high J-integral values on ductile tearing and on environmentally assisted crack growth rate. The main focus is on the stress corrosion tests. The subject is approached first by theoretical discussion. The experimental study consists of J-R tests in air and of slow J-R tests in simulated boiling water reactor (BWR) environment. In most cases the tests were continued until the J-integral level was significantly above the maximum allowable J values for ductile fracture toughness characterisation prescribed in test standards. The results indicate that the measurement capacity of the specimens depends on the specimen dimensions in J-R tests in air, as could be expected. The measurement capacity limitations are not necessarily important in stress corrosion testing as the environmentally assisted crack growth rate can be measured even without exceeding the J-integral limits given in J-R standards. The theoretical and experimental studies indicate that stress corrosion studies are not limited to linear elastic fracture mechanics approach, but elastic plastic fracture mechanics is applicable as well. (author)

  1. Mechanical and fracture properties at impact loading of selected steels for nuclear power engineering

    International Nuclear Information System (INIS)

    Buchar, J.; Bilek, Z.

    1988-01-01

    The possibilities are briefly characterized of experimental research of mechanical and fracture properties of steels used in nuclear power engineering. Attention is paid to plastic deformation and the assessment of fracture formation during impact loading. The results are reported for steels 15Kh2MFA and 10GN2MFA. For steel 15Kh2MFA the effect was also studied of neutron radiation at different temperatures. From the theory developed for non-irradiated material 10GN2MFA, a prediction is made within the original model of the fracture stress value for steel 15Kh2MFA in both non-irradiated and irradiated states. The conclusion is arrived at that the existing methods of assessing steel properties at impact load allow obtaining knowledge of all significant effects during actual stress, this using only small specimens of the materials. (Z.M.). 4 figs., 8 refs

  2. Numerical simulation of the heat extraction in EGS with thermal-hydraulic-mechanical coupling method based on discrete fractures model

    International Nuclear Information System (INIS)

    Sun, Zhi-xue; Zhang, Xu; Xu, Yi; Yao, Jun; Wang, Hao-xuan; Lv, Shuhuan; Sun, Zhi-lei; Huang, Yong; Cai, Ming-yu; Huang, Xiaoxue

    2017-01-01

    The Enhanced Geothermal System (EGS) creates an artificial geothermal reservoir by hydraulic fracturing which allows heat transmission through the fractures by the circulating fluids as they extract heat from Hot Dry Rock (HDR). The technique involves complex thermal–hydraulic–mechanical (THM) coupling process. A numerical approach is presented in this paper to simulate and analyze the heat extraction process in EGS. The reservoir is regarded as fractured porous media consisting of rock matrix blocks and discrete fracture networks. Based on thermal non-equilibrium theory, the mathematical model of THM coupling process in fractured rock mass is used. The proposed model is validated by comparing it with several analytical solutions. An EGS case from Cooper Basin, Australia is simulated with 2D stochastically generated fracture model to study the characteristics of fluid flow, heat transfer and mechanical response in geothermal reservoir. The main parameters controlling the outlet temperature of EGS are also studied by sensitivity analysis. The results shows the significance of taking into account the THM coupling effects when investigating the efficiency and performance of EGS. - Highlights: • EGS reservoir comprising discrete fracture networks and matrix rock is modeled. • A THM coupling model is proposed for simulating the heat extraction in EGS. • The numerical model is validated by comparing with several analytical solutions. • A case study is presented for understanding the main characteristics of EGS. • The THM coupling effects are shown to be significant factors to EGS's running performance.

  3. Length-scale and strain rate-dependent mechanism of defect formation and fracture in carbon nanotubes under tensile loading

    Energy Technology Data Exchange (ETDEWEB)

    Javvaji, Brahmanandam [Indian Institute of Science, Department of Aerospace Engineering (India); Raha, S. [Indian Institute of Science, Department of Computational and Data Sciences (India); Mahapatra, D. Roy, E-mail: droymahapatra@aero.iisc.ernet.in [Indian Institute of Science, Department of Aerospace Engineering (India)

    2017-02-15

    Electromagnetic and thermo-mechanical forces play a major role in nanotube-based materials and devices. Under high-energy electron transport or high current densities, carbon nanotubes fail via sequential fracture. The failure sequence is governed by certain length scale and flow of current. We report a unified phenomenological model derived from molecular dynamic simulation data, which successfully captures the important physics of the complex failure process. Length-scale and strain rate-dependent defect nucleation, growth, and fracture in single-walled carbon nanotubes with diameters in the range of 0.47 to 2.03 nm and length which is about 6.17 to 26.45 nm are simulated. Nanotubes with long length and small diameter show brittle fracture, while those with short length and large diameter show transition from ductile to brittle fracture. In short nanotubes with small diameters, we observe several structural transitions like Stone-Wales defect initiation, its propagation to larger void nucleation, formation of multiple chains of atoms, conversion to monatomic chain of atoms, and finally complete fracture of the carbon nanotube. Hybridization state of carbon-carbon bonds near the end cap evolves, leading to the formation of monatomic chain in short nanotubes with small diameter. Transition from ductile to brittle fracture is also observed when strain rate exceeds a critical value. A generalized analytical model of failure is established, which correlates the defect energy during the formation of atomic chain with aspect ratio of the nanotube and strain rate. Variation in the mechanical properties such as elastic modulus, tensile strength, and fracture strain with the size and strain rate shows important implications in mitigating force fields and ways to enhance the life of electronic devices and nanomaterial conversion via fracture in manufacturing.

  4. Heat Recovery from Multiple-Fracture Enhanced Geothermal Systems: The Effect of Thermoelastic Fracture Interactions

    DEFF Research Database (Denmark)

    Vik, Hedda Slatlem; Salimzadeh, Saeed; Nick, Hamid

    2018-01-01

    This study investigates the effect of thermoelastic interactions between multiple parallel fractures on energy production from a multiple-fracture enhanced geothermal system. A coupled thermo-hydro-mechanical finite element model has been developed that accounts for non-isothermal fluid flow within...... increased to maximise the net energy production from the system. Otherwise, the multiple-fracture system fails to improve the energy recovery from the geothermal reservoir, as initially intended....... aperture in the adjacent fracture, and facilitates the creation of favourable flow pathways between the injection and production wells. These flow paths reduce the energy production from the system. The effects of fracture spacing, reservoir temperature gradient and mechanical properties of the rock matrix...

  5. Sensitivity analysis of a coupled hydro-mechanical paleo-climate model of density-dependent groundwater flow in discretely fractured crystalline rock

    International Nuclear Information System (INIS)

    Normani, S.D.; Sykes, J.F.

    2011-01-01

    A high resolution three-dimensional sub-regional scale (104 km 2 ) density-dependent, discretely fractured groundwater flow model with hydro-mechanical coupling and pseudo-permafrost was developed from a larger 5734 km 2 regional-scale groundwater flow model of a Canadian Shield setting. The objective of the work is to determine the sensitivity of modelled groundwater system evolution to the hydro-mechanical parameters. The discrete fracture dual continuum numerical model FRAC3DVS-OPG was used for all simulations. A discrete fracture network model delineated from surface features was superimposed onto an approximate 790 000 element domain mesh with approximately 850 000 nodes. Orthogonal fracture faces (between adjacent finite element grid blocks) were used to best represent the irregular discrete fracture zone network. Interconnectivity of the permeable fracture zones is an important pathway for the possible migration and subsequent reduction in groundwater and contaminant residence times. The crystalline rock matrix between these structural discontinuities was assigned mechanical and flow properties characteristic of those reported for the Canadian Shield. The variation of total dissolved solids with depth was assigned using literature data for the Canadian Shield. Performance measures for the sensitivity analysis include equivalent freshwater heads, environmental heads, linear velocities, and depth of penetration by conservative non-decaying tracers released at the surface. A 121 000 year North American continental scale paleo-climate simulation was applied to the domain with ice-sheet histories estimated by the University of Toronto Glacial Systems Model (UofT GSM). Hydro-mechanical coupling between the rock matrix and the pore fluid, due to the ice sheet normal stress, was included in the simulations. The flow model included the influence of vertical strain and assumed that areal loads were homogeneous. Permafrost depth was applied as a permeability reduction

  6. Elastic-plastic fracture mechanics for nuclear pressure vessels: a preliminary appraisal

    International Nuclear Information System (INIS)

    Hahn, G.T.; Broek, D.; Marschall, C.W.; Rosenfield, A.R.; Rybicki, E.F.; Schmueser, D.W.; Stonesifer, R.B.; Kanninen, M.F.

    1978-01-01

    A research program directed at assessing the margin of safety of flawed nuclear pressure vessels near and beyond general yielding is described. The program has the general objective of developing an elastic-plastic fracture mechanics methodology. The approach is based on the use of finite element models together with experimental results to identify criteria appropriate for the onset of crack extension and for stable crack growth. A number of criteria beyond the conventional LEFM R curve are being evaluated. These include the critical values of the J-integral, its derivative, the crack tip opening angle, the average crack opening angle, a generalized energy release rate, its components and a crack tip force. The optimum fracture criterion for nuclear vessels is being determined by systematic measurements of load extension curves, strain distribution, crack opening displacement, stable crack growth and instability on 'toughness scaled' model materials. Computations have been performed for center cracked panels of a model material (2219-T87 aluminium) for full shear failure. (author)

  7. Colloid and radionuclide retention mechanisms in fractured rock under near-natural flow conditions

    International Nuclear Information System (INIS)

    Delos, A.; Schaefer, T.; Geckeis, H.; Guimera, J.; Carrera, J.; Fanghaenel, T.

    2005-01-01

    Full text of publication follows: Experiments in fractured host rock (Grimsel Test Site, GTS, Switzerland) revealed that the colloid relevance for actinide migration is high due to the specific geochemical groundwater conditions [1]. However, even under such conditions it is found that retention of colloids and colloid-borne actinides becomes significant under near-natural groundwater flow rates (1-10 m/a) [2]. Underlying mechanisms of colloid and radionuclide retention are not well understood up to now. The present study co-funded by the NoE ACTINET-6 focuses on (i) the kinetics of actinide-colloid interactions and (ii) the relevance of matrix diffusion as a competition process to other retention mechanisms which affect the actinides behavior in fractured rock systems such as the Grimsel granodiorite. Colloid migration is studied with well defined model colloids as e.g. fluorescence dyed carboxylated polystyrene particles, and natural colloids extracted from bentonite (FEBEX) and from fracture filling material (GTS). In order to study the influence of matrix porosity on actinides migration, those experiments are performed in columns of well defined geometry filled with microporous unmodified silica spheres, porous ceramic material and natural fracture filling material from the GTS. The behaviour of actinides (Pu(IV) and Am(III)) sorbed onto bentonite colloids is investigated in column and batch experiments. All experiments are performed under anoxic conditions. Colloid characterization methods used in this study include the combination of photon correlation spectroscopy (PCS), laser-induced breakdown detection (LIBD), fluorimetry and field flow fractionation (FFF). Experimental results and their application to the parametrisation of reactive colloid transport models are discussed. [1] Geckeis H, Schaefer T, Hauser W, Rabung T, Missana T, Degueldre C, Moeri A, Eikenberg J, Fierz T, Alexander WR (2004) Results of the Colloid and Radionuclide Retention experiment

  8. Generalised fracture mechanics approach to the interfacial failure analysis of a bonded steel-concrete joint

    Czech Academy of Sciences Publication Activity Database

    De Corte, W.; Helincks, P.; Boel, V.; Klusák, Jan; Seitl, Stanislav; De Schutter, G.

    2017-01-01

    Roč. 11, č. 42 (2017), s. 147-160 ISSN 1971-8993 R&D Projects: GA MŠk(CZ) LQ1601; GA ČR(CZ) GA16-18702S Institutional support: RVO:68081723 Keywords : Epoxy adhesive * Fracture mechanics * Interfacial properties * Numerical study * Push-out test * Steel-concrete joint Subject RIV: JL - Materials Fatigue, Friction Mechanics OBOR OECD: Audio engineering, reliability analysis

  9. Fracturing process and effect of fracturing degree on wave velocity of a crystalline rock

    Directory of Open Access Journals (Sweden)

    Charalampos Saroglou

    2017-10-01

    Full Text Available The present paper investigates the effect of fracturing degree on P- and S-wave velocities in rock. The deformation of intact brittle rocks under loading conditions is characterized by a microcracking procedure, which occurs due to flaws in their microscopic structure and propagates through the intact rock, leading to shear fracture. This fracturing process is of fundamental significance as it affects the mechanical properties of the rock and hence the wave velocities. In order to determine the fracture mechanism and the effect of fracturing degree, samples were loaded at certain percentages of peak strength and ultrasonic wave velocity was recorded after every test. The fracturing degree was recorded on the outer surface of the sample and quantified by the use of the indices P10 (traces of joints/m, P20 (traces of joints/m2 and P21 (length of fractures/m2. It was concluded that the wave velocity decreases exponentially with increasing fracturing degree. Additionally, the fracturing degree is described adequately with the proposed indices. Finally, other parameters concerning the fracture characteristics, rock type and scale influence were found to contribute to the velocity decay and need to be investigated further.

  10. Numerical Analysis and Experimental Study of Hard Roofs in Fully Mechanized Mining Faces under Sleeve Fracturing

    Directory of Open Access Journals (Sweden)

    Zhitao Zheng

    2015-11-01

    Full Text Available Sudden falls of large-area hard roofs in a mined area release a large amount of elastic energy, generate dynamic loads, and cause disasters such as impact ground pressure and gas outbursts. To address these problems, in this study, the sleeve fracturing method (SFM was applied to weaken a hard roof. The numerical simulation software FLAC3D was used to develop three models based on an analysis of the SFM working mechanism. These models were applied to an analysis of the fracturing effects of various factors such as the borehole diameter, hole spacing, and sleeve pressure. Finally, the results of a simulation were validated using experiments with similar models. Our research indicated the following: (1 The crack propagation directions in the models were affected by the maximum principal stress and hole spacing. When the borehole diameter was fixed, the fracturing pressure increased with increasing hole spacing. In contrast, when the fracturing pressure was fixed, the fracturing range increased with increasing borehole diameter; (2 The most ideal fracturing effect was found at a fracturing pressure of 17.6 MPa in the model with a borehole diameter of 40 mm and hole spacing of 400 mm. The results showed that it is possible to regulate the falls of hard roofs using the SFM. This research may provide a theoretical basis for controlling hard roofs in mining.

  11. Fracture mechanics of hydroxyapatite single crystals under geometric confinement.

    Science.gov (United States)

    Libonati, Flavia; Nair, Arun K; Vergani, Laura; Buehler, Markus J

    2013-04-01

    Geometric confinement to the nanoscale, a concept that refers to the characteristic dimensions of structural features of materials at this length scale, has been shown to control the mechanical behavior of many biological materials or their building blocks, and such effects have also been suggested to play a crucial role in enhancing the strength and toughness of bone. Here we study the effect of geometric confinement on the fracture mechanism of hydroxyapatite (HAP) crystals that form the mineralized phase in bone. We report a series of molecular simulations of HAP crystals with an edge crack on the (001) plane under tensile loading, and we systematically vary the sample height whilst keeping the sample and the crack length constant. We find that by decreasing the sample height the stress concentration at the tip of the crack disappears for samples with a height smaller than 4.15nm, below which the material shows a different failure mode characterized by a more ductile mechanism with much larger failure strains, and the strength approaching that of a flaw-less crystal. This study directly confirms an earlier suggestion of a flaw-tolerant state that appears under geometric confinement and may explain the mechanical stability of the reinforcing HAP platelets in bone. Copyright © 2012 Elsevier Ltd. All rights reserved.

  12. Rock mechanics issues and research needs in the disposal of wastes in hydraulic fractures

    International Nuclear Information System (INIS)

    Doe, T.W.; McClain, W.C.

    1984-07-01

    The proposed rock mechanics studies outlined in this document are designed to answer the basic questions concerning hydraulic fracturing for waste disposal. These questions are: (1) how can containment be assured for Oak Ridge or other sites; and (2) what is the capacity of a site. The suggested rock mechanics program consists of four major tasks: (1) numerical modeling, (2) laboratory testing, (3) field testing, and (4) monitoring. These tasks are described

  13. Study on the mechanism of seepage flow in the grouting for multiple fractured model

    International Nuclear Information System (INIS)

    Nishigaki, Makoto; Mikake, Shin-ichiro

    2002-01-01

    The purpose of study is to improve the grouting method for fractured rock masses. In this paper, the results on the fundamental phenomenon for grasping the properties of grouting injection and seepage flow are discussed. The case of grouting stage is studied about the multiple hydraulic fractured apertures in the injected borehole. So the theory on the mechanism is constructed, and experiment is executed in order to verify the availability of the theory. From the results, it is shown that Bernoulli's law is able to prove the behavior of the grouting. And the theoretical evaluation is executed on the experiential procedure of the grouting. (author)

  14. Incorporation of Interfacial Intermetallic Morphology in Fracture Mechanism Map for Sn-Ag-Cu Solder Joints

    Science.gov (United States)

    Huang, Z.; Kumar, P.; Dutta, I.; Sidhu, R.; Renavikar, M.; Mahajan, R.

    2014-01-01

    A fracture mechanism map (FMM) is a powerful tool which correlates the fracture behavior of a material to its microstructural characteristics in an explicit and convenient way. In the FMM for solder joints, an effective thickness of the interfacial intermetallic compound (IMC) layer ( t eff) and the solder yield strength ( σ ys,eff) are used as abscissa and ordinate axes, respectively, as these two predominantly affect the fracture behavior of solder joints. Earlier, a definition of t eff, based on the uniform thickness of IMC ( t u) and the average height of the IMC scallops ( t s), was proposed and shown to aptly explain the fracture behavior of solder joints on Cu. This paper presents a more general definition of t eff that is more widely applicable to a range of metallizations, including Cu and electroless nickel immersion gold (ENIG). Using this new definition of t eff, mode I FMM for SAC387/Cu joints has been updated and its validity was confirmed. A preliminary FMM for SAC387/Cu joints with ENIG metallization is also presented.

  15. Comparison of continuum and atomistic methods for the analysis of InAs/GaAs quantum dots

    DEFF Research Database (Denmark)

    Barettin, D.; Pecchia, A.; Penazzi, G.

    2011-01-01

    We present a comparison of continuum k · p and atomistic empirical Tight Binding methods for the analysis of the optoelectronic properties of InAs/GaAs quantum dots.......We present a comparison of continuum k · p and atomistic empirical Tight Binding methods for the analysis of the optoelectronic properties of InAs/GaAs quantum dots....

  16. Continuum and micro-mechanics treatment of constraint in fracture

    International Nuclear Information System (INIS)

    Dodds, R.H. Jr.; Shih, C.F.

    1993-01-01

    This paper explores the fundamental concepts of the J-Q description of crack-tip fields, the fracture toughness locus and micromechanics approaches to predict the variability of macroscopic fracture toughness with constraint under elastic-plastic conditions. While these concepts derived from plane-strain considerations, initial applications in fully 3-D geometries are very promising. Computational results are presented for a surface cracked plate containing a 6:1 semi-elliptical, a=t/4 flaw subjected to remote uniaxial and biaxial tension. Crack-tip stress fields consistent with the J-Q theory are demonstrated to exist at each location along the crack front. The micromechanics model employs the J-Q description of crack-front stresses to interpret fracture toughness values measured on laboratory specimens for fracture assessment of the surface cracked plate. The computational results suggest only a minor effect of the biaxial loading on the crack tip stress fields and, consequently, on the propensity for fracture relative to the uniaxial loading. 45 refs., 19 figs., 3 tabs

  17. Low-temperature embrittlement and fracture of metals with different crystal lattices – Dislocation mechanisms

    Directory of Open Access Journals (Sweden)

    V.M. Chernov

    2016-12-01

    Full Text Available The state of a low-temperature embrittlement (cold brittleness and dislocation mechanisms for formation of the temperature of a ductile-brittle transition and brittle fracture of metals (mono- and polycrystals with various crystal lattices (BCC, FCC, HCP are considered. The conditions for their formation connected with a stress-deformed state and strength (low temperature yield strength as well as the fracture breaking stress and mobility of dislocations in the top of a crack of the fractured metal are determined. These conditions can be met for BCC and some HCP metals in the initial state (without irradiation and after a low-temperature damaging (neutron irradiation. These conditions are not met for FCC and many HCP metals. In the process of the damaging (neutron irradiation such conditions are not met also and the state of low-temperature embrittlement of metals is absent (suppressed due to arising various radiation dynamic processes, which increase the mobility of dislocations and worsen the strength characteristics.

  18. Probabilistic fracture mechanics analysis for leak-before-break evaluation of light water reactor's piping

    International Nuclear Information System (INIS)

    Yoshimura, Shinobu; Yagawa, Genki; Akiba, Hiroshi; Fujioka, Terutaka.

    1997-01-01

    This paper describes Probabilistic Fracture Mechanics (PFM) analyses for quantitative evaluation of the likelihood of Leak-Before-Break (LBB) of Light Water Reactor's (LWR's) piping. The PFM analyses in general assume probabilistic distributions of initial crack size, applied stress cycles, crack growth laws, fracture criteria, leakage detection capability, defect inspection capability and so on. Referring to the deterministic procedure for LBB evaluation, most appropriate PFM models and data for LBB evaluation are discussed. Here the LBB index is newly proposed in order to quantitatively evaluate the likelihood of LBB. Through intensive sensitivity analyses, it is clarified that the LBB is more likely to occur for larger diameter pipe; the performance of leakage detection significantly affects the LBB likelihood; the LBB likelihood increases with plant's aging even conservatively assuming leak detection capability; the R6 method (Category 1, Option 1) for fracture criterion gives very conservative results; and In-Service Inspection (ISI) reduces the increase rate of failure probability than the failure probability itself. (author)

  19. Atomistic modeling of carbon Cottrell atmospheres in bcc iron

    Science.gov (United States)

    Veiga, R. G. A.; Perez, M.; Becquart, C. S.; Domain, C.

    2013-01-01

    Atomistic simulations with an EAM interatomic potential were used to evaluate carbon-dislocation binding energies in bcc iron. These binding energies were then used to calculate the occupation probability of interstitial sites in the vicinity of an edge and a screw dislocation. The saturation concentration due to carbon-carbon interactions was also estimated by atomistic simulations in the dislocation core and taken as an upper limit for carbon concentration in a Cottrell atmosphere. We obtained a maximum concentration of 10 ± 1 at.% C at T = 0 K within a radius of 1 nm from the dislocation lines. The spatial carbon distributions around the line defects revealed that the Cottrell atmosphere associated with an edge dislocation is denser than that around a screw dislocation, in contrast with the predictions of the classical model of Cochardt and colleagues. Moreover, the present Cottrell atmosphere model is in reasonable quantitative accord with the three-dimensional atom probe data available in the literature.

  20. Fracture mechanics analysis and evaluation for the RPV of the Chinese Qinshan 300 MW NPP and PTS

    International Nuclear Information System (INIS)

    He Yinbiao; Isozaki, Toshikuni

    2000-03-01

    One of the most severe accident conditions of a reactor pressure vessel (RPV) in service is the loss of coolant accident (LOCA). Cold safety injection water is pumped into the downcomer of the RPV through inlet nozzles, while the internal pressure may remain at high level. Such an accident is called pressurized thermal shock (PTS) transient according to 10 CFR 50.61 definition. This paper illustrates the fracture mechanics analysis for the existing RPV of the Chinese Qinshan 300 MW nuclear power plant (NPP) under the postulated PTS transients that include SB-LOCA, LB-LOCA of Qinshan NPP and Rancho Seco transients. 3-D models with the flaw depth range a/w=0.05∼0.9 (a: flaw depth; w: wall thickness) were used to probe what kind of flaw and what kind of transient are most dangerous for the RPV in the end of life (EOF). Both the elastic and elastic-plastic material models were used in the stress analysis and fracture mechanics analysis. The different types of flaw and the influence of the stainless steel cladding on the fracture analysis were investigated for different PTS transients. comparing with the material initiation crack toughness K IC , the fracture evaluation for the RPV in question under PTS transients are performed in this paper. (author)

  1. Fracture of Carbon Nanotube - Amorphous Carbon Composites: Molecular Modeling

    Science.gov (United States)

    Jensen, Benjamin D.; Wise, Kristopher E.; Odegard, Gregory M.

    2015-01-01

    Carbon nanotubes (CNTs) are promising candidates for use as reinforcements in next generation structural composite materials because of their extremely high specific stiffness and strength. They cannot, however, be viewed as simple replacements for carbon fibers because there are key differences between these materials in areas such as handling, processing, and matrix design. It is impossible to know for certain that CNT composites will represent a significant advance over carbon fiber composites before these various factors have been optimized, which is an extremely costly and time intensive process. This work attempts to place an upper bound on CNT composite mechanical properties by performing molecular dynamics simulations on idealized model systems with a reactive forcefield that permits modeling of both elastic deformations and fracture. Amorphous carbon (AC) was chosen for the matrix material in this work because of its structural simplicity and physical compatibility with the CNT fillers. It is also much stiffer and stronger than typical engineering polymer matrices. Three different arrangements of CNTs in the simulation cell have been investigated: a single-wall nanotube (SWNT) array, a multi-wall nanotube (MWNT) array, and a SWNT bundle system. The SWNT and MWNT array systems are clearly idealizations, but the SWNT bundle system is a step closer to real systems in which individual tubes aggregate into large assemblies. The effect of chemical crosslinking on composite properties is modeled by adding bonds between the CNTs and AC. The balance between weakening the CNTs and improving fiber-matrix load transfer is explored by systematically varying the extent of crosslinking. It is, of course, impossible to capture the full range of deformation and fracture processes that occur in real materials with even the largest atomistic molecular dynamics simulations. With this limitation in mind, the simulation results reported here provide a plausible upper limit on

  2. Atomistic simulation of fatigue in face centred cubic metals

    International Nuclear Information System (INIS)

    Fan, Zhengxuan

    2016-01-01

    Fatigue is one of the major damage mechanisms of metals. It is characterized by strong environmental effects and wide lifetime dispersions which must be better understood. Different face centred cubic metals, al, Cu, Ni, and Ag are analyzed. The mechanical behaviour of surface steps naturally created by the glide of dislocations subjected to cyclic loading is examined using molecular dynamics simulations in vacuum and in air for Cu and Ni. an atomistic reconstruction phenomenon is observed at these surface steps which can induce strong irreversibility. Three different mechanisms of reconstruction are defined. Surface slip irreversibility under cyclic loading is analyzed. all surface steps are intrinsically irreversible under usual fatigue laboratory loading amplitude without the arrival of opposite sign dislocations on direct neighbor plane.With opposite sign dislocations on non direct neighbour planes, irreversibility cumulates cycle by cycle and a micro-notch is produced whose depth gradually increases.Oxygen environment affects the surface (first stage of oxidation) but does not lead to higher irreversibility as it has no major influence on the different mechanisms linked to surface relief evolution.a rough estimation of surface irreversibility is carried out for pure edge dislocations in persistent slip bands in so-called wavy materials. It gives an irreversibility fraction between 0.5 and 0.75 in copper in vacuum and in air, in agreement with recent atomic force microscopy measurements.Crack propagation mechanisms are simulated in inert environment. Cracks can propagate owing to the irreversibility of generated dislocations because of their mutual interactions up to the formation of dislocation junctions. (author) [fr

  3. Fracture Mechanics Assessment for Different Notch Sizes Using Finite Element Analysis Based on Ductile Failure Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Bae, Keun Hyung; Jeon, Jun Young; Han, Jae Jun; Nam, Hyun Suk; Lee, Dae Young; Kim, Yun Jae [Korea Univ., Seoul (Korea, Republic of)

    2016-08-15

    In this study, notch defects are evaluated using fracture mechanics. To understand the effects of notch defects, FE analysis is conducted to predict the limit load and J-integral for middle-cracked and single-edge cracked plates with various sizes of notch under tension and bending. As the radius of the notch increases, the energy release rate also increases, although the limit load remains constant. The values of fracture toughness(J{sub IC}) of SM490A are determined for various notch radii through FE simulation instead of conducting an experiment. As the radius of the notch increases, the energy release rate also increases, together with a more significant increase in fracture toughness. To conclude, as the notch radius increases, the resistance to crack propagation also increases.

  4. Metallurgical characteristics and fracture mechanical properties of unirradiated Kori-1 RPV weld: Linde 80, WF-233

    International Nuclear Information System (INIS)

    Hong, Jun Hwa; Lee, B. S.; Oh, Y. J.; Chi, S. H.; Kim, J. H.; Park, D. G.; Yoon, J. H.; Oh, J. M.

    2000-07-01

    The fracture toughness transition properties of the low upper shelf weld, Linde 80 WF-233, of Kori-1 RPV were evaluated by the master curve method, which is designated by ASTM E 1921, 'Standard test method for determination of reference temperature, T o , for ferritic steels in the transition range'. The reference temperature, T o =-83 deg C, was determined by PCVN specimens at -90 deg C. This value is similar to that of other high copper welds. The initial RT NDT was conservatively estimated as -26 deg F from the current fracture toughness results. From the studies on the chemistry and microstructure, the fracture mechanical properties of WF-233 weld is convincingly not worse than WF-70 and 72W welds

  5. A fracture mechanics study of tungsten failure under high heat flux loads

    International Nuclear Information System (INIS)

    Li, Muyuan

    2015-01-01

    The performance of fusion devices is highly dependent on plasma-facing components. Tungsten is the most promising candidate material for armors in plasma-facing components in ITER and DEMO. However, the brittleness of tungsten below the ductile-to-brittle transition temperature is very critical to the reliability of plasma-facing components. In this work, thermo-mechanical and fracture behaviors of tungsten are predicted numerically under fusion relevant thermal loadings.

  6. Proceedings of the 1985 pressure vessels and piping conference. Volume PVP-98-8. Fracture, fatigue and advanced mechanics

    International Nuclear Information System (INIS)

    Short, W.E.; Zamrik, S.Y.

    1985-01-01

    State-of-the-art engineering practices in pressure vessel and piping technology are the result of continual efforts in the evaluation of problems which have been experienced and the development of appropriate design and analysis methods for those applications. The resulting advances in technology benefit industry with properly engineered, safe, cost-effective pressure vessels and piping systems. To this end, advanced study continues in specialized areas of mechanical engineering such as fracture mechanics, experimental stress analysis, high pressure applications and related material considerations, as well as advanced techniques for evaluation of commonly encountered design problems. This volume is comprised of current technical papers on various aspects of fracture, fatigue and advanced mechanics as related to the design and analysis of pressure vessels and piping

  7. Multiresolution molecular mechanics: Surface effects in nanoscale materials

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Qingcheng, E-mail: qiy9@pitt.edu; To, Albert C., E-mail: albertto@pitt.edu

    2017-05-01

    Surface effects have been observed to contribute significantly to the mechanical response of nanoscale structures. The newly proposed energy-based coarse-grained atomistic method Multiresolution Molecular Mechanics (MMM) (Yang, To (2015), ) is applied to capture surface effect for nanosized structures by designing a surface summation rule SR{sup S} within the framework of MMM. Combined with previously proposed bulk summation rule SR{sup B}, the MMM summation rule SR{sup MMM} is completed. SR{sup S} and SR{sup B} are consistently formed within SR{sup MMM} for general finite element shape functions. Analogous to quadrature rules in finite element method (FEM), the key idea to the good performance of SR{sup MMM} lies in that the order or distribution of energy for coarse-grained atomistic model is mathematically derived such that the number, position and weight of quadrature-type (sampling) atoms can be determined. Mathematically, the derived energy distribution of surface area is different from that of bulk region. Physically, the difference is due to the fact that surface atoms lack neighboring bonding. As such, SR{sup S} and SR{sup B} are employed for surface and bulk domains, respectively. Two- and three-dimensional numerical examples using the respective 4-node bilinear quadrilateral, 8-node quadratic quadrilateral and 8-node hexahedral meshes are employed to verify and validate the proposed approach. It is shown that MMM with SR{sup MMM} accurately captures corner, edge and surface effects with less 0.3% degrees of freedom of the original atomistic system, compared against full atomistic simulation. The effectiveness of SR{sup MMM} with respect to high order element is also demonstrated by employing the 8-node quadratic quadrilateral to solve a beam bending problem considering surface effect. In addition, the introduced sampling error with SR{sup MMM} that is analogous to numerical integration error with quadrature rule in FEM is very small. - Highlights:

  8. Atomistic Monte Carlo Simulation of Lipid Membranes

    Directory of Open Access Journals (Sweden)

    Daniel Wüstner

    2014-01-01

    Full Text Available Biological membranes are complex assemblies of many different molecules of which analysis demands a variety of experimental and computational approaches. In this article, we explain challenges and advantages of atomistic Monte Carlo (MC simulation of lipid membranes. We provide an introduction into the various move sets that are implemented in current MC methods for efficient conformational sampling of lipids and other molecules. In the second part, we demonstrate for a concrete example, how an atomistic local-move set can be implemented for MC simulations of phospholipid monomers and bilayer patches. We use our recently devised chain breakage/closure (CBC local move set in the bond-/torsion angle space with the constant-bond-length approximation (CBLA for the phospholipid dipalmitoylphosphatidylcholine (DPPC. We demonstrate rapid conformational equilibration for a single DPPC molecule, as assessed by calculation of molecular energies and entropies. We also show transition from a crystalline-like to a fluid DPPC bilayer by the CBC local-move MC method, as indicated by the electron density profile, head group orientation, area per lipid, and whole-lipid displacements. We discuss the potential of local-move MC methods in combination with molecular dynamics simulations, for example, for studying multi-component lipid membranes containing cholesterol.

  9. Near Wellbore Hydraulic Fracture Propagation from Perforations in Tight Rocks: The Roles of Fracturing Fluid Viscosity and Injection Rate

    Directory of Open Access Journals (Sweden)

    Seyed Hassan Fallahzadeh

    2017-03-01

    Full Text Available Hydraulic fracture initiation and near wellbore propagation is governed by complex failure mechanisms, especially in cased perforated wellbores. Various parameters affect such mechanisms, including fracturing fluid viscosity and injection rate. In this study, three different fracturing fluids with viscosities ranging from 20 to 600 Pa.s were used to investigate the effects of varying fracturing fluid viscosities and fluid injection rates on the fracturing mechanisms. Hydraulic fracturing tests were conducted in cased perforated boreholes made in tight 150 mm synthetic cubic samples. A true tri-axial stress cell was used to simulate real far field stress conditions. In addition, dimensional analyses were performed to correspond the results of lab experiments to field-scale operations. The results indicated that by increasing the fracturing fluid viscosity and injection rate, the fracturing energy increased, and consequently, higher fracturing pressures were observed. However, when the fracturing energy was transferred to a borehole at a faster rate, the fracture initiation angle also increased. This resulted in more curved fracture planes. Accordingly, a new parameter, called fracturing power, was introduced to relate fracture geometry to fluid viscosity and injection rate. Furthermore, it was observed that the presence of casing in the wellbore impacted the stress distribution around the casing in such a way that the fracture propagation deviated from the wellbore vicinity.

  10. Mechanical and fracture behaviour of Ti-6Al-2Sn-4Zr-2Mo-0.1Si alloys

    International Nuclear Information System (INIS)

    Dogan, B.; Schwalbe, K.H.

    1990-01-01

    Titanium alloys have increasingly been used in gas turbine applications due to their high strength-to-weight ratio that leads to improved engine performance and fuel efficiency. The development of required mechanical properties in titanium alloys is strongly controlled by the microstructure achieved by heat treatment and thermomechanical processing. A study is conducted on two Ti-6242-Si alloys with a lamellar and an equiaxed microstructure, to assess the effects of microstructure on the deformation and fracture behaviour based on structural observations. The observations are made on fracture surfaces and sectioned side surfaces of fractured tensile, creep, impact and fracture toughness specimens tested at test temperatures up to 500deg C, correlated with the microstructural constituents. (orig.) With 6 figs., 3 tabs [de

  11. Mechanical properties and fracture mechanism of as-cast Mg77TM12Zn5Y6 (TM = Cu, Ni) bulk amorphous matrix composites

    International Nuclear Information System (INIS)

    Qiu, K.Q.; Hu, N.N.; Zhang, H.B.; Jiang, W.H.; Ren, Y.L.; Liaw, P.K.

    2009-01-01

    Comparative investigations on the microstructures, thermal stability and mechanical properties of Mg 77 Cu 12 Zn 5 Y 6 and Mg 77 Ni 12 Zn 5 Y 6 bulk metallic glass matrix composites were carried out by using scanning electron microscopy (SEM), DSC and compressive tester. The results show that the microstructure of as-cast samples with 3 mm in diameter for Cu-containing alloy is consisted of Mg flakes and dotted Mg 2 Cu phase in the amorphous matrix, while the as-cast Ni-containing alloy with the same diameter is mainly consisted of Mg flakes in the amorphous matrix. The glass transition temperature and supercooled liquid region are 413 K and 27 K for the Cu-containing, 443 K and 32 K for the Ni-containing amorphous matrix composites, respectively. The fracture strength, yield strength and plastic strain are 532 MPa, 390 MPa and 2.4% for the Cu-containing alloy, 667 MPa, 412 MPa and 7% for the Ni-containing alloy, respectively. Furthermore, the fracture mechanism for the amorphous matrix composites was discussed according to both the fracture surfaces and the stress-strain curves.

  12. A New Approach to the Modeling and Analysis of Fracture through Extension of Continuum Mechanics to the Nanoscale

    KAUST Repository

    Sendova, T.

    2010-02-15

    In this paper we focus on the analysis of the partial differential equations arising from a new approach to modeling brittle fracture based on an extension of continuum mechanics to the nanoscale. It is shown that ascribing constant surface tension to the fracture surfaces and using the appropriate crack surface boundary condition given by the jump momentum balance leads to a sharp crack opening profile at the crack tip but predicts logarithmically singular crack tip stress. However, a modified model, where the surface excess property is responsive to the curvature of the fracture surfaces, yields bounded stresses and a cusp-like opening profile at the crack tip. Further, two possible fracture criteria in the context of the new theory are discussed. The first is an energy-based crack growth condition, while the second employs the finite crack tip stress the model predicts. The classical notion of energy release rate is based upon the singular solution, whereas for the modeling approach adopted here, a notion analogous to the energy release rate arises through a different mechanism associated with the rate of working of the surface excess properties at the crack tip. © The Author(s), 2010.

  13. Strength and fracture mechanism of iron reinforced tricalcium phosphate cermet fabricated by spark plasma sintering.

    Science.gov (United States)

    Tkachenko, Serhii; Horynová, Miroslava; Casas-Luna, Mariano; Diaz-de-la-Torre, Sebastian; Dvořák, Karel; Celko, Ladislav; Kaiser, Jozef; Montufar, Edgar B

    2018-05-01

    The present work studies the microstructure and mechanical performance of tricalcium phosphate (TCP) based cermet toughened by iron particles. A novelty arises by the employment of spark plasma sintering for fabrication of the cermet. Results showed partial transformation of initial alpha TCP matrix to beta phase and the absence of oxidation of iron particles, as well as a lack of chemical reaction between TCP and iron components during sintering. The values of compressive and tensile strength of TCP/Fe cermet were 3.2 and 2.5 times, respectively, greater than those of monolithic TCP. Fracture analysis revealed the simultaneous action of crack-bridging and crack-deflection microstructural toughening mechanisms under compression. In contrast, under tension the reinforcing mechanism was only crack-bridging, being the reason for smaller increment of strength. Elastic properties of the cermet better matched values reported for human cortical bone. Thereby the new TCP/Fe cermet has potential for eventual use as a material for bone fractures fixation under load-bearing conditions. Copyright © 2018 Elsevier Ltd. All rights reserved.

  14. Isolated posterior malleolus fracture: A rare injury mechanism ...

    African Journals Online (AJOL)

    Sprain of the ankle is undoubtedly a common injury during athletic activity, and the sprain can be also associated with fracture of the ankle. Isolated posterior malleolus fracture is a very rare condition, which is usually missed. Here, we are presenting a 37 years old female patient, who suffered injury secondary pressing on ...

  15. Analysis and modeling of coupled thermo-hydro-mechanical phenomena in 3D fractured media

    International Nuclear Information System (INIS)

    Canamon Valera, I.

    2006-11-01

    This doctoral research was conducted as part of a joint France-Spain co-tutelage PhD thesis in the framework of a bilateral agreement between two universities, the Institut National Polytechnique de Toulouse (INPT) and the Universidad Politecnica de Madrid (UPM). It concerns a problem of common interest at the national and international levels, namely, the disposal of radioactive waste in deep geological repositories. The present work is devoted, more precisely, to near-field hydrogeological aspects involving mass and heat transport phenomena. The first part of the work is devoted to a specific data interpretation problem (pressures, relative humidities, temperatures) in a multi-barrier experimental system at the scale of a few meters - the 'Mock-Up Test' of the FEBEX project, conducted in Spain. Over 500 time series are characterized in terms of spatial, temporal, and/or frequency/scale-based statistical analysis techniques. The time evolution and coupling of physical phenomena during the experiment are analyzed, and conclusions are drawn concerning the behavior and reliability of the sensors. The second part of the thesis develops in more detail the 3-Dimensional (3D) modeling of coupled Thermo-Hydro-Mechanical phenomena in a fractured porous rock, this time at the scale of a hundred meters, based on the data of the 'In-Situ Test' of the FEBEX project conducted at the Grimsel Test Site in the Swiss Alps. As a first step, a reconstruction of the 3D fracture network is obtained by Monte Carlo simulation, taking into account through optimization the geomorphological data collected around the FEBEX gallery. The heterogeneous distribution of traces observed on the cylindrical wall of the tunnel is fairly well reproduced in the simulated network. In a second step, we develop a method to estimate the equivalent permeability of a many-fractured block by extending the superposition method of Ababou et al. [1994] to the case where the permeability of the rock matrix is not

  16. A fracture mechanics assessment of surface cracks existing in protective layers of multi-layer composite pipes

    Czech Academy of Sciences Publication Activity Database

    Hutař, Pavel; Náhlík, Luboš; Šestáková, Lucie; Ševčík, Martin; Knésl, Zdeněk; Nezbedová, E.

    2010-01-01

    Roč. 92, č. 5 (2010), s. 1120-1125 ISSN 0263-8223 R&D Projects: GA ČR GA106/09/0279 Institutional research plan: CEZ:AV0Z20410507 Keywords : Protective layers * Multi-layer pipes damage * Fracture mechanics * Bi-material interface * Generalized stress intensity factor Subject RIV: JL - Materials Fatigue, Friction Mechanics Impact factor: 2.028, year: 2010

  17. Strain rate effects on the mechanical properties and fracture mode of skeletal muscle

    Energy Technology Data Exchange (ETDEWEB)

    Shapiro, Michael; Tovar, Nick; Yoo, Daniel [Biomaterials and Biomimetics, New York University College of Dentistry (United States); Sobieraj, Micheal [Orthopedic Surgery, Hospital for Joint Diseases (United States); Gupta, Nikhil [Mechanical and Aerospace Engineering, NYU-Poly (United States); Branski, Ryan C. [Dept of Otolaryngology, New York University School of Medicine (United States); Coelho, Paulo G., E-mail: pc92@nyu.edu [Biomaterials and Biomimetics, New York University College of Dentistry (United States)

    2014-06-01

    The present study aimed to characterize the mechanical response of beagle sartorius muscle fibers under strain rates that increase logarithmically (0.1 mm/min, 1 mm/min and 10 mm/min), and provide an analysis of the fracture patterns of these tissues via scanning electron microscopy (SEM). Muscle tissue from dogs' sartorius was excised and test specimens were sectioned with a lancet into sections with nominal length, width, and thickness of 7, 2.5 and 0.6 mm, respectively. Trimming of the tissue was done so that the loading would be parallel to the direction of the muscle fiber. Samples were immediately tested following excision and failures were observed under the SEM. No statistically significant difference was observed in strength between the 0.1 mm/min (2.560 ± 0.37 MPa) and the 1 mm/min (2.702 ± 0.55 MPa) groups. However, the 10 mm/min group (1.545 ± 0.50 MPa) had a statistically significant lower strength than both the 1 mm/min group and the 0.1 mm/min group with p < 0.01 in both cases. At the 0.1 mm/min rate the primary fracture mechanism was that of a shear mode failure of the endomysium with a significant relative motion between fibers. At 1 mm/min this continues to be the predominant failure mode. At the 10 mm/min strain rate there is a significant change in the fracture pattern relative to other strain rates, where little to no evidence of endomysial shear failure nor of significant motion between fibers was detected.

  18. An Atomistic Modeling Study of Alloying Element Impurity Element, and Transmutation Products on the cohesion of A Nickel E5 {001} Twist Grain Boundary

    International Nuclear Information System (INIS)

    Young, G.A. Jr.; Najafabadi, R.; Strohmayer, W.; Baldrey, D.G.; Hamm, B.; Harris, J.; Sticht, J.; Wimmer, E.

    2003-01-01

    Atomistic modeling methods were employed to investigate the effects of impurity elements on the metallurgy, irradiation embrittlement, and environmentally assisted cracking of nickel-base alloys exposed to nuclear environments. Calculations were performed via ab initio atomistic modeling methods to ensure the accuracy and reliability of the results. A Griffith-type fracture criterion was used to quantitatively assess the effect of elements or element pairs on the grain boundary cohesive strength. In order of most embrittling to most strengthening, the elements are ranked as: He, Li, S, H, C, Zr, P, Fe, Mn, Nb, Cr, and B. Helium is strongly embrittling (-2.04 eV/atom lowering of the Griffith energy), phosphorus has little effect on the grain boundary (0.1 eV/atom), and boron offers appreciable strengthening (1.03 eV/atom increase in the Griffith energy). Calculations for pairs of elements (H-Li, H-B, H-C, H-P, and H-S) show little interaction on the grain boundary cohesive energy, so that for the conditions studied, linear superposition of elemental effects is a good approximation. These calculations help explain metallurgical effects (e.g. why boron can strengthen grain boundaries), irradiation embrittlement (e.g. how boron transmutation results in grain boundary embrittlement), as well as how grain boundary impurity elements can affect environmentally assisted cracking (i.e. low temperature crack propagation and stress corrosion cracking) of nickel-base alloys

  19. The Mechanical and Fracturing of Rockburst in Tunnel and Its Acoustic Emission Characteristics

    Directory of Open Access Journals (Sweden)

    Xiangxin Liu

    2018-01-01

    Full Text Available The phenomenon of acoustic emission (AE is associated with rock failure and rock fracturing. In order to investigate the influence of tectonic stress on rockburst in tunnel, a biaxial loading experiment system was used in this study. The excavation operation is undertaken at the center of samples to monitor the tunnel forming process in situ, and the different horizontal stresses can be studied by using the AE monitoring technique. The dynamical fracturing process of the tunnel model was summarized, and the timing parameters of AE signals in rockburst stages were obtained. The curves of AE energy and cumulative AE energy with time show a “step-like” rising trend before the occurrence of rockburst. The evolution of macro- and mesocracks is captured, and the mechanical conditions for a “V-shaped” rockburst pit are derived. As the horizontal stress increases, the effect of excavation unloading becomes more pronounced, and the damage caused by the rockburst intensifies. In the early stage of rockburst evolution, the fracturing type follows a model of tensile-shear mix model. A positive relationship between the ratio of shear fracturing type and the horizontal stress can be noted when the rock is about to burst, and the high intensity and the high energy released of from the rock-fracturing event have become evident. Thus, the results indicate that one should focus on monitoring both sides of the surrounding rock of the tunnel so as to extract the characteristics of the process of tunnel in tunnel. The applications of biaxial loading system and during an excavation operation provide a useful tool to simulate the rock burst in tunnel at an engineering site.

  20. Crack propagation and fracture in silicon carbide

    International Nuclear Information System (INIS)

    Evans, A.G.; Lange, F.F.

    1975-01-01

    Fracture mechanics and strength studies performed on two silicon carbides - a hot-pressed material (with alumina) and a sintered material (with boron) - have shown that both materials exhibit slow crack growth at room temperature in water, but only the hot-pressed material exhibits significant high temperature slow crack growth (1000 to 1400 0 C). A good correlation of the observed fracture behaviour with the crack growth predicted from the fracture mechanics parameters shows that effective failure predictions for this material can be achieved using macro-fracture mechanics data. (author)

  1. Relationships between fractures

    Science.gov (United States)

    Peacock, D. C. P.; Sanderson, D. J.; Rotevatn, A.

    2018-01-01

    Fracture systems comprise many fractures that may be grouped into sets based on their orientation, type and relative age. The fractures are often arranged in a network that involves fracture branches that interact with one another. Interacting fractures are termed geometrically coupled when they share an intersection line and/or kinematically coupled when the displacements, stresses and strains of one fracture influences those of the other. Fracture interactions are characterised in terms of the following. 1) Fracture type: for example, whether they have opening (e.g., joints, veins, dykes), closing (stylolites, compaction bands), shearing (e.g., faults, deformation bands) or mixed-mode displacements. 2) Geometry (e.g., relative orientations) and topology (the arrangement of the fractures, including their connectivity). 3) Chronology: the relative ages of the fractures. 4) Kinematics: the displacement distributions of the interacting fractures. It is also suggested that interaction can be characterised in terms of mechanics, e.g., the effects of the interaction on the stress field. It is insufficient to describe only the components of a fracture network, with fuller understanding coming from determining the interactions between the different components of the network.

  2. Complexity: a new paradigm for fracture mechanics

    Directory of Open Access Journals (Sweden)

    S. Puzzi

    2009-10-01

    Full Text Available The so-called Complexity Sciences are a topic of fast growing interest inside the scientific community. Actually, researchers did not come to a definition of complexity, since it manifests itself in so many different ways [1]. This field itself is not a single discipline, but rather a heterogeneous amalgam of different techniques of mathematics and science. In fact, under the label of Complexity Sciences we comprehend a large variety of approaches: nonlinear dynamics, deterministic chaos theory, nonequilibrium thermodynamics, fractal geometry, intermediate asymptotics, complete and incomplete similarity, renormalization group theory, catastrophe theory, self-organized criticality, neural networks, cellular automata, fuzzy logic, etc. Aim of this paper is at providing insight into the role of complexity in the field of Materials Science and Fracture Mechanics [2-3]. The presented examples will be concerned with the snap-back instabilities in the structural behaviour of composite structures (Carpinteri [4-6], the occurrence of fractal patterns and selfsimilarity in material damage and deformation of heterogeneous materials, and the apparent scaling on the nominal mechanical properties of disordered materials (Carpinteri [7,8]. Further examples will deal with criticality in the acoustic emissions of damaged structures and with scaling in the time-to-failure (Carpinteri et al. [9]. Eventually, results on the transition towards chaos in the dynamics of cracked beams will be reported (Carpinteri and Pugno [10,11].

  3. Scaphoid fractures in children

    Directory of Open Access Journals (Sweden)

    Gajdobranski Đorđe

    2014-01-01

    Full Text Available Introduction. Scaphoid fractures are rare in childhood. Diagnosis is very difficult to establish because carpal bones are not fully ossified. In suspected cases comparative or delayed radiography is used, as well as computerized tomography, magnetic resonance imaging, ultrasound and bone scintigraphy. Majority of scaphoid fractures are treated conservatively with good results. In case of delayed fracture healing various types of treatment are available. Objective. To determine the mechanism of injury, clinical healing process, types and outcome of treatment of scaphoid fractures in children. Methods. We retrospectively analyzed patients with traumatic closed fracture of the scaphoid bone over a ten-year period (2002-2011. The outcome of the treatment of “acute” scaphoid fracture was evaluated using the Mayo Wrist Score. Results. There were in total 34 patients, of mean age 13.8 years, with traumatic closed fracture of the scaphoid bone, whose bone growth was not finished yet. Most common injury mechanism was fall on outstretched arm - 76% of patients. During the examined period 31 children with “acute” fracture underwent conservative treatment, with average immobilization period of 51 days. Six patients were lost to follow-up. In the remaining 25 patients, after completed rehabilitation, functional results determined by the Mayo Wrist Score were excellent. Conclusion. Conservative therapy of “acute” scaphoid fractures is an acceptable treatment option for pediatric patients with excellent functional results.

  4. Development of Deterministic and Probabilistic Fracture Mechanics Analysis Code PROFAS-RV for Reactor Pressure Vessel - Progress of the Work

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jong Min; Lee, Bong Sang [KAERI, Daejeon (Korea, Republic of)

    2016-05-15

    In this study, a deterministic/probabilistic fracture mechanics analysis program for reactor pressure vessel, PROFAS-RV, is developed. This program can evaluate failure probability of RPV using recent radiation embrittlement model of 10CFR50.61a and stress intensity factor calculation method of RCC-MRx code as well as the required basic functions of PFM program. Applications of some new radiation embrittlement model, material database, calculation method of stress intensity factors, and others which can improve fracture mechanics assessment of RPV are introduced. The purpose of this study is to develop a probabilistic fracture mechanics (PFM) analysis program for RPV considering above modification and application of newly developed models and calculation methods. In this paper, it deals with the development progress of the PFM analysis program for RPV, PROFAS-RV. The PROFAS-RV is being tested with other codes, and it is expected to revise and upgrade by reflecting the latest model and calculation method continuously. These efforts can minimize the uncertainty of the integrity evaluation for the reactor pressure vessel.

  5. Failure mechanisms and electromechanical coupling in semiconducting nanowires

    Directory of Open Access Journals (Sweden)

    Peng B.

    2010-06-01

    Full Text Available One dimensional nanostructures, like nanowires and nanotubes, are increasingly being researched for the development of next generation devices like logic gates, transistors, and solar cells. In particular, semiconducting nanowires with a nonsymmetric wurtzitic crystal structure, such as zinc oxide (ZnO and gallium nitride (GaN, have drawn immense research interests due to their electromechanical coupling. The designing of the future nanowire-based devices requires component-level characterization of individual nanowires. In this paper, we present a unique experimental set-up to characterize the mechanical and electromechanical behaviour of individual nanowires. Using this set-up and complementary atomistic simulations, mechanical properties of ZnO nanowires and electromechanical properties of GaN nanowires were investigated. In ZnO nanowires, elastic modulus was found to depend on nanowire diameter decreasing from 190 GPa to 140 GPa as the wire diameter increased from 5 nm to 80 nm. Inconsistent failure mechanisms were observed in ZnO nanowires. Experiments revealed a brittle fracture, whereas simulations using a pairwise potential predicted a phase transformation prior to failure. This inconsistency is addressed in detail from an experimental as well as computational perspective. Lastly, in addition to mechanical properties, preliminary results on the electromechanical properties of gallium nitride nanowires are also reported. Initial investigations reveal that the piezoresistive and piezoelectric behaviour of nanowires is different from bulk gallium nitride.

  6. Simulated evolution of fractures and fracture networks subject to thermal cooling: A coupled discrete element and heat conduction model

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Hai; Plummer, Mitchell; Podgorney, Robert

    2013-02-01

    Advancement of EGS requires improved prediction of fracture development and growth during reservoir stimulation and long-term operation. This, in turn, requires better understanding of the dynamics of the strongly coupled thermo-hydro-mechanical (THM) processes within fractured rocks. We have developed a physically based rock deformation and fracture propagation simulator by using a quasi-static discrete element model (DEM) to model mechanical rock deformation and fracture propagation induced by thermal stress and fluid pressure changes. We also developed a network model to simulate fluid flow and heat transport in both fractures and porous rock. In this paper, we describe results of simulations in which the DEM model and network flow & heat transport model are coupled together to provide realistic simulation of the changes of apertures and permeability of fractures and fracture networks induced by thermal cooling and fluid pressure changes within fractures. Various processes, such as Stokes flow in low velocity pores, convection-dominated heat transport in fractures, heat exchange between fluid-filled fractures and solid rock, heat conduction through low-permeability matrices and associated mechanical deformations are all incorporated into the coupled model. The effects of confining stresses, developing thermal stress and injection pressure on the permeability evolution of fracture and fracture networks are systematically investigated. Results are summarized in terms of implications for the development and evolution of fracture distribution during hydrofracturing and thermal stimulation for EGS.

  7. Application of fracture-mechanics principles to austenitic steels

    International Nuclear Information System (INIS)

    Schwalbe, K.H.; Cornec, A.; Baustian, K.

    1996-01-01

    Recent experimental and analytical work mainly carried out at GKSS and TH Darmstadt is used to check the usefulness of fracture mechanics methods as developed for more conventional materials, such as ferritic steels and aluminium alloys. Finite element calculations serve for quantifying J validity limits; they are a function of constraint conditions and strain hardening properties. Crack growth studies show the ability of the J-integral, the modified J-integral, J(M), and of the crack tip opening displacement, CTOD delta(5), to generate unique, i.e. size-independent, R-curves. It is also shown that the delta(5)-type CTOD technique yields values close to the standardised CTOD. Finally, the Engineering Treatment Model is used to estimate delta(5) and J as driving force parameters. Special attention is given to the power law representation of actual stress/strain curves. (author)

  8. Atomistic simulation of CO 2 solubility in poly(ethylene oxide) oligomers

    KAUST Repository

    Hong, Bingbing; Panagiotopoulos, Athanassios Z.

    2013-01-01

    We have performed atomistic molecular dynamics simulations coupled with thermodynamic integration to obtain the excess chemical potential and pressure-composition phase diagrams for CO2 in poly(ethylene oxide) oligomers. Poly(ethylene oxide

  9. Adaptive spacetime method using Riemann jump conditions for coupled atomistic-continuum dynamics

    International Nuclear Information System (INIS)

    Kraczek, B.; Miller, S.T.; Haber, R.B.; Johnson, D.D.

    2010-01-01

    We combine the Spacetime Discontinuous Galerkin (SDG) method for elastodynamics with the mathematically consistent Atomistic Discontinuous Galerkin (ADG) method in a new scheme that concurrently couples continuum and atomistic models of dynamic response in solids. The formulation couples non-overlapping continuum and atomistic models across sharp interfaces by weakly enforcing jump conditions, for both momentum balance and kinematic compatibility, using Riemann values to preserve the characteristic structure of the underlying hyperbolic system. Momentum balances to within machine-precision accuracy over every element, on each atom, and over the coupled system, with small, controllable energy dissipation in the continuum region that ensures numerical stability. When implemented on suitable unstructured spacetime grids, the continuum SDG model offers linear computational complexity in the number of elements and powerful adaptive analysis capabilities that readily bridge between atomic and continuum scales in both space and time. A special trace operator for the atomic velocities and an associated atomistic traction field enter the jump conditions at the coupling interface. The trace operator depends on parameters that specify, at the scale of the atomic spacing, the position of the coupling interface relative to the atoms. In a key finding, we demonstrate that optimizing these parameters suppresses spurious reflections at the coupling interface without the use of non-physical damping or special boundary conditions. We formulate the implicit SDG-ADG coupling scheme in up to three spatial dimensions, and describe an efficient iterative solution scheme that outperforms common explicit schemes, such as the Velocity Verlet integrator. Numerical examples, in 1dxtime and employing both linear and nonlinear potentials, demonstrate the performance of the SDG-ADG method and show how adaptive spacetime meshing reconciles disparate time steps and resolves atomic-scale signals in

  10. Comparison of tibial shaft ski fractures in children and adults.

    Science.gov (United States)

    Hamada, Tomo; Matsumoto, Kazu; Ishimaru, Daichi; Sumi, Hiroshi; Shimizu, Katsuji

    2014-09-01

    To examine whether child and adult skiers have different risk factors or mechanisms of injury for tibial shaft fractures. Descriptive epidemiological study. Prospectively analyzed the epidemiologic factors, injury types, and injury mechanisms at Sumi Memorial Hospital. This study analyzed information obtained from 276 patients with tibial fractures sustained during skiing between 2004 and 2012. We focused on 174 ski-related tibial shaft fractures with respect to the following factors: age, gender, laterality of fracture, skill level, mechanism of fracture (fall vs collision), scene of injury (steepness of slope), snow condition, and weather. Fracture pattern was graded according to Arbeitsgemeinschaft für Osteosynthesefragen (AO) classification and mechanical direction [external (ER) or internal rotation (IR)]. Tibial shaft fractures were the most common in both children (89.3%) and adults (47.4%). There were no significant differences in gender, side of fracture, mechanism of fracture, snow condition, or weather between children and adults. Skill levels were significantly lower in children than in adults (P differences in some of these parameters, suggesting that child and adult skiers have different risk factors or mechanisms of injury for tibial shaft fractures.

  11. An evaluation of fracture toughness of bituminous coal

    International Nuclear Information System (INIS)

    Pathan, A.G.

    2005-01-01

    The role of fracture mechanics in the design of rock structures is vitally important. However, because of the complexities of rock structures and lack of understanding of the fundamentals of the failure mechanism, it has become customary to use the engineering properties approach in the design of stable rock structures. Recently considerable attention has been given and attempts are being made to apply the fracture mechanics approach to the design of safe mining structures. In mining engineering the fracture mechanics may be applied to calculate the formation of fracture zones around mine opening, thus estimating support requirements and formulating guide lines for the selection of mine roadway support system. The research work presented here is concerned with the evaluation of fracture toughness of coal under laboratory conditions. Diametral compression test method is used to determine the fracture toughness parameter of coal in the opening model failure. The effect of crack length and dimensionless crack length on the fracture toughness was studied also. A laboratory investigation of fracture toughness of coal in tensile mode failure has led to the conclusion that fracture toughness could be treated as a material property. (author)

  12. Reliability calculation of cracked components using probabilistic fracture mechanics and a Markovian approach

    International Nuclear Information System (INIS)

    Schmidt, T.

    1988-01-01

    The numerical reliability calculation of cracked construction components under cyclical fatigue stress can be done with the help of models of probabilistic fracture mechanics. An alternative to the Monte Carlo simulation method is examined; the alternative method is based on the description of failure processes with the help of a Markov process. The Markov method is traced back directly to the stochastic parameters of a two-dimensional fracture mechanics model, the effects of inspections and repairs also being considered. The probability of failure and expected failure frequency can be determined as time functions with the transition and conditional probabilities of the original or derived Markov process. For concrete calculation, an approximative Markov chain is designed which, under certain conditions, is capable of giving a sufficient approximation of the original Markov process and the reliability characteristics determined by it. The application of the MARKOV program code developed into an algorithm reveals sufficient conformity with the Monte Carlo reference results. The starting point of the investigation was the 'Deutsche Risikostudie B (DWR)' ('German Risk Study B (DWR)'), specifically, the reliability of the main coolant line. (orig./HP) [de

  13. An Atomistic View on Human Hemoglobin Carbon Monoxide Migration Processes

    Science.gov (United States)

    Lucas, M. Fátima; Guallar, Víctor

    2012-01-01

    A significant amount of work has been devoted to obtaining a detailed atomistic knowledge of the human hemoglobin mechanism. Despite this impressive research, to date, the ligand diffusion processes remain unclear and controversial. Using recently developed computational techniques, PELE, we are capable of addressing the ligand migration processes. First, the methodology was tested on myoglobin's CO migration, and the results were compared with the wealth of theoretical and experimental studies. Then, we explored both hemoglobin tense and relaxed states and identified the differences between the α-and β-subunits. Our results indicate that the proximal site, equivalent to the Xe1 cavity in myoglobin, is never visited. Furthermore, strategically positioned residues alter the diffusion processes within hemoglobin's subunits and suggest that multiple pathways exist, especially diversified in the α-globins. A significant dependency of the ligand dynamics on the tertiary structure is also observed. PMID:22385860

  14. A fracture- mechanics calculation of crack growth rate for a gas turbine blade

    International Nuclear Information System (INIS)

    Mirzaei, M.; Karimi, R.

    2002-01-01

    The existence of thermo-mechanical stresses, due to the frequent start-ups and shutdowns of gas turbines. Combined with high working temperatures may cause creep and fatigue failure of the blades. This paper describes a fracture-mechanics life assessment of a gas turbine blade. Initially, the distributions of thermal and mechanical stresses were obtained by using the finite element method. Accordingly; the crack modeling was performed in a high stress region at the suction side surface of the blade. Several crack growth increments were observed and the related crack tip parameters were calculated. Finally; the creep-fatigue crack growth in each cycle was calculated and the total number of start-stop cycles was determined

  15. Ballistic fractures: indirect fracture to bone.

    Science.gov (United States)

    Dougherty, Paul J; Sherman, Don; Dau, Nathan; Bir, Cynthia

    2011-11-01

    Two mechanisms of injury, the temporary cavity and the sonic wave, have been proposed to produce indirect fractures as a projectile passes nearby in tissue. The purpose of this study is to evaluate the temporal relationship of pressure waves using strain gauge technology and high-speed video to elucidate whether the sonic wave, the temporary cavity, or both are responsible for the formation of indirect fractures. Twenty-eight fresh frozen cadaveric diaphyseal tibia (2) and femurs (26) were implanted into ordnance gelatin blocks. Shots were fired using 9- and 5.56-mm bullets traversing through the gelatin only, passing close to the edge of the bone, but not touching, to produce an indirect fracture. High-speed video of the impact event was collected at 20,000 frames/s. Acquisition of the strain data were synchronized with the video at 20,000 Hz. The exact time of fracture was determined by analyzing and comparing the strain gauge output and video. Twenty-eight shots were fired, 2 with 9-mm bullets and 26 with 5.56-mm bullets. Eight indirect fractures that occurred were of a simple (oblique or wedge) pattern. Comparison of the average distance of the projectile from the bone was 9.68 mm (range, 3-20 mm) for fractured specimens and 15.15 mm (range, 7-28 mm) for nonfractured specimens (Student's t test, p = 0.036). In this study, indirect fractures were produced after passage of the projectile. Thus, the temporary cavity, not the sonic wave, was responsible for the indirect fractures.

  16. Influence of two different heat treatment procedures on mechanical and fracture properties of 65 Si 7 steel

    International Nuclear Information System (INIS)

    Pustaic, D.; Cajner, F.

    2001-01-01

    This paper deals with the results of investigations of two different heat treatment procedures and their influence on some mechanical properties as well as on the magnitude of some fracture mechanics parameters for a particular type of steel. The experimental investigations were performed on the specimens made of 65Si7 steel. The processes occurring by tempering of two different microstructures of the steel, i. e. martensite and lower bainite were investigated. An advantage of austempering over hardening and tempering is in obtaining the bainite microstructure. Steel of bainite microstructure has a greater toughness, ductility, contraction, fatigue strength and a better fracture toughness than a tempered martensite of the same type of steel. A bainite microstructure also gives a better resistance to thermal fatigue in comparison with martensite microstructure. The above mentioned improved values of mechanical properties refer to the untempered state of bainite. (author)

  17. Analysis of fracture patterns and local stress field variations in fractured reservoirs

    Science.gov (United States)

    Deckert, Hagen; Drews, Michael; Fremgen, Dominik; Wellmann, J. Florian

    2010-05-01

    A meaningful qualitative evaluation of permeabilities in fractured reservoirs in geothermal or hydrocarbon industry requires the spatial description of the existing discontinuity pattern within the area of interest and an analysis how these fractures might behave under given stress fields. This combined information can then be used for better estimating preferred fluid pathway directions within the reservoir, which is of particular interest for defining potential drilling sites. A description of the spatial fracture pattern mainly includes the orientation of rock discontinuities, spacing relationships between single fractures and their lateral extent. We have examined and quantified fracture patterns in several outcrops of granite at the Costa Brava, Spain, and in the Black Forest, Germany, for describing reservoir characteristics. For our analysis of fracture patterns we have used photogrammetric methods to create high-resolution georeferenced digital 3D images of outcrop walls. The advantage of this approach, compared to conventional methods for fracture analysis, is that it provides a better 3D description of the fracture geometry as the entity of position, extent and orientation of single fractures with respect to their surrounding neighbors is conserved. Hence for instance, the method allows generating fracture density maps, which can be used for a better description of the spatial distribution of discontinuities in a given outcrop. Using photogrammetric techniques also has the advantage to acquire very large data sets providing statistically sound results. To assess whether the recorded discontinuities might act as fluid pathways information on the stress field is needed. A 3D model of the regional tectonic structure was created and the geometry of the faults was put into a mechanical 3D Boundary Element (BE) Model. The model takes into account the elastic material properties of the geological units and the orientation of single fault segments. The

  18. Geometrical and mechanical properties of the fractures and brittle deformation zones based on the ONKALO tunnel mapping, 2400 - 4390 m tunnel chainage

    Energy Technology Data Exchange (ETDEWEB)

    Moenkkoenen, H.; Rantanen, T.; Kuula, H. [WSP Finland Oy, Helsinki (Finland)

    2012-05-15

    In this report, the rock mechanics parameters of fractures and brittle deformation zones have been estimated in the vicinity of the ONKALO area at the Olkiluoto site, western Finland. This report is an extension of the previously published report: Geometrical and Mechanical properties if the fractures and brittle deformation zones based on ONKALO tunnel mapping, 0-2400 m tunnel chainage (Kuula 2010). In this updated report, mapping data are from 2400-4390 m tunnel chainage. Defined rock mechanics parameters of the fractures are associated with the rock engineering classification quality index, Q', which incorporates the RQD, Jn, Jr and Ja values. The friction angle of the fracture surfaces is estimated from the Jr and Ja numbers. There are no new data from laboratory joint shear and normal tests. The fracture wall compressive strength (JCS) data are available from the chainage range 1280-2400 m. Estimation of the mechanics properties of the 24 brittle deformation zones (BDZ) is based on the mapped Q' value, which is transformed to the GSI value in order to estimate strength and deformability properties. A component of the mapped Q' values is from the ONKALO and another component is from the drill cores. In this study, 24 BDZs have been parameterized. The location and size of the brittle deformation are based on the latest interpretation. New data for intact rock strength of the brittle deformation zones are not available. (orig.)

  19. The effect of inferomedial screw on postoperative shoulder function and mechanical alignment in proximal humerus fractures.

    Science.gov (United States)

    Erdoğan, Murat; Desteli, Engin Eren; İmren, Yunus; Üztürk, Ali; Kılıç, Mesut; Sezgin, Hicabi

    2014-10-01

    The aim of the study was to evaluate the clinical and radiologic results of locking plate fixation with or without inferomedial screw (IMS) in surgically treated proximal humerus fractures. Thirty-six patients with displaced proximal humerus fractures from two centers were operated using locking plate. All of the fractures were classified according to the Neer classification. In 18 of the cases, an additional IMS running through the medial curvature of the surgical neck was used. There was no significant difference among both groups in terms of height, gender, weight, and mechanism of injury. The fractures were evaluated according to the radiographic and functional findings during follow-up period of 14 months in average (range 8-32 months). At the end of first year, shoulder radiographs were received and shoulder examinations were performed using ASES scores. Humeral head-shaft angles were measured by true AP projections. Head-shaft angle measurements were categorized as varus if 145. Mean time for fracture healing was 18 weeks. Complete union was achieved in 35 patients by the end of 6 months. In one of the 18 displaced proximal humerus fractures of IMS (+) group, the head-shaft angle was measured to be <125, whereas six patients had varus deviation in IMS (-) group at follow-up (p < 0.05). Mean ASES scores of IMS (+) group and IMS (-) group were 58.21 ± 5.82 and 38.61 ± 3.44, respectively (p < 0.001). Use of inferomedial screw running through the medial curvature of surgical neck prevents varus deformity and improves functional outcome after surgical treatment for proximal humerus fractures.

  20. Stability-based classification for ankle fracture management and the syndesmosis injury in ankle fractures due to a supination external rotation mechanism of injury.

    Science.gov (United States)

    Pakarinen, Harri

    2012-12-01

    sensitivity and specificity of both clinical tests were calculated using the standard 7.5-Nm external rotation stress test as reference. Outcome was assessed after a minimum of one year of follow-up. Olerud-Molander (OM) scoring system, RAND 36-Item Health Survey, and VAS to measure pain and function were used as outcome measures in all studies. In study 1, 85 (53%) fractures were treated operatively using the stability based fracture classification. Non-operatively treated patients reported less pain and better OM (good or excellent 89% vs. 71%) and VAS functional scores compared to operatively treated patients although they experienced more displacement of the distal fibula (0 mm 30% vs. 69%; 0-2 mm 65% vs. 25%) after treatment. No non-operatively treated patients required operative fracture fixation during follow-up. In study 2, AITFL exploration and suture lead to equal functional outcome (OM mean, 77 vs. 73) to no exploration or fixation. In study 3, the hook test had a sensitivity of 0.25 and a specificity of 0.98. The external rotation stress test had a sensitivity of 0.58 and a specificity of 0.9. Both tests had excellent interobserver reliability; the agreement was 99% for the hook test and 98% for the stress test. There was no statistically significant difference in functional scores (OM mean, 79.6 vs. 83.6) or pain between syndesmosis transfixation and no fixation groups (Study 4). Our results suggest that a simple stability-based fracture classification is useful in choosing between non-operative and operative treatment of ankle fractures; approximately half of the ankle fractures can be treated non-operatively with success. Our observations also suggest that relevant syndesmosis injuries are rare in ankle fractures due to an SER mechanism of injury. According to our research, syndesmotic repair or fixation in SER ankle fracture has no influence on functional outcome or pain after minimum one year compared with no fixation.

  1. The Fracture Mechanical Markov Chain Fatigue Model Compared with Empirical Data

    DEFF Research Database (Denmark)

    Gansted, L.; Brincker, Rune; Hansen, Lars Pilegaard

    The applicability of the FMF-model (Fracture Mechanical Markov Chain Fatigue Model) introduced in Gansted, L., R. Brincker and L. Pilegaard Hansen (1991) is tested by simulations and compared with empirical data. Two sets of data have been used, the Virkler data (aluminium alloy) and data...... established at the Laboratory of Structural Engineering at Aalborg University, the AUC-data, (mild steel). The model, which is based on the assumption, that the crack propagation process can be described by a discrete Space Markov theory, is applicable to constant as well as random loading. It is shown...

  2. Applications and limits of application of fracture mechanics methods in assessing the safety of components

    International Nuclear Information System (INIS)

    Stahlberg, R.

    1977-01-01

    On the basis of fracture mechanics calculations and experimental investigations, it is shown how cracks of different shape and location behave under given static and cyclic loads. In particular, component safety with regard to spontaneous failure and crack growth behaviour in different components are discussed. [de

  3. Thermo-hydro-mechanical modelling of fractured rock masses application to radioactive wastes storage

    International Nuclear Information System (INIS)

    Vuillod, E.

    1995-01-01

    This work belongs to the Decovalex project (international cooperative project for the development of coupled models and their validation against experiments in nuclear waste isolation) of thermo-hydro-mechanical (THM) modeling of fractured rock massifs inside which high level radioactive waste disposal sites are simulated. The mathematical laws controlling the behaviour of the environment are resolved analytically in the case of a continuous environment (definition of an equivalent environment) and numerically if the environment is discontinuous (modeling of joints behaviour). The coupled THM models strongly influence the behaviour of a model. Modeling performed with the UDEC code shows the importance of HM couplings depending on whether the calculations are made in permanent or transient regime, and the influence of the loading path in the case of TM modeling. The geometry of fractures also influences the behaviour of the model. Studying the connexity of a fractures network allows to determine its degree of homogeneity. The comparison between two methods, continuous environment and discontinuous environment, has been carried out by determining the permeability tensor and the stress-deformation relations on fractured test-samples. It shows the differences in behaviour between an homogenized environment and a discrete environment. Finally two exercises of THM modeling of radioactive waste disposal sites illustrate the researches carried out. A far field model has permitted to compare the results obtained with calculation codes using different logics. The second model, a near field one, focusses more on the importance played by fracturing on the behaviour of the massif. The high density of the reference network has required some mathematical developments, in order to determine the representative equivalent volume (continuous approaches), and some mathematical analyses, to correctly simplify the environment (discontinuous approaches). These methods and analyses are

  4. Fracture and Fatigue: Some New Insights

    Indian Academy of Sciences (India)

    It is over nine decades since fracture mechanics found its importance in the design of mechanical, aerospace and civil engineering structures. Its application started in naval structures during the early part of 20th century. The theory of fracture mechanics was initially found ideal to explain the failure of brittle materials like ...

  5. A general mixed mode fracture mechanics test specimen: The DCB-specimen loaded with uneven bending moments

    Energy Technology Data Exchange (ETDEWEB)

    Soerensen, B.F.; Joergensen, K.; Oestergaard, R.C. [Risoe National Lab., Materials Dept., Roskilde (Denmark); Jacobsen, T.K. [LM Glasfiber A/S, Lunderskov (Denmark)

    2004-03-01

    A mixed mode specimen is proposed for fracture mechanics characterisation of adhesive joints, laminates and multilayers. The specimen is a double cantilever beam specimen loaded with uneven bending moments at the two free beams. By varying the ratio between the two applied moments, the full mode mixity range from pure mode I to pure mode II can be generated for the same specimen geometry. The specimen allows stable crack growth. In case of large scale crack bridging, mixed mode cohesive laws can be obtained by a J integral based approach. As a preliminary example, fracture of adhesive joints between two glass-fibre laminates was studied. The mixed mode fracture resistance increased with increasing crack length due to fibre cross over bridging, eventually reaching a steady-state level (R-curve behaviour). The steady-state fracture toughness level increased with increasing tangential crack opening displacement. Cohesive stresses were determined by a J integral approach. The deducted shear stress was found to be relative high ({approx} = 20 MPa) in comparison with the normal stress ({approx} = 1 MPa). (au)

  6. The application of fracture mechanics to the safety assessment of transport casks for radioactive materials

    International Nuclear Information System (INIS)

    Zencker, U.; Mueller, K.; Droste, B.; Roedel, R.; Voelzke, H.

    2004-01-01

    BAM is the German responsible authority for the mechanical and thermal design safety assessment of packages for the transport of radioactive materials. The assessment has to cover the brittle fracture safety proof of package components made of potentially brittle materials. This paper gives a survey of the regulatory and technical requirements for such an assessment according to BAM's new ''Guidelines for the Application of Ductile Cast Iron for Transport and Storage Casks for Radioactive Materials''. Based on these guidelines higher stresses than before can become permissible, but it is necessary to put more effort into the safety assessment procedure. The fundamentals of such a proof with the help of the methods of fracture mechanics are presented. The recommended procedure takes into account the guidelines of the IAEA Advisory Material which are based on the prevention of crack initiation. Examples of BAM's research and safety assessment practices are given. Recommendations for further developments towards package designs with higher acceptable stress levels will be concluded

  7. The application of fracture mechanics to the safety assessment of transport casks for radioactive material

    International Nuclear Information System (INIS)

    Zencker, U.; Mueller, K.; Droste, B.; Roedel, R.; Voelzke, H.

    2004-01-01

    BAM is the responsible authority in Germany for the assessment of the mechanical and thermal design safety of packages for the transport of radioactive materials. The assessment has to cover the brittle fracture safety 'proof of package' for components made of potentially brittle materials. This paper gives a survey of the regulatory and technical requirements for such an assessment according to BAM's new 'Guidelines for the application of ductile cast iron for transport and storage casks for radioactive materials'. Based on these guidelines, higher stresses than before will be permissible, but it is necessary to put more effort into the safety assessment procedure. The fundamentals of such a proof using the methods of fracture mechanics are presented. The recommended procedure takes into account the guidelines of the IAEA's advisory material which are based on the prevention of crack initiation. Examples of BAM's research and safety assessment practices are given. Recommendations for further developments towards package designs with higher acceptable stress levels will conclude the paper. (author)

  8. Hybrid Quantum Mechanics/Molecular Mechanics/Coarse Grained Modeling: A Triple-Resolution Approach for Biomolecular Systems.

    Science.gov (United States)

    Sokkar, Pandian; Boulanger, Eliot; Thiel, Walter; Sanchez-Garcia, Elsa

    2015-04-14

    We present a hybrid quantum mechanics/molecular mechanics/coarse-grained (QM/MM/CG) multiresolution approach for solvated biomolecular systems. The chemically important active-site region is treated at the QM level. The biomolecular environment is described by an atomistic MM force field, and the solvent is modeled with the CG Martini force field using standard or polarizable (pol-CG) water. Interactions within the QM, MM, and CG regions, and between the QM and MM regions, are treated in the usual manner, whereas the CG-MM and CG-QM interactions are evaluated using the virtual sites approach. The accuracy and efficiency of our implementation is tested for two enzymes, chorismate mutase (CM) and p-hydroxybenzoate hydroxylase (PHBH). In CM, the QM/MM/CG potential energy scans along the reaction coordinate yield reaction energies that are too large, both for the standard and polarizable Martini CG water models, which can be attributed to adverse effects of using large CG water beads. The inclusion of an atomistic MM water layer (10 Å for uncharged CG water and 5 Å for polarizable CG water) around the QM region improves the energy profiles compared to the reference QM/MM calculations. In analogous QM/MM/CG calculations on PHBH, the use of the pol-CG description for the outer water does not affect the stabilization of the highly charged FADHOOH-pOHB transition state compared to the fully atomistic QM/MM calculations. Detailed performance analysis in a glycine-water model system indicates that computation times for QM energy and gradient evaluations at the density functional level are typically reduced by 40-70% for QM/MM/CG relative to fully atomistic QM/MM calculations.

  9. A rare type of ankle fracture: Syndesmotic rupture combined with a high fibular fracture without medial injury.

    Science.gov (United States)

    van Wessem, K J P; Leenen, L P H

    2016-03-01

    High fibular spiral fractures are usually caused by pronation-external rotation mechanism. The foot is in pronation and the talus externally rotates, causing a rupture of the medial ligaments or a fracture of the medial malleolus. With continued rotation the anterior and posterior tibiofibular ligament will rupture, and finally, the energy leaves the fibula by creating a spiral fracture from anterior superior to posterior inferior. In this article we demonstrate a type of ankle fracture with syndesmotic injury and high fibular spiral fractures without a medial component. This type of ankle fractures cannot be explained by the Lauge-Hansen classification, since it lacks injury on the medial side of the ankle, but it does have the fibular fracture pattern matching the pronation external rotation injury (anterior superior to posterior inferior fracture). We investigated the mechanism of this injury illustrated by 3 cases and postulate a theory explaining the biomechanics behind this type of injury. Copyright © 2016 Elsevier Ltd. All rights reserved.

  10. The Paradox of Migration and the Interests of the Atomistic Nation ...

    African Journals Online (AJOL)

    The Paradox of Migration and the Interests of the Atomistic Nation- States: The Southern ... Internationally as well as regionally, States are concerned with issues of ... within the nationstates in general, and in their labour markets in particular.

  11. The elasto plastic fracture mechanics in ductile metal sheets

    International Nuclear Information System (INIS)

    Khan, M.A.; Malik, M.N.; Naeem, A.; Haq, A.U.; Atkins, A.G.

    1999-01-01

    The crack initiation of propagation in ductile metal sheets are caused by various micro and macro changes taking place due to material properties, applied loads, shape of the indenter (tool geometry) and the environmental conditions. These microstructural failures are directly related to the atomic bonding, crystal lattices, grain boundary status, material flaws in matrix, inhomogeneities and anisotropy in the metal sheets. The Elasto-Plastic related energy based equations are applied to these Rigid Plastic materials to determine the onset of fracture in metal forming. The combined stress and strain criterion of a critical plastic work per unit volume is no more considered as a universal ductile fracture criterion, rather a critical plastic work per unit volume dependence on all sort of stresses (hydrostatic) are the required features for the sheet metal failure (fracture). In this present study, crack initiation and propagation are related empirically with fracture toughness and the application of the theory in industry to save energy. (author)

  12. Atomistic nucleation sites of Pt nanoparticles on N-doped carbon nanotubes.

    Science.gov (United States)

    Sun, Chia-Liang; Pao, Chih-Wen; Tsai, Huang-Ming; Chiou, Jau-Wern; Ray, Sekhar C; Wang, Houng-Wei; Hayashi, Michitoshi; Chen, Li-Chyong; Lin, Hong-Ji; Lee, Jyh-Fu; Chang, Li; Tsai, Min-Hsiung; Chen, Kuei-Hsien; Pong, Way-Faung

    2013-08-07

    The atomistic nucleation sites of Pt nanoparticles (Pt NPs) on N-doped carbon nanotubes (N-CNTs) were investigated using C and N K-edge and Pt L3-edge X-ray absorption near-edge structure (XANES)/extended X-ray absorption fine structure (EXAFS) spectroscopy. Transmission electron microscopy and XANES/EXAFS results revealed that the self-organized Pt NPs on N-CNTs are uniformly distributed because of the relatively high binding energies of the adsorbed Pt atoms at the imperfect sites. During the atomistic nucleation process of Pt NPs on N-CNTs, stable Pt-C and Pt-N bonds are presumably formed, and charge transfer occurs at the surface/interface of the N-CNTs. The findings in this study were consistent with density functional theory calculations performed using cluster models for the undoped, substitutional-N-doped and pyridine-like-N-doped CNTs.

  13. Testing smooth and notched samples for identification of brittle material fracture mechanism

    International Nuclear Information System (INIS)

    Barinov, S.M.; Ivanov, V.S.

    1987-01-01

    Mechanical tests of cermet made of LaCrO 3 and Cr powder mixture in 3:2 mass ratio were conducted in LaCrO 3 -Cr system. Powder mixtures were exposed to static pressing and sintering (sintered cermets) or to high-speed pressing with following thermal treatment (high-speed pressing cermets). It is shown, that nonlinear deformation strength at deformation of brittle material smooth and notched samples allows to evaluate properly correlation of microplasticity and microcracking at brittle powder materials fracture

  14. Micro-mechanical analysis and modelling of the behavior and brittle fracture of a french 16MND5 steel: role of microstructural heterogeneities

    International Nuclear Information System (INIS)

    Mathieu, J.Ph.

    2006-10-01

    Reactor Pressure Vessel is the second containment barrier between nuclear fuel and the environment. Electricite de France's reactors are made with french 16MND5 low-alloyed steel (equ. ASTM A508 Cl.3). Various experimental techniques (scanning electron microscopy, X-ray diffraction...) are set up in order to characterize mechanical heterogeneities inside material microstructure during tensile testing at different low temperatures [-150 C;-60 C]. Heterogeneities can be seen as the effect of both 'polycrystalline' and 'composite' microstructural features. Interphase (until 150 MPa in average between ferritic and bainitic macroscopic stress state) and intra-phase (until 100 MPa in average between ferritic orientations) stress variations are highlighted. Modelling involves micro-mechanical description of plastic glide, mean fields models and realistic three-dimensional aggregates, all put together inside a multi-scale approach. Calibration is done on macroscopic stress-strain curves at different low temperatures, and modelling reproduces experimental stress heterogeneities. This modelling allows to apply a local micro-mechanical fracture criterion for crystallographic cleavage. Deterministic computations of time to fracture for different carbides random selection provide a way to express probability of fracture for the elementary volume. Results are in good agreement with hypothesis made by local approach to fracture. Hence, the main difference is that no dependence to loading nor microstructure features is supposed for probability of fracture on the representative volume: this dependence is naturally introduced by modelling. (author)

  15. A novel Lagrangian approach for the stable numerical simulation of fault and fracture mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Franceschini, Andrea; Ferronato, Massimiliano, E-mail: massimiliano.ferronato@unipd.it; Janna, Carlo; Teatini, Pietro

    2016-06-01

    The simulation of the mechanics of geological faults and fractures is of paramount importance in several applications, such as ensuring the safety of the underground storage of wastes and hydrocarbons or predicting the possible seismicity triggered by the production and injection of subsurface fluids. However, the stable numerical modeling of ground ruptures is still an open issue. The present work introduces a novel formulation based on the use of the Lagrange multipliers to prescribe the constraints on the contact surfaces. The variational formulation is modified in order to take into account the frictional work along the activated fault portion according to the principle of maximum plastic dissipation. The numerical model, developed in the framework of the Finite Element method, provides stable solutions with a fast convergence of the non-linear problem. The stabilizing properties of the proposed model are emphasized with the aid of a realistic numerical example dealing with the generation of ground fractures due to groundwater withdrawal in arid regions. - Highlights: • A numerical model is developed for the simulation of fault and fracture mechanics. • The model is implemented in the framework of the Finite Element method and with the aid of Lagrange multipliers. • The proposed formulation introduces a new contribution due to the frictional work on the portion of activated fault. • The resulting algorithm is highly non-linear as the portion of activated fault is itself unknown. • The numerical solution is validated against analytical results and proves to be stable also in realistic applications.

  16. A novel Lagrangian approach for the stable numerical simulation of fault and fracture mechanics

    International Nuclear Information System (INIS)

    Franceschini, Andrea; Ferronato, Massimiliano; Janna, Carlo; Teatini, Pietro

    2016-01-01

    The simulation of the mechanics of geological faults and fractures is of paramount importance in several applications, such as ensuring the safety of the underground storage of wastes and hydrocarbons or predicting the possible seismicity triggered by the production and injection of subsurface fluids. However, the stable numerical modeling of ground ruptures is still an open issue. The present work introduces a novel formulation based on the use of the Lagrange multipliers to prescribe the constraints on the contact surfaces. The variational formulation is modified in order to take into account the frictional work along the activated fault portion according to the principle of maximum plastic dissipation. The numerical model, developed in the framework of the Finite Element method, provides stable solutions with a fast convergence of the non-linear problem. The stabilizing properties of the proposed model are emphasized with the aid of a realistic numerical example dealing with the generation of ground fractures due to groundwater withdrawal in arid regions. - Highlights: • A numerical model is developed for the simulation of fault and fracture mechanics. • The model is implemented in the framework of the Finite Element method and with the aid of Lagrange multipliers. • The proposed formulation introduces a new contribution due to the frictional work on the portion of activated fault. • The resulting algorithm is highly non-linear as the portion of activated fault is itself unknown. • The numerical solution is validated against analytical results and proves to be stable also in realistic applications.

  17. Computer code for the atomistic simulation of lattice defects and dynamics. [COMENT code

    Energy Technology Data Exchange (ETDEWEB)

    Schiffgens, J.O.; Graves, N.J.; Oster, C.A.

    1980-04-01

    This document has been prepared to satisfy the need for a detailed, up-to-date description of a computer code that can be used to simulate phenomena on an atomistic level. COMENT was written in FORTRAN IV and COMPASS (CDC assembly language) to solve the classical equations of motion for a large number of atoms interacting according to a given force law, and to perform the desired ancillary analysis of the resulting data. COMENT is a dual-purpose intended to describe static defect configurations as well as the detailed motion of atoms in a crystal lattice. It can be used to simulate the effect of temperature, impurities, and pre-existing defects on radiation-induced defect production mechanisms, defect migration, and defect stability.

  18. High-temperature mechanical properties and fracture mechanisms of Al–Si piston alloy reinforced with in situ TiB{sub 2} particles

    Energy Technology Data Exchange (ETDEWEB)

    Han, Gang [School of Mechanical Engineering, Beijing Institute of Technology, 5 South Zhongguancun Street, Haidian District, Beijing 100081 (China); Zhang, Weizheng, E-mail: zhangwz@bit.edu.cn [School of Mechanical Engineering, Beijing Institute of Technology, 5 South Zhongguancun Street, Haidian District, Beijing 100081 (China); Zhang, Guohua; Feng, Zengjian; Wang, Yanjun [Shandong Binzhou Bohai Piston Co., Ltd., Binzhou 256602 (China)

    2015-05-01

    In order to assess the high-temperature performance of aluminum–silicon alloy reinforced with titanium diboride particles as potential piston material, the tensile behaviors and fracture mechanisms of in situ 4 wt% TiB{sub 2}/Al–Si composite were investigated in the temperature range 25–350 °C. The tensile results revealed that the composite exhibited higher modulus than the matrix alloy at all testing temperatures, but both the matrix alloy and the composite presented similar strength levels above 200 °C. The ductility of the composite was found to be lower than that of the unreinforced matrix alloy at 25 and 200 °C, but no obvious distinction was observed at 350 °C. The effects of temperature and the presence of TiB{sub 2} particles on tensile properties of the composite had been evaluated. Fractographic morphology studies were done using scanning electron microscope, which indicated that the fracture of the composite altered from brittle to ductile mode with temperature increasing. At 25 and 200 °C, fracture was dominated by cracked silicon particles and separated TiB{sub 2} particles, while decohesion at particle–matrix interface was prevalent at 350 °C. Analysis of the fracture surfaces also showed that regions of clustered TiB{sub 2} particles were found to be the locations prone to damage in the composite at both room and high temperatures.

  19. Dynamic Mechanical Properties and Fracture Surface Morphologies of Core-Shell Rubber (CSR) Toughened Epoxy at Liquid Nitrogen (Ln2) Temperatures

    Science.gov (United States)

    Wang, J.; Magee, D.; Schneider, J. A.

    2009-01-01

    The dynamic mechanical properties and fracture surface morphologies were evaluated for a commercial epoxy resin toughened with two types of core-shell rubber (CSR) toughening agents (Kane Ace(Registered TradeMark) MX130 and MX960). The impact resistance (R) was evaluated by the resulting breaking energy measured in Charpy impact tests conducted on an instrumented drop tower. The resulting fracture surface morphologies were examined using Scanning Electron Microscopy (SEM). Fractographic observations of the CSR toughened epoxy tested at ambient temperature, showed a fracture as characterized by slender dendrite textures with large voids. The increasing number of dendrites and decreasing size of scale-like texture with more CSR particles corresponded with increased R. As the temperature decreased to Liquid Nitrogen (LN 2), the fracture surfaces showed a fracture characterized by a rough, torn texture containing many river markings and deep furrows.

  20. Atomistic simulations of surfactant adsorption kinetics at interfaces

    Science.gov (United States)

    Iskrenova, Eugeniya; Patnaik, Soumya

    2014-03-01

    Heat transfer control and enhancement is an important and challenging problem in a variety of industrial and technological applications including aircraft thermal management. The role of additives in nucleate boiling and phase change in general has long been recognized and studied experimentally and modeled theoretically but in-depth description and atomistic understanding of the multiscale processes involved are still needed for better prediction and control of the heat transfer efficiency. Surfactant additives have been experimentally observed to either enhance or inhibit the boiling heat transfer depending on the surfactant concentration and chemistry and, on a molecular level, their addition leads to dynamic surface tension and changes in interfacial and transfer properties, thus contributing to the complexity of the problem. We present our atomistic modeling study of the interfacial adsorption kinetics of aqueous surfactant (sodium dodecyl sulfate) systems at a range of concentrations at room and boiling temperatures. Classical molecular dynamics and Umbrella Sampling simulations were used to study the surfactant transport properties and estimate the adsorption and desorption rates at liquid-vacuum and liquid-solid interfaces. The authors gratefully acknowledge funding from AFOSR Thermal Science Program and the Air Force Research Laboratory DoD Supercomputing Resource Center for computing time and resources.