Sample records for atomistic fracture mechanics

  1. Atomistic simulations of fracture

    Energy Technology Data Exchange (ETDEWEB)

    Farkas, D. [Virginia Polytechnic Inst. and State Univ., Blacksburg, VA (United States). Dept. of Materials Science and Engineering


    Embedded atom interaction potentials are used to simulate the atomistic aspects of the fracture process. Simulations are presented for the behavior of cracks in pure metals and intermetallics, near the Griffith condition. The materials considered include Fe, Cu, Ni as well as Fe, Ni, Co, and Ti aluminides. The work focuses on the comparative study of fracture behavior in the different materials. The role of the atomic relaxation at the crack tip and of lattice trapping phenomena is analyzed.

  2. Atomistic Simulations of Nanotube Fracture

    CERN Document Server

    Belytschko, T; Schatz, G; Ruoff, R S


    The fracture of carbon nanotubes is studied by atomistic simulations. The fracture behavior is found to be almost independent of the separation energy and to depend primarily on the inflection point in the interatomic potential. The rangle of fracture strians compares well with experimental results, but predicted range of fracture stresses is marketly higher than observed. Various plausible small-scale defects do not suffice to bring the failure stresses into agreement with available experimental results. As in the experiments, the fracture of carbon nanotubes is predicted to be brittle. The results show moderate dependence of fracture strength on chirality.

  3. Atomistic study on mixed-mode fracture mechanisms of ferrite iron interacting with coherent copper and nickel nanoclusters (United States)

    Al-Motasem, Ahmed Tamer; Mai, Nghia Trong; Choi, Seung Tae; Posselt, Matthias


    The effect of copper and/or nickel nanoclusters, generally formed by neutron irradiation, on fracture mechanisms of ferrite iron was investigated by using molecular statics simulation. The equilibrium configuration of nanoclusters was obtained by using a combination of an on-lattice annealing based on Metropolis Monte Carlo method and an off-lattice relaxation by molecular dynamics simulation. Residual stress distributions near the nanoclusters were also calculated, since compressive or tensile residual stresses may retard or accelerate, respectively, the propagation of a crack running into a nanocluster. One of the nanoclusters was located in front of a straight crack in ferrite iron with a body-centered cubic crystal structure. Two crystallographic directions, of which the crack plane and crack front direction are (010)[001] and (111) [ 1 bar 10 ] , were considered, representing cleavage and non-cleavage orientations in ferrite iron, respectively. Displacements corresponding to pure opening-mode and mixed-mode loadings were imposed on the boundary region and the energy minimization was performed. It was observed that the fracture mechanisms of ferrite iron under the pure opening-mode loading are strongly influenced by the presence of nanoclusters, while under the mixed-mode loading the nanoclusters have no significant effect on the crack propagation behavior of ferrite iron.

  4. Mechanisms of intergranular fracture

    Energy Technology Data Exchange (ETDEWEB)

    Farkas, D. [Virginia Polytechnic Inst. and State Univ., Blacksburg, VA (United States). Dept. of Materials Science and Engineering


    The authors present a study of the atomistic mechanisms of crack propagation along grain boundaries in metals and alloys. The failure behavior showing cleavage crack growth and/or crack-tip dislocation emission is demonstrated using atomistic simulations for an embedded-atom model. The simulations follow the quasi-equilibrium growth of a crack as the stress intensity applied increases. Dislocations emitted from crack tips normally blunt the crack and inhibit cleavage, inducing ductile behavior. When the emitted dislocations stay near the crack tip (sessile dislocations), they do blunt the crack but brittle cleavage can occur after the emission of a sufficient number of dislocations. The fracture process occurs as a combination of dislocation emission/micro-cleavage portions that are controlled by the local atomistic structure of the grain boundary. The grain boundary is shown to be a region where dislocation emission is easier, a mechanism that competes with the lower cohesive strength of the boundary region.

  5. Fracture Mechanics

    CERN Document Server

    Zehnder, Alan T


    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...

  6. Fracture mechanics

    CERN Document Server

    Perez, Nestor


    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...

  7. Fracture mechanics (United States)

    Shannon, John L., Jr.


    The application of fracture mechanics to the design of ceramic structures will require the precise measurement of crack growth and fracture resistance of these materials over their entire range of anticipated service temperatures and standardized test methods for making such measurements. The development of a standard test for measuring the plane strain fracture toughness is sought. Stress intensity factor coefficients were determined for three varieties of chevron-notch specimens, and fracture toughness measurements were made on silicon nitrides, silicon carbides, and aluminum oxides to assess the performance of each specimen variety. It was determined that silicon nitride and silicon carbides have flat crack growth resistance curves, but aluminum oxide does not. Additionally, batch-to-batch differences were noticed for the aluminum oxide. Experiments are continuing to explain the rising crack growth resistance and batch-to-batch variations for the aluminum oxide.

  8. Multiscale Modeling of Grain-Boundary Fracture: Cohesive Zone Models Parameterized From Atomistic Simulations (United States)

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


    A multiscale modeling strategy is developed to study grain boundary fracture in polycrystalline aluminum. Atomistic simulation is used to model fundamental nanoscale deformation and fracture mechanisms and to develop a constitutive relationship for separation along a grain boundary interface. The nanoscale constitutive relationship is then parameterized within a cohesive zone model to represent variations in grain boundary properties. These variations arise from the presence of vacancies, intersticies, and other defects in addition to deviations in grain boundary angle from the baseline configuration considered in the molecular dynamics simulation. The parameterized cohesive zone models are then used to model grain boundaries within finite element analyses of aluminum polycrystals.

  9. Atomistic deformation mechanisms in twinned copper nanospheres. (United States)

    Bian, Jianjun; Niu, Xinrui; Zhang, Hao; Wang, Gangfeng


    In the present study, we perform molecular dynamic simulations to investigate the compression response and atomistic deformation mechanisms of twinned nanospheres. The relationship between load and compression depth is calculated for various twin spacing and loading directions. Then, the overall elastic properties and the underlying plastic deformation mechanisms are illuminated. Twin boundaries (TBs) act as obstacles to dislocation motion and lead to strengthening. As the loading direction varies, the plastic deformation transfers from dislocations intersecting with TBs, slipping parallel to TBs, and then to being restrained by TBs. The strengthening of TBs depends strongly on the twin spacing.

  10. Atomistic Mechanisms of Fatigue in Nanocrystalline Metals (United States)

    Farkas, D.; Willemann, M.; Hyde, B.


    We investigate the mechanisms of fatigue behavior in nanocrystalline metals at the atomic scale using empirical force laws and molecular level simulations. A combination of molecular statics and molecular dynamics was used to deal with the time scale limitations of molecular dynamics. We show that the main atomistic mechanism of fatigue crack propagation in these materials is the formation of nanovoids ahead of the main crack. The results obtained for crack advance as a function of stress intensity amplitude are consistent with experimental studies and a Paris law exponent of about 2.

  11. Fracture mechanics of protein materials

    Directory of Open Access Journals (Sweden)

    Markus J. Buehler


    Full Text Available Proteins are the fundamental building blocks of a vast array of biological materials involved in critical functions of life, many of which are based on highly characteristic nanostructured arrangements of protein components that include collagen, alpha helices, or beta sheets. Bone, providing structure to our body, or spider silk, used for prey procurement, are examples of materials that have incredible elasticity, strength, and robustness unmatched by many synthetic materials. This is mainly attributed to their structural formation with molecular precision. We review recent advances in using large-scale atomistic and molecular modeling to elucidate the deformation and fracture mechanics of vimentin intermediate filaments (IFs, which are hierarchical self-assembled protein networks that provide structure and stability to eukaryotic cells. We compare the fracture and failure mechanisms of biological protein materials (BPMs with those observed in brittle and ductile crystalline materials such as metals or ceramics. Our studies illustrate how atomistic-based multiscale modeling can be employed to provide a first principles based material description of deformation and fracture, linking nano- to macroscales.

  12. Origin of unrealistic blunting during atomistic fracture simulations based on MEAM potentials (United States)

    Ko, Won-Seok; Lee, Byeong-Joo


    Atomistic simulations based on interatomic potentials have frequently failed to correctly reproduce the brittle fracture of materials, showing an unrealistic blunting. We analyse the origin of the unrealistic blunting during atomistic simulations by modified embedded-atom method (MEAM) potentials for experimentally well-known brittle materials such as bcc tungsten and diamond silicon. The radial cut-off which has been thought to give no influence on MEAM calculations is found to have a decisive effect on the crack propagation behaviour. Extending both cut-off distance and truncation range can prevent the unrealistic blunting, reproducing many well-known fracture behaviour which have been difficult to reproduce. The result provides a guideline for future atomistic simulations that focus on various fracture-related phenomena including the failure of metallic-covalent bonding material systems using MEAM potentials.

  13. Atomistic study of hydrogen embrittlement of grain boundaries in nickel: I. Fracture (United States)

    Tehranchi, A.; Curtin, W. A.

    Hydrogen ingress into a metal is a persistent source of embrittlement. Fracture surfaces are often intergranular, suggesting favorable cleave crack growth along grain boundaries (GBs) as one driver for embrittlement. Here, atomistic simulations are used to investigate the effects of segregated hydrogen on the behavior of cracks along various symmetric tilt grain boundaries in fcc Nickel. An atomistic potential for Ni-H is first recalibrated against new quantum level computations of the energy of H in specific sites within the NiΣ5(120)⟨100⟩ GB. The binding energy of H atoms to various atomic sites in the NiΣ3(111) (twin), NiΣ5(120)⟨100⟩, NiΣ99(557)⟨110⟩, and NiΣ9(221)⟨110⟩ GBs, and to various surfaces created by separating these GBs into two possible fracture surfaces, are computed and used to determine equilibrium H concentrations at bulk H concentrations typical of embrittlement in Ni. Mode I fracture behavior is then studied, examining the influence of H in altering the competition between dislocation emission (crack blunting; "ductile" behavior) and cleavage fracture ("brittle" behavior) for intergranular cracks. Simulation results are compared with theoretical predictions (Griffith theory for cleavage; Rice theory for emission) using the computed surface energies. The deformation behavior at the GBs is, however, generally complex and not as simple as cleavage or emission at a sharp crack tip, which is not unexpected due to the complexity of the GB structures. In cases predicted to emit dislocations from the crack tip, the presence of H atoms reduces the critical load for emission of the dislocations and no cleavage is found. In the cases predicted to cleave, the presence of H atoms reduces the cleavage stress intensity and makes cleavage easier, including NiΣ9(221)⟨110⟩ which emits dislocations in the absence of H. Aside from the one unusual NiΣ9(221)⟨110⟩ case, no tendency is found for H to cause a ductile

  14. Dislocation pinning effects on fracture behavior: Atomistic and dislocation dynamics simulations (United States)

    Noronha, S. J.; Farkas, D.


    We introduce an approach in which results from atomistic simulations are combined with discrete dislocation dynamics simulations of crack-tip plasticity. The method is used to study the effects of dislocation pinning due to grain boundaries or secondary particles on the fracture behavior of aluminum. We find that the fracture resistance is reduced with decreasing pinning distance. The results show that the pinning of the dislocations causes a net decrease in the shear stress projected on the slip plane, preventing further dislocation emission. Semibrittle cleavage occurs after a certain number of dislocations is emitted.

  15. Fracture mechanics safety approaches

    Energy Technology Data Exchange (ETDEWEB)

    Roos, E.; Schuler, X.; Eisele, U. [Materials Testing Inst. (MPA), Univ. of Stuttgart (Germany)


    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.)

  16. 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...

  17. Fracture Criterion for Fracture Mechanics of Magnets

    Institute of Scientific and Technical Information of China (English)

    潘灏; 杨文涛


    The applicability and limitation of some fracture criteria in the fracture mechanics of magnets are studied.It is shown that the magnetic field intensity factor can be used as a fracture criterion when the crack in a magnet is only affected by a magnetic field. For some magnetostrictive materials in which the components of magnetostriction strain do not satisfy the compatibility equation of deformation, the stress intensity factor can no longer be effectively applicable as a fracture criterion when the crack in a magnet is affected by a magnetic field and mechanical loads simultaneously.

  18. Phase Field Fracture Mechanics.

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    Robertson, Brett Anthony [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)


    For this assignment, a newer technique of fracture mechanics using a phase field approach, will be examined and compared with experimental data for a bend test and a tension test. The software being used is Sierra Solid Mechanics, an implicit/explicit finite element code developed at Sandia National Labs in Albuquerque, New Mexico. The bend test experimental data was also obtained at Sandia Labs while the tension test data was found in a report online from Purdue University.

  19. Atomistic Mechanisms for Viscoelastic Damping in Inorganic Solids (United States)

    Ranganathan, Raghavan

    Viscoelasticity, a ubiquitous material property, can be tuned to engineer a wide range of fascinating applications such as mechanical dampers, artificial tissues, functional foams and optoelectronics, among others. Traditionally, soft matter such as polymers and polymer composites have been used extensively for viscoelastic damping applications, owing to the inherent viscous nature of interactions between polymer chains. Although this leads to good damping characteristics, the stiffness in these materials is low, which in turn leads to limitations. In this context, hard inorganic materials and composites are promising candidates for enhanced damping, owing to their large stiffness and, in some cases large loss modulus. Viscoelasticity in these materials has been relatively unexplored and atomistic mechanisms responsible for damping are not apparent. Therefore, the overarching goal of this work is to understand mechanisms for viscoelastic damping in various classes of inorganic composites and alloys at an atomistic level from molecular dynamics simulations. We show that oscillatory shear deformation serves as a powerful probe to explain mechanisms for exceptional damping in hitherto unexplored systems. The first class of inorganic materials consists of crystalline phases of a stiff inclusion in a soft matrix. The two crystals within the composite, namely the soft and a stiff phase, individually show a highly elastic behavior and a very small loss modulus. On the other hand, a composite with the two phases is seen to exhibit damping that is about 20 times larger than predicted theoretical bounds. The primary reason for the damping is due to large anharmonicity in phonon-phonon coupling, resulting from the composite microstructure. A concomitant effect is the distribution of shear strain, which is observed to be highly inhomogeneous and mostly concentrated in the soft phase. Interestingly, the shear frequency at which the damping is greatest is observed to scale with

  20. Dynamic fracture mechanics (United States)

    Kobayashi, A. S.; Ramulu, M.


    Dynamic fracture and crack propagation concepts for ductile materials are reviewed. The equations for calculating dynamic stress integrity and the dynamic energy release rate in order to study dynamic crack propagation are provided. The stress intensity factor versus crack velocity relation is investigated. The uses of optical experimental techniques and finite element methods for fracture analyses are described. The fracture criteria for a rapidly propagating crack under mixed mode conditions are discussed; crack extension and fracture criteria under combined tension and shear loading are based on maximum circumferential stress or energy criteria such as strain energy density. The development and use of a Dugdale model and finite element models to represent crack and fracture dynamics are examined.

  1. Collaborative Simulation Grid: Multiscale Quantum-Mechanical/Classical Atomistic Simulations on Distributed PC Clusters in the US and Japan (United States)

    Kikuchi, Hideaki; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya; Iyetomi, Hiroshi; Ogata, Shuji; Kouno, Takahisa; Shimojo, Fuyuki; Tsuruta, Kanji; Saini, Subhash; Biegel, Bryan (Technical Monitor)


    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.

  2. Fracture mechanics of PGX graphite

    Energy Technology Data Exchange (ETDEWEB)

    Ho, F.H.; Vollman, R.E.; Cull, A.D.


    Fracture mechanics tests were performed on grade PGX graphite. A compact tension specimen configuration which yields consistent values of the opening mode critical stress intensity factor K/sub IC/, was designed. For the calculation of the fracture toughness and crack growth rate the concept of the effective crack length is used. It corresponds to the crack length of a machined notched specimen with the same compliance. Fracture toughness testing was performed in two environments, air and helium, both at room temperature. The critical stress intensity factor, K/sub IC/, is calculated based on the maximum load and the effective crack length. The fatigue crack growth test was performed in air only. A break-in period was observed for the machined notch to develop into a naturally occurring crack path. Half of the fatigue life was spent in this period.

  3. Atomistic Failure Mechanism of Single Wall Carbon Nanotubes with Small Diameters

    Institute of Scientific and Technical Information of China (English)

    JI Dong; GAO Xiang; KONG Xiang-Yang; LI Jia-Ming


    @@ Single wall carbon nanotubes with small diameters (< 5.0 (A)) subjected to bending deformation are simulated by orthogonal tight-binding molecular dynamics approach. Based on the calculations of C-C bond stretching and breaking in the bending nanotubes, we elucidate the atomistic failure mechanisms of nanotube with small diameters. In the folding zone of bending nanotube, a large elongation of C-C bonds occurs, accounting for the superelastic behaviour.

  4. Continuum damage and fracture mechanics

    CERN Document Server

    Öchsner, Andreas


    This textbook offers readers an introduction to damage and fracture mechanics, equipping them to grasp the basic ideas of the presented approaches to modeling in applied mechanics. In the first part, the book reviews and expands on the classical theory of elastic and elasto-plastic material behavior. A solid understanding of these two topics is the essential prerequisite to advancing to damage and fracture mechanics. Thus, the second part of this course provides an introduction to the treatment of damage and fractures in the context of applied mechanics. Wherever possible, the one-dimensional case is first introduced and then generalized in a following step. This departs somewhat from the more classical approach, where first the most general case is derived and then simplified to special cases. In general, the required mathematics background is kept to a minimum.   Tutorials are included at the end of each chapter, presenting the major steps for the solution and offering valuable tips and tricks. The supplem...

  5. Fracture toughness from atomistic simulations: Brittleness induced by emission of sessile dislocations

    Energy Technology Data Exchange (ETDEWEB)

    Farkas, D. [Virginia Polytechnic Inst. and State Univ., Blacksburg, VA (United States). Dept. of Materials Science and Engineering


    Using atomistic simulations of crack response for intermetallic materials the author shows that when the emitted dislocations are sessile and stay in the immediate vicinity of the crack tip the emitted dislocations can actually lead to brittle failure. She present the results of an atomistic simulation study of the simultaneous dislocation emission and crack propagation process in this class of materials. She used a molecular statics technique with embedded atom (EAM) potentials developed for NiAl. The crystal structure of NiAl is the CsCl type (B2) with a lattice parameter of 0.287 nm, which is reproduced by the potential together with the cohesive energy and elastic constants. The compound stays ordered up to the melting point, indicating a strong tendency towards chemical ordering with a relatively high energy of the antiphase boundary (APB). As a result of this relatively large energy the dislocations of 1/2<111> type Burgers vectors imply a high energy and the deformation process occurs via the larger <100> type dislocations.

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

    Tvaroška, Igor


    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.

  7. Atomistic mechanisms governing structural stability change of zinc antimony thermoelectrics

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Xiaolong [Frontier Institute of Science and Technology, Xi' an Jiaotong University, Xi' an 710054 (China); Lin, Jianping, E-mail: [School of Materials Science and Engineering, Xiamen University of Technology, Xiamen 361024 (China); Qiao, Guanjun [State Key Laboratory for Mechanical Behavior of Materials, Xi' an Jiaotong University, Xi' an 710049 (China); Wang, Zhao, E-mail: [Frontier Institute of Science and Technology, Xi' an Jiaotong University, Xi' an 710054 (China); State Key Laboratory for Mechanical Behavior of Materials, Xi' an Jiaotong University, Xi' an 710049 (China)


    The structural stability of thermoelectric materials is a subject of growing importance for their energy harvesting applications. Here, we study the microscopic mechanisms governing the structural stability change of zinc antimony at its working temperature, using molecular dynamics combined with experimental measurements of the electrical and thermal conductivity. Our results show that the temperature-dependence of the thermal and electrical transport coefficients is strongly correlated with a structural transition. This is found to be associated with a relaxation process, in which a group of Zn atoms migrates between interstitial sites. This atom migration gradually leads to a stabilizing structural transition of the entire crystal framework, and then results in a more stable crystal structure of β–Zn{sub 4}Sb{sub 3} at high temperature.

  8. Atomistic simulations of fracture in the B2 phase of the Nb-Ti-Al system

    Energy Technology Data Exchange (ETDEWEB)

    Farkas, D. [Virginia Polytechnic Inst. and State Univ., Blacksburg, VA (United States). Computer Simulation Lab.


    Atomistic simulations of the crack tip configuration in the B2 phase of Nb-rich alloys in the Nb-Ti-Al are presented. The alloy compositions studied are Nb-16Al-16Ti and Nb-16Al-33Ti. The simulations were carried out using molecular statics and empirical embedded atom method (EAM) potentials for the ternary system developed in previous work. The behavior of a semi-infinite crack was studied under mode I loading for different crack tip geometries. The crack was embedded in a simulation cell with periodic boundary conditions along the direction parallel to the crack front and fixed boundary conditions along the periphery of the simulation cell. The quasi-static simulations were carried out using a molecular statics relaxation technique to obtain the minimum energy configuration of the atoms starting from their initial elastic positions, under increasingly higher stress intensities. The competition between dislocation emission and cleavage was studied in these alloys as a function of Ti content. Cracks along {l_brace}110{r_brace}-type planes with crack fronts oriented along different directions were studied. The alloys showed increased ductility with increased Ti content. The simulations show more ductile behavior than other intermetallics, due to easier dislocation emission processes at the crack tip. (orig.) 30 refs.

  9. Fracture Mechanics: Inspirations from Nature

    Directory of Open Access Journals (Sweden)

    David Taylor


    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. Recent trends in fracture and damage mechanics

    CERN Document Server

    Zybell, Lutz


    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.

  11. A hybrid atomistic electrodynamics-quantum mechanical approach for simulating surface-enhanced Raman scattering. (United States)

    Payton, John L; Morton, Seth M; Moore, Justin E; Jensen, Lasse


    Surface-enhanced Raman scattering (SERS) is a technique that has broad implications for biological and chemical sensing applications by providing the ability to simultaneously detect and identify a single molecule. The Raman scattering of molecules adsorbed on metal nanoparticles can be enhanced by many orders of magnitude. These enhancements stem from a twofold mechanism: an electromagnetic mechanism (EM), which is due to the enhanced local field near the metal surface, and a chemical mechanism (CM), which is due to the adsorbate specific interactions between the metal surface and the molecules. The local field near the metal surface can be significantly enhanced due to the plasmon excitation, and therefore chemists generally accept that the EM provides the majority of the enhancements. While classical electrodynamics simulations can accurately simulate the local electric field around metal nanoparticles, they offer few insights into the spectral changes that occur in SERS. First-principles simulations can directly predict the Raman spectrum but are limited to small metal clusters and therefore are often used for understanding the CM. Thus, there is a need for developing new methods that bridge the electrodynamics simulations of the metal nanoparticle and the first-principles simulations of the molecule to facilitate direct simulations of SERS spectra. In this Account, we discuss our recent work on developing a hybrid atomistic electrodynamics-quantum mechanical approach to simulate SERS. This hybrid method is called the discrete interaction model/quantum mechanics (DIM/QM) method and consists of an atomistic electrodynamics model of the metal nanoparticle and a time-dependent density functional theory (TDDFT) description of the molecule. In contrast to most previous work, the DIM/QM method enables us to retain a detailed atomistic structure of the nanoparticle and provides a natural bridge between the electronic structure methods and the macroscopic

  12. Fully atomistic molecular-mechanical model of liquid alkane oils: Computational validation. (United States)

    Zahariev, Tsvetan K; Slavchov, Radomir I; Tadjer, Alia V; Ivanova, Anela N


    Fully atomistic molecular dynamics simulations were performed on liquid n-pentane, n-hexane, and n-heptane to derive an atomistic model for middle-chain-length alkanes. All simulations were based on existing molecular-mechanical parameters for alkanes. The computational protocol was optimized, for example, in terms of thermo- and barostat, to reproduce properly the properties of the liquids. The model was validated by comparison of thermal, structural, and dynamic properties of the normal alkane liquids to experimental data. Two different combinations of temperature and pressure coupling algorithms were tested. A simple differential approach was applied to evaluate fluctuation-related properties with sufficient accuracy. Analysis of the data reveals a satisfactory representation of the hydrophobic systems behavior. Thermodynamic parameters are close to the experimental values and exhibit correct temperature dependence. The observed intramolecular geometry corresponds to extended conformations domination, whereas the intermolecular structure demonstrates all characteristics of liquid systems. Cavity size distribution function was calculated from coordinates analysis and was applied to study the solubility of gases in hexane and heptane oils. This study provides a platform for further in-depth research on hydrophobic solutions and multicomponent systems.

  13. Mechanism of the Cassie-Wenzel transition via the atomistic and continuum string methods

    Energy Technology Data Exchange (ETDEWEB)

    Giacomello, Alberto, E-mail:; Casciola, Carlo Massimo [Dipartimento di Ingegneria Meccanica e Aerospaziale, Università di Roma “La Sapienza,” 00184 Rome (Italy); Meloni, Simone, E-mail: [Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne (Switzerland); Müller, Marcus [Institut für Theoretische Physik, Georg-August-Universität Göttingen, 37077 Göttingen (Germany)


    The string method is a general and flexible strategy to compute the most probable transition path for an activated process (rare event). We apply here the atomistic string method in the density field to the Cassie-Wenzel transition, a central problem in the field of superhydrophobicity. We discuss in detail the mechanism of wetting of a submerged hydrophobic cavity of nanometer size and its dependence on the geometry of the cavity. Furthermore, we analyze the algorithmic analogies between the continuum “interface” string method and CREaM [Giacomello et al., Phys. Rev. Lett. 109, 226102 (2012)], a method inspired by the string that allows for a faster and simpler computation of the mechanism and of the free-energy profiles of the wetting process.

  14. 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.

  15. Mechanical properties of various two-dimensional silicon carbide sheets: An atomistic study (United States)

    Nguyen, Danh-Truong; Le, Minh-Quy


    We investigate through molecular dynamics finite element method with Tersoff potential the mechanical properties of 13 SimCn sheets under uniaxial tension in the armchair and zigzag directions. It is found that the presence and dispersion of silicon atoms in SimCn sheets affect strongly the mechanical properties and the anisotropy of these sheets. The Young's modulus and fracture stress of the SimCn sheet decrease in general when the silicon concentration increases from 0 to 0.2. In contrast, the mechanical properties (Young's modulus, fracture stress, and fracture strain) increase slightly when the silicon concentration increases from 0.3 to 0.5 due to an increase of the degree of dispersion of silicon atoms in the SimCn sheet. The mechanical properties of the sheet are relatively high when the silicon concentration is low or silicon atoms are well dispersed.

  16. Fracture mechanics of piezoelectric and ferroelectric solids

    CERN Document Server

    Fang, Daining


    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.

  17. Fracture mechanism of a thermal barrier coating (United States)

    Samoilenko, V. M.; Ravilov, R. G.; Drevnyak, V. V.; Petrova, M. A.


    The fracture mechanism of the thermal barrier coating of gas turbine blades is studied. The causes of the fracture of the ceramic layer are discussed and the possible ways to increase the fatigue life of the thermal barrier coating are considered.

  18. Atomistic insights into dislocation-based mechanisms of void growth and coalescence (United States)

    Mi, Changwen; Buttry, Daniel A.; Sharma, Pradeep; Kouris, Demitris A.


    One of the low-temperature failure mechanisms in ductile metallic alloys is the growth of voids and their coalescence. In the present work we attempt to obtain atomistic insights into the mechanisms underpinning cavitation in a representative metal, namely Aluminum. Often the pre-existing voids in metallic alloys such as Al have complex shapes (e.g. corrosion pits) and the defromation/damage mechanisms exhibit a rich size-dependent behavior across various material length scales. We focus on these two issues in this paper through large-scale calculations on specimens of sizes ranging from 18 thousand to 1.08 million atoms. In addition to the elucidation of the dislocation propagation based void growth mechanism we highlight the observed length scale effect reflected in the effective stress-strain response, stress triaxiality and void fraction evolution. Furthermore, as expected, the conventionally used Gurson's model fails to capture the observed size-effects calling for a mechanistic modification that incorporates the mechanisms observed in our (and other researchers') simulation. Finally, in our multi-void simulations, we find that, the splitting of a big void into a distribution of small ones increases the load-carrying capacity of specimens. However, no obvious dependence of the void fraction evolution on void coalescence is observed.

  19. Fractures and rock mechanics, Phase 2

    Energy Technology Data Exchange (ETDEWEB)



    Knowledge of fracture occurrence and orientation in chalk is important for optimum field development planning and evaluation of well-bore stability. The combined geological and geotechnical studies carried out under the EFP-96 and EFP-98 programmes have investigated the influence of fractures on rock mechanics properties for chalk. Data for quantifying the effect of natural fractures in chalk have been supplied by triaxial testing in normal scale and large scale on samples from three chalk types, namely from Valhall Tor and Tyra Maastrichtian and an outcrop locality at Hillerslev. >From the latter locality special big cylindrical specimens were sampled for the large scale triaxial testing (500x500 mm) in order to get at true representation of the natural fracturing in the Hillerslev chalk. By comparing test results from normal scale to large scale on fractured and non fractured specimens it was found that the stiffness of the chalk is dependent on scale while the shear strength generally seems to depend on fractures and not on scale. Furthermore the studies revealed, that fractures have a significant reducing effect on the shear strength, that characterisation by the Geological Strength Index, GSI, on fractured test specimens igve a very good prediction of shear, that shear failure and yield surface characteristics for fractued and intact chalk can be provided using GSI, that up-scaling influence the elastic deformation properties in the low stress regime and that fractures influence the compressibility in the elastic stress regime, but not in the plastic stress regime. Finally, the practical application of some of the results on reservoir chalk has been addressed, especially the up-scaling of strength and deformation properties from normal scale tests to reservoir conditions. The up-scaling laws are relevant for borehole stability problems but not for compaction. Generally, the observations in the study are relevant for quantifying the effect of fracturing and

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

    CERN Document Server

    François, Dominique; Zaoui, André


    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...

  1. Atomistic modeling of structure II gas hydrate mechanics: Compressibility and equations of state (United States)

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


    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.

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

    Directory of Open Access Journals (Sweden)

    Thomas M. Vlasic


    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.

  3. Thermodynamic and mechanical properties of copper precipitates in α-iron from atomistic simulations (United States)

    Erhart, Paul; Marian, Jaime; Sadigh, Babak


    Precipitate hardening is commonly used in materials science to control strength by acting on the number density, size distribution, and shape of solute precipitates in the hardened matrix. The Fe-Cu system has attracted much attention over the last several decades due to its technological importance as a model alloy for Cu steels. In spite of these efforts several aspects of its phase diagram remain unexplained. Here we use atomistic simulations to characterize the polymorphic phase diagram of Cu precipitates in body-centered cubic (BCC) Fe and establish a consistent link between their thermodynamic and mechanical properties in terms of thermal stability, shape, and strength. The size at which Cu precipitates transform from BCC to a close-packed 9R structure is found to be strongly temperature dependent, ranging from approximately 4 nm in diameter (˜2700atoms) at 200 K to about 8 nm (˜22800atoms) at 700 K. These numbers are in very good agreement with the interpretation of experimental data given Monzen [Philos. Mag. APMAADG0141-861010.1080/01418610008212077 80, 711 (2000)]. The strong temperature dependence originates from the entropic stabilization of BCC Cu, which is mechanically unstable as a bulk phase. While at high temperatures the transition exhibits first-order characteristics, the hysteresis, and thus the nucleation barrier, vanish at temperatures below approximately 300 K. This behavior is explained in terms of the mutual cancellation of the energy differences between core and shell (wetting layer) regions of BCC and 9R nanoprecipitates, respectively. The proposed mechanism is not specific for the Fe-Cu system but could generally be observed in immiscible systems, whenever the minority component is unstable in the lattice structure of the host matrix. Finally, we also study the interaction of precipitates with screw dislocations as a function of both structure and orientation. The results provide a coherent picture of precipitate strength that unifies

  4. Atomistic tensile deformation mechanisms of Fe with gradient nano-grained structure

    Directory of Open Access Journals (Sweden)

    Wenbin Li


    Full Text Available Large-scale molecular dynamics (MD simulations have been performed to investigate the tensile properties and the related atomistic deformation mechanisms of the gradient nano-grained (GNG structure of bcc Fe (gradient grains with d from 25 nm to 105 nm, and comparisons were made with the uniform nano-grained (NG structure of bcc Fe (grains with d = 25 nm. The grain size gradient in the nano-scale converts the applied uniaxial stress to multi-axial stresses and promotes the dislocation behaviors in the GNG structure, which results in extra hardening and flow strength. Thus, the GNG structure shows slightly higher flow stress at the early plastic deformation stage when compared to the uniform NG structure (even with smaller grain size. In the GNG structure, the dominant deformation mechanisms are closely related to the grain sizes. For grains with d = 25 nm, the deformation mechanisms are dominated by GB migration, grain rotation and grain coalescence although a few dislocations are observed. For grains with d = 54 nm, dislocation nucleation, propagation and formation of dislocation wall near GBs are observed. Moreover, formation of dislocation wall and dislocation pile-up near GBs are observed for grains with d = 105 nm, which is the first observation by MD simulations to our best knowledge. The strain compatibility among different layers with various grain sizes in the GNG structure should promote the dislocation behaviors and the flow stress of the whole structure, and the present results should provide insights to design the microstructures for developing strong-and-ductile metals.

  5. Fractures and Rock Mechanics, Phase 1

    DEFF Research Database (Denmark)

    Havmøller, Ole; Krogsbøll, Anette


    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 and Hillers......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...

  6. Fractures and Rock Mechanics, Phase 1

    DEFF Research Database (Denmark)

    Krogsbøll, Anette; Jakobsen, Finn; Madsen, Lena


    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...

  7. Fracture mechanics of collagen fibrils

    DEFF Research Database (Denmark)

    Svensson, Rene B; Mulder, Hindrik; Kovanen, Vuokko;


    Tendons are important load-bearing structures, which are frequently injured in both sports and work. Type I collagen fibrils are the primary components of tendons and carry most of the mechanical loads experienced by the tissue, however, knowledge of how load is transmitted between and within...... fibrils is limited. The presence of covalent enzymatic cross-links between collagen molecules is an important factor that has been shown to influence mechanical behavior of the tendons. To improve our understanding of how molecular bonds translate into tendon mechanics, we used an atomic force microscopy...... technique to measure the mechanical behavior of individual collagen fibrils loaded to failure. Fibrils from human patellar tendons, rat-tail tendons (RTTs), NaBH₄ reduced RTTs, and tail tendons of Zucker diabetic fat rats were tested. We found a characteristic three-phase stress-strain behavior in the human...

  8. Crack branching in carbon steel. Fracture mechanisms (United States)

    Syromyatnikova, A. S.; Alekseev, A. A.; Levin, A. I.; Lyglaev, A. V.


    The fracture surfaces of pressure vessels made of carbon steel that form during crack branching propagation are examined by fractography. Crack branching is found to occur at a crack velocity higher than a certain critical value V > V c . In this case, the material volume that is involved in fracture and depends on the elastoplastic properties of the material and the sample width has no time to dissipate the energy released upon crack motion via the damage mechanisms intrinsic in the material under given deformation conditions (in our case, via cracking according to intragranular cleavage).

  9. Size Effects in Linear Elastic Fracture Mechanics (United States)


    Recent Theoretical and Experimental Developments in Fracture Mechanics", Fracture 1977, 1 (1977) 695-723. 40 S. Mindess and J. S. Nadeau," Effect of Notch...0.4 1.42 b 2.0 0.80 b Mindess and Nadeau [40], 1.0 3.98 0.86 b Mortar, 3PB 8.03 0.80 b 12.0 0.82 b 16.0 0.84 b 20.0 0.83 b Concrete, 3PB 1.0 3.54 1.08

  10. Fracture Mechanisms in Steel Castings

    Directory of Open Access Journals (Sweden)

    Z. Stradomski


    Full Text Available The investigations were inspired with the problem of cracking of steel castings during the production process. A single mechanism of decohesion - the intergranular one - occurs in the case of hot cracking, while a variety of structural factors is decisive for hot cracking initiation, depending on chemical composition of the cast steel. The low-carbon and low-alloyed steel castings crack due to the presence of the type II sulphides, the cause of cracking of the high-carbon tool cast steels is the net of secondary cementite and/or ledeburite precipitated along the boundaries of solidified grains. Also the brittle phosphor and carbide eutectics precipitated in the final stage solidification are responsible for cracking of castings made of Hadfield steel. The examination of mechanical properties at 1050°C revealed low or very low strength of high-carbon cast steels.

  11. Mechanics of low-dimensional carbon nanostructures: Atomistic, continuum, and multi-scale approaches (United States)

    Mahdavi, Arash

    A new multiscale modeling technique called the Consistent Atomic-scale Finite Element (CAFE) method is introduced. Unlike traditional approaches for linking the atomic structure to its equivalent continuum, this method directly connects the atomic degrees of freedom to a reduced set of finite element degrees of freedom without passing through an intermediate homogenized continuum. As a result, there is no need to introduce stress and strain measures at the atomic level. The Tersoff-Brenner interatomic potential is used to calculate the consistent tangent stiffness matrix of the structure. In this finite element formulation, all local and non-local interactions between carbon atoms are taken into account using overlapping finite elements. In addition, a consistent hierarchical finite element modeling technique is developed for adaptively coarsening and refining the mesh over different parts of the model. This process is consistent with the underlying atomic structure and, by refining the mesh to the scale of atomic spacing, molecular dynamic results can be recovered. This method is valid across the scales and can be used to concurrently model atomistic and continuum phenomena so, in contrast with most other multi-scale methods, there is no need to introduce artificial boundaries for coupling atomistic and continuum regions. Effect of the length scale of the nanostructure is also included in the model by building the hierarchy of elements from bottom up using a finite size atom cluster as the building block. To be consistent with the bravais multi-lattice structure of sp2-bonded carbon, two independent displacement fields are used for reducing the order of the model. Sparse structure of the stiffness matrix of these nanostructures is exploited to reduce the memory requirement and to speed up the formation of the system matrices and solution of the equilibrium equations. Applicability of the method is shown with several examples of the nonlinear mechanics of carbon

  12. Molecular and intermolecular effects in collagen fibril mechanics: a multiscale analytical model compared with atomistic and experimental studies. (United States)

    Marino, Michele


    Both atomistic and experimental studies reveal the dependence of collagen fibril mechanics on biochemical and biophysical features such as, for instance, cross-link density, water content and protein sequence. In order to move toward a multiscale structural description of biological tissues, a novel analytical model for collagen fibril mechanics is herein presented. The model is based on a multiscale approach that incorporates and couples: thermal fluctuations in collagen molecules; the uncoiling of collagen triple helix; the stretching of molecular backbone; the straightening of the telopeptide in which covalent cross-links form; slip-pulse mechanisms due to the rupture of intermolecular weak bonds; molecular interstrand delamination due to the rupture of intramolecular weak bonds; the rupture of covalent bonds within molecular strands. The effectiveness of the proposed approach is verified by comparison with available atomistic results and experimental data, highlighting the importance of cross-link density in tuning collagen fibril mechanics. The typical three-region shape and hysteresis behavior of fibril constitutive response, as well as the transition from a yielding-like to a brittle-like behavior, are recovered with a special insight on the underlying nanoscale mechanisms. The model is based on parameters with a clear biophysical and biochemical meaning, resulting in a promising tool for analyzing the effect of pathological or pharmacological-induced histochemical alterations on the functional mechanical response of collagenous tissues.

  13. Fracture mechanics safety assessment based on mechanics of materials

    Energy Technology Data Exchange (ETDEWEB)

    Roos, E.; Demler, T.; Eisele, U.; Gillot, R. (Stuttgart Univ. (Germany, F.R.). Staatliche Materialpruefungsanstalt)


    In order to determine the influence of the test temperature on the fracture mechanics characteristics for static and dynamic initiation, crack growth, and arrest, investigations were carried out on pressure vessel and piping steels of different toughness and strength (22 NiMoCr 37; 15 NiCuMoNb 5; 20 MnMoNi 55; 15 MnNi 63). The selected temperature range allowed both linear-elastic and elastic-plastic material behaviour to be examined. In the regime of linear-elastic fracture mechanics (LEFM) the conservatism of the reference curves of American and German guidelines could be demonstrated. In the upper shelf, where elastic-plastic, fracture mechanics (EPFM) parameters have to be applied, toughness-dependent overestimations of the real material properties result from the application of the reference curves. (orig./MM).

  14. Atomistic simulations of nanoindentation

    Directory of Open Access Journals (Sweden)

    Izabela Szlufarska


    Full Text Available Our understanding of mechanics is pushed to its limit when the functionality of devices is controlled at the nanometer scale. A fundamental understanding of nanomechanics is needed to design materials with optimum properties. Atomistic simulations can bring an important insight into nanostructure-property relations and, when combined with experiments, they become a powerful tool to move nanomechanics from basic science to the application area. Nanoindentation is a well-established technique for studying mechanical response. We review recent advances in modeling (atomistic and beyond of nanoindentation and discuss how they have contributed to our current state of knowledge.

  15. An atomistic study on configuration, mechanics and growth of nanoscale filaments (United States)

    Shahabi, Alireza

    conformations in these electronically active filaments open up the possibility of non-linear stretchable interconnects, and we study their reliability by extracting the elastic stiffness of the various conformations. We extract force-displacement curves of scrolls and plectonemes in the various systems. Our analysis sheds light on the relation between the shape of the nanostructures and the elastic stiffness of the nanofilaments. In overall, our study provides us with a novel route to engineer the nanofilaments and tune their mechanical properties using a combination of physical constraints and mechanical loading. In the next part of the dissertation, we perform a comprehensive atomistic study of the nanoscale crystal growth mechanisms of Au-catalyzed silicon nanowires grown via the vapor liquid solid method (VLS) during early stages of the droplet to nanowire transition. The transition sets the size of the nanowire, and the principles of diameter selection remain poorly understood. Our analysis reveals the role of the initial configuration of the nanodroplet and the effect of surface tension on the success of the VLS growth process. We observe lateral extension of liquid feet from the sides of nanodroplet during the VLS process. In addition to the nanodroplet diameter, the liquid feet plays a crucial role on determining the final geometry of the nanowire. We also observe an important correlation between the rate of deposition of Si atoms and presence of the twining in the nanowire structure, which significantly affects its properties. Higher deposition rates result in incorporation of metallic impurities in the nanowire structure, which consequently results in the formation of twining deformation. Our MD studies uncover a previously ignored interplay between solute trapping of catalyst particles in the nanowire, and twin formation, and we discuss this effect in the context of past experimental reports on twin formation in semiconducting nanowires, and the ability to

  16. Crack propagation in fracture mechanical graded structures

    Directory of Open Access Journals (Sweden)

    B. Schramm


    Full Text Available The focus of manufacturing is more and more on innovative and application-oriented products considering lightweight construction. Hence, especially functional graded materials come to the fore. Due to the application-matched functional material gradation different local demands such as absorbability, abrasion and fatigue of structures are met. However, the material gradation can also have a remarkable influence on the crack propagation behavior. Therefore, this paper examines how the crack propagation behavior changes when a crack grows through regions which are characterized by different fracture mechanical material properties (e.g. different threshold values KI,th, different fracture toughness KIC. In particular, the emphasis of this paper is on the beginning of stable crack propagation, the crack velocity, the crack propagation direction as well as on the occurrence of unstable crack growth under static as well as cyclic loading. In this context, the developed TSSR-concept is presented which allows the prediction of crack propagation in fracture mechanical graded structures considering the loading situation (Mode I, Mode II and plane Mixed Mode and the material gradation. In addition, results of experimental investigations for a mode I loading situation and numerical simulations of crack growth in such graded structures confirm the theoretical findings and clarify the influence of the material gradation on the crack propagation behavior.

  17. Investigations on the mechanical behavior of nanowires with twin boundaries by atomistic simulations

    Energy Technology Data Exchange (ETDEWEB)

    Tian, Xia, E-mail: [College of Mechanics and Materials, HoHai University, Nanjing 210098 (China)


    Atomistic simulations are used to study the deformation behavior of twinned Cu nanowires with a <111> growth orientation under tension. Due to the existence of the twin boundaries, the strength of the twinned nanowires is higher than that of the twin-free nanowire and the yielding stress of twinned nanowires is inversely proportional to the spacings of the twin boundaries. Moreover, The ductility of the twin-free nanowire is the highest of all and it grows with the increasing spacings of the twin boundaries for twinned nanowires. Besides, we find that the twin boundaries can be served as dislocation sources as well as the free surfaces and grain boundaries.

  18. Mechanic behavior of unloading fractured rock mass

    Institute of Scientific and Technical Information of China (English)

    YIN Ke; ZHANG Yongxing; WU Hanhui


    Under tension and shear conditions related to unloading of rock mass, a jointed rock mass model of linear elastic fracture mechanics is established. According to the model, the equations of stresses, strains and displacements of the region influenced by the crack but relatively faraway the crack (the distance between the research point and the center of the crack is longer than the length of crack) are derived. They are important for evaluating the deformation of cracked rock. It is demonstrated by the comparison between computational results of these theoretical equations and the observed data from unloading test that they are applicable for actual engineering.

  19. Analogy between fluid cavitation and fracture mechanics (United States)

    Hendricks, R. C.; Mullen, R. L.; Braun, M. J.


    When the stresses imposed on a fluid are sufficiently large, rupture or cavitation can occur. Such conditions can exist in many two-phase flow applications, such as the choked flows, which can occur in seals and bearings. Nonspherical bubbles with large aspect ratios have been observed in fluids under rapid acceleration and high shear fields. These bubbles are geometrically similar to fracture surface patterns (Griffith crack model) existing in solids. Analogies between crack growth in solid and fluid cavitation are proposed and supported by analysis and observation (photographs). Healing phenomena (void condensation), well accepted in fluid mechanics, have been observed in some polymers and hypothesized in solid mechanics. By drawing on the strengths of the theories of solid mechanics and cavitation, a more complete unified theory can be developed.

  20. Mechanical stratigraphic controls on natural fracture spacing and penetration (United States)

    McGinnis, Ronald N.; Ferrill, David A.; Morris, Alan P.; Smart, Kevin J.; Lehrmann, Daniel


    Fine-grained low permeability sedimentary rocks, such as shale and mudrock, have drawn attention as unconventional hydrocarbon reservoirs. Fracturing - both natural and induced - is extremely important for increasing permeability in otherwise low-permeability rock. We analyze natural extension fracture networks within a complete measured outcrop section of the Ernst Member of the Boquillas Formation in Big Bend National Park, west Texas. Results of bed-center, dip-parallel scanline surveys demonstrate nearly identical fracture strikes and slight variation in dip between mudrock, chalk, and limestone beds. Fracture spacing tends to increase proportional to bed thickness in limestone and chalk beds; however, dramatic differences in fracture spacing are observed in mudrock. A direct relationship is observed between fracture spacing/thickness ratio and rock competence. Vertical fracture penetrations measured from the middle of chalk and limestone beds generally extend to and often beyond bed boundaries into the vertically adjacent mudrock beds. In contrast, fractures in the mudrock beds rarely penetrate beyond the bed boundaries into the adjacent carbonate beds. Consequently, natural bed-perpendicular fracture connectivity through the mechanically layered sequence generally is poor. Fracture connectivity strongly influences permeability architecture, and fracture prediction should consider thin bed-scale control on fracture heights and the strong lithologic control on fracture spacing.

  1. Experimental and finite element analysis of fracture criterion in general yielding fracture mechanics

    Indian Academy of Sciences (India)

    D M Kulkarni; Ravi Prakash; A N Kumar


    Efforts made over the last three decades to understand the fracture behaviour of structural materials in elastic and elasto-plastic fracture mechanics are numerous, whereas investigations related to fracture behaviour of materials in thin sheets or general yielding fracture regimes are limited in number. Engineering simulative tests are being used to characterize formability and drawability of sheet metals. However, these tests do not assure consistency in quality of sheet metal products. The prevention of failure in stressed structural components currently requires fracture mechanics based design parameters like critical load, critical crack-tip opening displacement or fracture toughness. The present attempt would aim to fulfill this gap and generate more information thereby increased understanding on fracture behaviour of sheet metals. In the present investigation, using a recently developed technique for determining fracture criteria in sheet metals, results are generated on critical CTOD and fracture toughness. Finite element analysis was performed to support the results on various fracture parameters. The differences are within 1 to 4%. At the end it is concluded that magnitude of critical CTOD and/or critical load can be used as a fracture criterion for thin sheets.

  2. An atomistic investigation on the mechanism of machining nanostructures when using single tip and multi-tip diamond tools

    Energy Technology Data Exchange (ETDEWEB)

    Tong, Zhen [Department of Design, Manufacture and Engineering Management, University of Strathclyde, Glasgow G1 1XQ (United Kingdom); Centre for Precision Technologies, University of Huddersfield, Huddersfield HD1 3DH (United Kingdom); Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China); Liang, Yingchun [Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China); Jiang, Xiangqian [Centre for Precision Technologies, University of Huddersfield, Huddersfield HD1 3DH (United Kingdom); Luo, Xichun, E-mail: [Department of Design, Manufacture and Engineering Management, University of Strathclyde, Glasgow G1 1XQ (United Kingdom); Centre for Precision Technologies, University of Huddersfield, Huddersfield HD1 3DH (United Kingdom)


    In our previous work, a scale-up fabrication approach to cost effectively manufacturing nano-gratings over large area has been developed through diamond turning by using a multi-tip diamond tool fabricated by Focused Ion Beam. The objective of this study is to gain an in-depth understanding of the mechanism of machining nanostructures on single crystal copper through diamond turning when using a single tip and a multi-tip nanoscale diamond tool. For this purpose atomistic models of a single tip tool for multi-pass cutting and a multi-tip tool for single-pass cutting were built, respectively. The nature of the cutting chip formation, dislocation nucleation and propagation, cutting forces, and temperature distribution during nanometric cutting processes were studied through molecular dynamics (MD) simulations. Results show that nanostructure generation process at steady cutting stage was governed by a strong localization of the dislocation movement and the dynamic equilibrium of chip-tool contact area. Except the apparent improvement of machining efficiency that proportional to the tool tip numbers, the nano-grooves generated by multi-tip tool also have higher center symmetry than those machined by single tip tool. While the average tangential cutting force per tip were calculated all around 33.3 nN, a larger normal cutting force per tip being 54.1 nN was observed when using a multi-tip tool. A concept of atomistic equivalent temperature was proposed and used to analysis the important features of temperature distribution during the machining process. The advantage, disadvantage and applicability of diamond turning using multi-tip tool were discussed in comparison with those of using single-tip tool. The findings suggest that diamond turning using multi-tip tool might be more applicable than using single tip tool when apply to scale-up fabrication of periodic nanostructures.

  3. 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


    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.

  4. Atomistic simulation study of the effect of martensitic transformation volume change on crack-tip material evolution and fracture toughness

    Energy Technology Data Exchange (ETDEWEB)

    Grujicic, M. [Clemson Univ., SC (United States). Dept. of Mechanical Engineering; Lai, S.G. [Clemson Univ., SC (United States). Dept. of Mechanical Engineering; Gumbsch, P. [Max Planck-Institut fur Metallforshung Institut fuer Werstoffwissenshaft, Seestrasse 92, D-7000 Stuttgart I (Germany)


    The effect of the sign of the F.C.C.{yields}B.C.C. martensitic transformation volume change in Fe-20Ni on material evolution in a region surrounding the crack tip and the accompanying change in the fracture resistance of the material have been investigated using molecular dynamics simulations. The interaction between atoms has been modeled using the embedded atom method (EAM) interatomic potentials. To obtain both the positive and the negative values of the transformation volume change, small adjustments had to be made in the EAM functions. These changes did not significantly affect of the key materials properties, such as the relative thermodynamic stability of the F.C.C. and B.C.C. structures, elastic constants, (11 anti 2){sub bcc} twin boundary energy, (10 anti 1){sub fcc}/(1 anti 21){sub bcc} interfacial energy, etc. The simulation results show that the sign of the transformation volume change has a profound effect on the material evolution and the path of the advancing crack. When the volume change is negative, the region ahead of the crack tip undergoes the transformation only after the other regions around the crack tip have already transformed. The crack tip undergoes a significant blunting and tends to stay on the original crack plane. In sharp contrast, when the volume change is positive, the region ahead of the crack tip transforms first and significant decohesion along the F.C.C./B.C.C. interfaces takes place. Consequently the crack tends to branch out. The effect of material evolution at the crack tip on the ability of the material to withstand further fracture has been quantified by calculating the Eshelby`s F{sub 1} conservation integral. The sign of the transformation volume change is found to have a major effect on the change of the F{sub 1} integral with the simulation time. (orig.)

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

    CERN Document Server

    Dharan, C K H; Finnie, Iain


    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...

  6. Polypropylene–rubber blends: 5. Deformation mechanism during fracture

    NARCIS (Netherlands)

    Wal, van der A.; Gaymans, R.J.


    The deformation mechanism of polypropylene–EPDM rubber blends during fracture was studied by post-mortem SEM fractography. The deformation mechanism was determined for various blend morphologies and test conditions. Brittle fracture merely gives rise to voids, which are caused by voiding of the rubb

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

    NARCIS (Netherlands)

    Van Mier, J.G.M.


    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

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

    DEFF Research Database (Denmark)

    Rom, Søren; Agerskov, Henning


    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 fatigue life of welded plate specimens has been investigated. Both the fracture mechanics analyses and the fatigue tests have been carried out using load histories, which correspond to one week's traffic loading, determined by means of strain gauge measurements on the deck structure of the Farø Bridges...... in Denmark. The results obtained from the fracture mechanics analyses show a significant difference between constant amplitude and variable amplitude results. Both the fracture mechanics analyses and the results of the fatigue tests carried out indicate that Miner's rule, which is normally used in the design...

  9. Complexity: a new paradigm for fracture mechanics

    Directory of Open Access Journals (Sweden)

    S. Puzzi


    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].

  10. Intergranular fracture in nanocrystalline metals (United States)

    Farkas, D.; van Swygenhoven, H.; Derlet, P. M.


    Crack propagation studies in nanocrystalline Ni samples with mean grain sizes ranging from 5 to 12 nm are reported using atomistic simulations. For all grain sizes pure intergranular fracture is observed. Intergranular fracture is shown to proceed by the coalescence of microvoids formed at the grain boundaries ahead of the crack. The energy released during propagation is higher than the Griffith value, indicating an additional grain-boundary accommodation mechanism.

  11. Void Coalescence Processes Quantified Through Atomistic and Multiscale Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Rudd, R E; Seppala, E T; Dupuy, L M; Belak, J


    Simulation of ductile fracture at the atomic scale reveals many aspects of the fracture process including specific mechanisms associated with void nucleation and growth as a precursor to fracture and the plastic deformation of the material surrounding the voids and cracks. Recently we have studied void coalescence in ductile metals using large-scale atomistic and continuum simulations. Here we review that work and present some related investigations. The atomistic simulations involve three-dimensional strain-controlled multi-million atom molecular dynamics simulations of copper. The correlated growth of two voids during the coalescence process leading to fracture is investigated, both in terms of its onset and the ensuing dynamical interactions. Void interactions are quantified through the rate of reduction of the distance between the voids, through the correlated directional growth of the voids, and through correlated shape evolution of the voids. The critical inter-void ligament distance marking the onset of coalescence is shown to be approximately one void radius based on the quantification measurements used, independent of the initial separation distance between the voids and the strain-rate of the expansion of the system. No pronounced shear flow is found in the coalescence process. We also discuss a technique for optimizing the calculation of fine-scale information on the fly for use in a coarse-scale simulation, and discuss the specific case of a fine-scale model that calculates void growth explicitly feeding into a coarse-scale mechanics model to study damage localization.

  12. Lipid exchange mechanism of the cholesteryl ester transfer protein clarified by atomistic and coarse-grained simulations.

    Directory of Open Access Journals (Sweden)

    Artturi Koivuniemi


    Full Text Available 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 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 through its charged and tryptophan residues. Upon binding, CETP rapidly (in about 10 ns induced the formation of a small hydrophobic patch to the phospholipid surface of the droplet, opening a route from the core of the lipid droplet to the binding pocket of CETP. This was followed by a conformational change of helix X of CETP to an open state, in which we found the accessibility of cholesteryl esters to the C-terminal tunnel opening of CETP to increase. Furthermore, in the absence of helix X, cholesteryl esters rapidly diffused into CETP through the C-terminal opening. The results provide compelling 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.

  13. Fracture mechanics solution of confined water progressive intrusion height of mining fracture floor

    Institute of Scientific and Technical Information of China (English)

    Lu Haifeng; Yao Duoxi; Shen Dan; Cao Jiyang


    In order to obtain the value of confined water progressive intrusion height of mining fracture floor, the analysis equation was deduced based on the fracture extension theory of the fracture mechanics. Further-more, the influence of some parameters (e.g., advancing distance of working face, water pressure, initial fracture length and its angle) on confined water progressive intrusion height were analyzed. The results indicate that tension-shearing fracture of floor is extended more easily than compression-shearing frac-ture under the same conditions. When floor fracture dip angle is less than 90?, tension-shearing extension occurs more easily on the left edge of the goaf. If fracture dip angle is larger than 90?, it occurs more easily on the right edge of the goaf. The longer the advancing distance of working face is, the greater initial frac-ture length goes; or the larger water pressure is, the greater possibility of tension-shearing extension occurs. The confined water progressive intrusion height reaches the maximum on the edge of the goaf. Field in situ test is consistent with the theoretical analysis result.

  14. Mechanical Properties and Failure of Biopolymers: Atomistic Reactions to Macroscale Response. (United States)

    Jung, GangSeob; Qin, Zhao; Buehler, Markus J


    The behavior of chemical bonding under various mechanical loadings is an intriguing mechanochemical property of biological materials, and the property plays a critical role in determining their deformation and failure mechanisms. Because of their astonishing mechanical properties and roles in constituting the basis of a variety of physiologically relevant materials, biological protein materials have been intensively studied. Understanding the relation between chemical bond networks (structures) and their mechanical properties offers great possibilities to enable new materials design in nanotechnology and new medical treatments for human diseases. Here we focus on how the chemical bonds in biological systems affect mechanical properties and how they change during mechanical deformation and failure. Three representative cases of biomaterials related to the human diseases are discussed in case studies, including: amyloids, intermediate filaments, and collagen, each describing mechanochemical features and how they relate to the pathological conditions at multiple scales.

  15. Database of atomistic reaction mechanisms with application to kinetic Monte Carlo. (United States)

    Terrell, Rye; Welborn, Matthew; Chill, Samuel T; Henkelman, Graeme


    Kinetic Monte Carlo is a method used to model the state-to-state kinetics of atomic systems when all reaction mechanisms and rates are known a priori. Adaptive versions of this algorithm use saddle searches from each visited state so that unexpected and complex reaction mechanisms can also be included. Here, we describe how calculated reaction mechanisms can be stored concisely in a kinetic database and subsequently reused to reduce the computational cost of such simulations. As all accessible reaction mechanisms available in a system are contained in the database, the cost of the adaptive algorithm is reduced towards that of standard kinetic Monte Carlo.

  16. Molecular dynamics investigation of the fracture behavior of nanocrystalline α-Fe (United States)

    Latapie, A.; Farkas, D.


    We carried out classical atomistic studies of crack propagation in fully three-dimensional nanocrystalline α-Fe (body-centered cubic structure) to examine the influence of temperature and average grain size on the fracture mechanisms and properties. Digital samples with grain sizes ranging from 6 to 12 nm are reported at temperatures ranging from 100 K to 600 K using atomistic simulations. For all grain sizes, a combination of intragranular and intergranular fracture is observed. Mechanisms such as grain boundary accommodation, grain boundary triple junction activity, grain nucleation and grain rotation are observed to dictate the plastic deformation energy release. Intergranular fracture is shown to proceed by the coalescence of nanovoids formed at the grain boundaries ahead of the crack. The simulations also show that at an atomistic scale the fracture resistance and plastic deformation energy release mechanisms increase with increasing temperature. The observed fracture toughness increases with decreasing grain size.

  17. Fracture mechanics and statistical mechanics of reinforced elastomeric blends

    CERN Document Server

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


    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...

  18. Analysis of a Prototypical Multiscale Method Coupling Atomistic and Continuum Mechanics:the Convex Case

    Institute of Scientific and Technical Information of China (English)

    Xavier Blanc; Claude Le Bris; Prédéric Legol


    In order to describe a solid which deforms smoothly in some region,but non smoothly in some other region,many multiscale methods have been recently proposed that aim at coupling an atonfistic model (discrete mechanics)with a macroscopic model(continuum mechanics).We provide here a theoretical basis for such a coupling in a one-dimensional setting,in the case of convex energy.

  19. Fracture mechanics parameters of multilayer pipes

    Directory of Open Access Journals (Sweden)

    Šestáková L.


    Full Text Available Multilayer pipes consisting of different materials are frequently used in praxis because of partial improvement of the properties of pipe systems. To estimate lifetime of these pipes the basic fracture parameters have to be determined. In this work finite element calculations are applied in order to estimate the stress intensity factor K and T-stress values for a new type of non-homogenous C-shape specimen. The application of calculated K and T values to laboratory estimation of fracture toughness and its transferability to real pipe system is discussed.

  20. Void Coalescence Processes Quantified through Atomistic and Multiscale Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Rudd, R E; Seppala, E T; Dupuy, L M; Belak, J


    Simulation of ductile fracture at the atomic scale reveals many aspects of the fracture process including specific mechanisms associated with void nucleation and growth as a precursor to fracture and the plastic deformation of the material surrounding the voids and cracks. Recently we have studied void coalescence in ductile metals using large-scale atomistic and continuum simulations. Here we review that work and present some related investigations. The atomistic simulations involve three-dimensional strain-controlled multi-million atom molecular dynamics simulations of copper. The correlated growth of two voids during the coalescence process leading to fracture is investigated, both in terms of its onset and the ensuing dynamical interactions. Void interactions are quantified through the rate of reduction of the distance between the voids, through the correlated directional growth of the voids, and through correlated shape evolution of the voids. The critical inter-void ligament distance marking the onset of coalescence is shown to be approximately one void radius based on the quantification measurements used, independent of the initial separation distance between the voids and the strain-rate of the expansion of the system. No pronounced shear flow is found in the coalescence process.

  1. In Vitro Fracture of Human Cortical Bone: Local Fracture Criteria and Toughening Mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Nalla, R; Stolken, J; Kinney, J; Ritchie, R


    A micro-mechanistic understanding of bone fracture that encompasses how cracks interact with the underlying microstructure and defines their local failure mode is lacking, despite extensive research on the response of bone to a variety of factors like aging, loading, and/or disease. Micro-mechanical models for fracture incorporating such local failure criteria have been widely developed for metallic and ceramic materials systems; however, few such deliberations have been undertaken for the fracture of bone. In fact, although the fracture event in mineralized tissues such as bone is commonly believed to be locally strain controlled, until recently there has been little experimental evidence to support this widely held belief. In the present study, a series of in vitro experiments involving a double-notch bend test geometry are performed in order to shed further light on the nature of the local cracking events that precede catastrophic fracture in bone and to define their relationship to the microstructure. Specifically, crack-microstructure interactions are examined to determine the salient toughening mechanisms in human cortical bone and to characterize how these may affect the anisotropy in fracture properties. Based on preliminary micro-mechanical models of these processes, in particular crack deflection and uncracked ligament bridging, the relative importance of these toughening mechanisms is established.

  2. Ab initio atomistic thermodynamics study on the oxidation mechanism of binary and ternary alloy surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Shi-Yu, E-mail: [College of Physics and Electronic Information Science, Tianjin Normal University, Tianjin 300387 (China); Department of Mechanical and Biomedical Engineering, City University of Hong Kong, Kowloon, Hong Kong (China); Liu, Shiyang [Institute of Information Optics, Zhejiang Normal University, Jinhua, Zhejiang 321004 (China); Li, De-Jun [College of Physics and Electronic Information Science, Tianjin Normal University, Tianjin 300387 (China); Wang, Sanwu, E-mail: [Department of Physics and Engineering Physics, The University of Tulsa, Tulsa, Oklahoma 74104 (United States); Guo, Jing; Shen, Yaogen, E-mail: [Department of Mechanical and Biomedical Engineering, City University of Hong Kong, Kowloon, Hong Kong (China)


    Utilizing a combination of ab initio density-functional theory and thermodynamics formalism, we have established the microscopic mechanisms for oxidation of the binary and ternary alloy surfaces and provided a clear explanation for the experimental results of the oxidation. We construct three-dimensional surface phase diagrams (SPDs) for oxygen adsorption on three different Nb-X(110) (X = Ti, Al or Si) binary alloy surfaces. On the basis of the obtained SPDs, we conclude a general microscopic mechanism for the thermodynamic oxidation, that is, under O-rich conditions, a uniform single-phase SPD (type I) and a nonuniform double-phase SPD (type II) correspond to the sustained complete selective oxidation and the non-sustained partial selective oxidation by adding the X element, respectively. Furthermore, by revealing the framework of thermodynamics for the oxidation mechanism of ternary alloys through the comparison of the surface energies of two separated binary alloys, we provide an understanding for the selective oxidation behavior of the Nb ternary alloy surfaces. Using these general microscopic mechanisms, one could predict the oxidation behavior of any binary and multi-component alloy surfaces based on thermodynamics considerations.

  3. Atomistic mechanism of microRNA translation upregulation via molecular dynamics simulations.

    Directory of Open Access Journals (Sweden)

    Wei Ye

    Full Text Available MicroRNAs are endogenous 23-25 nt RNAs that play important gene-regulatory roles in animals and plants. Recently, miR369-3 was found to upregulate translation of TNFα mRNA in quiescent (G0 mammalian cell lines. Knock down and immunofluorescence experiments suggest that microRNA-protein complexes (with FXR1 and AGO2 are necessary for the translation upregulation. However the molecular mechanism of microRNA translation activation is poorly understood. In this study we constructed the microRNA-mRNA-AGO2-FXR1 quadruple complex by bioinformatics and molecular modeling, followed with all atom molecular dynamics simulations in explicit solvent to investigate the interaction mechanisms for the complex. A combined analysis of experimental and computational data suggests that AGO2-FXR1 complex relocalize microRNA:mRNA duplex to polysomes in G0. The two strands of dsRNA are then separated upon binding of AGO2 and FXR1. Finally, polysomes may improve the translation efficiency of mRNA. The mutation research confirms the stability of microRNA-mRNA-FXR1 and illustrates importance of key residue of Ile304. This possible mechanism can shed more light on the microRNA-dependent upregulation of translation.

  4. Colloid retention mechanisms in single, saturated, variable-aperture fractures. (United States)

    Rodrigues, S N; Dickson, S E; Qu, J


    The characterization of fractured aquifers is commonly limited to the methodologies developed for unconsolidated porous media aquifers, which results in many uncertainties. Recent work indicates that fractured rocks remove more particulates than they are conventionally credited for. This research was designed to quantify the number of Escherichia coli RS2-GFP retained in single, saturated, variable-aperture fractures extracted from the natural environment. Conservative solute and E. coli RS2-GFP tracer experiments were used to elucidate the relationships between dominant retention mechanisms, aperture field characteristics, and flow rate. A non-destructive method of determining a surrogate measure of a coefficient of variation (COV(S)) for each fracture was used to better understand the transport behaviour of E. coli RS2-GFP. The results from this research all point to the importance of aperture field characterization in understanding the fate and transport of contaminants in fractured aquifers. The mean aperture was a very important characteristic in determining particulate recovery, so were matrix properties, COV(s), and flow rate. It was also determined that attachment is a much more significant retention mechanism than straining under the conditions employed in this research. Finally, it was demonstrated that the dominant retention mechanism in a fracture varies depending on the specific discharge. An improved understanding of the mechanisms that influence the fate and transport of contaminants through fractures will lead to the development of better tools and methodologies for the characterization of fractured aquifers, as well as the ability to manipulate the relevant mechanisms to increase or decrease retention, depending on the application.

  5. Simulating surface-enhanced Raman optical activity using atomistic electrodynamics-quantum mechanical models. (United States)

    Chulhai, Dhabih V; Jensen, Lasse


    Raman optical activity has proven to be a powerful tool for probing the geometry of small organic and biomolecules. It has therefore been expected that the same mechanisms responsible for surface-enhanced Raman scattering may allow for similar enhancements in surface-enhanced Raman optical activity (SEROA). However, SEROA has proved to be an experimental challenge and mirror-image SEROA spectra of enantiomers have so far not been measured. There exists a handful of theories to simulate SEROA, all of which treat the perturbed molecule as a point-dipole object. To go beyond these approximations, we present two new methods to simulate SEROA: the first is a dressed-tensors model that treats the molecule as a point-dipole and point-quadrupole object; the second method is the discrete interaction model/quantum mechanical (DIM/QM) model, which considers the entire charge density of the molecule. We show that although the first method is acceptable for small molecules, it fails for a medium-sized one such as 2-bromohexahelicene. We also show that the SEROA mode intensities and signs are highly sensitive to the nature of the local electric field and gradient, the orientation of the molecule, and the surface plasmon frequency width. Our findings give some insight into why experimental SEROA, and in particular observing mirror-image SEROA for enantiomers, has been difficult.

  6. Mechanical Behavior of Carbon Nanotubes Filled With Metal Nanowires By Atomistic Simulations (United States)

    Danailov, Daniel; Keblinski, Pawel; Pulickel, Ajayan; Nayak, Saroj


    Using molecular dynamics simulations we studied mechanical behavior of (10,10) carbon nanotubes filled with a crystalline fcc metal wires. The interatomic interactions were described by a combination of Terfoff’s bond-order potential for carbon, embedded atom method (EAM) potential for metal and pair potential for carbon-metal interactions. The elastic properties, as well as failure mechanism were determined by simulating three point bending test, by pressing the center and the ends of relatively long tube in determined relatively small ring areas. We observed that following elastic response, at larger deformation, the metal wire yields well before the carbon bonding is affected. The behavior of filled tubes was compared with that of hollow tubes. Interesting is thet the hollow carbon (10,10) nanotube is more strong elastically than the same tube filled with Au-metal nanowire. We also simulated indentation of filled tubes residing on a hard flat surface. Similarly as in the bending test, metal wire yields first, is cut in between hard cylinder and hard plane and pushed away from under the indenter. Upon further increase of the indentation force, carbon tube is broken and forms two open ends that are rapidly zipped around the cut metal wire. Remarkably, the shape of the zipped tube ends strong depend of the speed of the punching of the tube. This result imply a possibility of designing tubes with various closed end shapes with applicationusing in the nanoscale manipulation procedures used for production.

  7. Atomistic mechanism of charge separation upon photoexcitation at the dye-semiconductor interface for photovoltaic applications. (United States)

    Jiao, Yang; Ding, Zijing; Meng, Sheng


    Charge separation in excited states upon visible light absorption is a central process in photovoltaic solar cell applications. Employing state-of-the-art first principles calculations based on time-dependent density functional theory (TDDFT), we simulate electron-hole dynamics in real time and illustrate the microscopic mechanism of charge separation at the interface between organic dye molecules and oxide semiconductor surfaces in dye-sensitized solar cells. We found that electron-hole separation proceeds non-adiabatically on an ultrafast timescale <100 fs at an anthocyanin/TiO(2) interface, and it is strongly mediated by the vibrations of interface Ti-O bonds, which anchor the dye onto the TiO(2) surface. The obtained absorption spectrum and electron injection timescale agree with experimental measurements.

  8. Interaction of hydraulic and buckling mechanisms in blowout fractures. (United States)

    Nagasao, Tomohisa; Miyamoto, Junpei; Jiang, Hua; Tamaki, Tamotsu; Kaneko, Tsuyoshi


    The etiology of blowout fractures is generally attributed to 2 mechanisms--increase in the pressure of the orbital contents (the hydraulic mechanism) and direct transmission of impacts on the orbital walls (the buckling mechanism). The present study aims to elucidate whether or not an interaction exists between these 2 mechanisms. We performed a simulation experiment using 10 Computer-Aided-Design skull models. We applied destructive energy to the orbits of the 10 models in 3 different ways. First, to simulate pure hydraulic mechanism, energy was applied solely on the internal walls of the orbit. Second, to simulate pure buckling mechanism, energy was applied solely on the inferior rim of the orbit. Third, to simulate the combined effect of the hydraulic and buckling mechanisms, energy was applied both on the internal wall of the orbit and inferior rim of the orbit. After applying the energy, we calculated the areas of the regions where fracture occurred in the models. Thereafter, we compared the areas among the 3 energy application patterns. When the hydraulic and buckling mechanisms work simultaneously, fracture occurs on wider areas of the orbital walls than when each of these mechanisms works separately. The hydraulic and buckling mechanisms interact, enhancing each other's effect. This information should be taken into consideration when we examine patients in whom blowout fracture is suspected.

  9. Theoretical Analysis of the Mechanism of Fracture Network Propagation with Stimulated Reservoir Volume (SRV) Fracturing in Tight Oil Reservoirs. (United States)

    Su, Yuliang; Ren, Long; Meng, Fankun; Xu, Chen; Wang, Wendong


    Stimulated reservoir volume (SRV) fracturing in tight oil reservoirs often induces complex fracture-network growth, which has a fundamentally different formation mechanism from traditional planar bi-winged fracturing. To reveal the mechanism of fracture network propagation, this paper employs a modified displacement discontinuity method (DDM), mechanical mechanism analysis and initiation and propagation criteria for the theoretical model of fracture network propagation and its derivation. A reasonable solution of the theoretical model for a tight oil reservoir is obtained and verified by a numerical discrete method. Through theoretical calculation and computer programming, the variation rules of formation stress fields, hydraulic fracture propagation patterns (FPP) and branch fracture propagation angles and pressures are analyzed. The results show that during the process of fracture propagation, the initial orientation of the principal stress deflects, and the stress fields at the fracture tips change dramatically in the region surrounding the fracture. Whether the ideal fracture network can be produced depends on the geological conditions and on the engineering treatments. This study has both theoretical significance and practical application value by contributing to a better understanding of fracture network propagation mechanisms in unconventional oil/gas reservoirs and to the improvement of the science and design efficiency of reservoir fracturing.

  10. Theoretical Analysis of the Mechanism of Fracture Network Propagation with Stimulated Reservoir Volume (SRV Fracturing in Tight Oil Reservoirs.

    Directory of Open Access Journals (Sweden)

    Yuliang Su

    Full Text Available Stimulated reservoir volume (SRV fracturing in tight oil reservoirs often induces complex fracture-network growth, which has a fundamentally different formation mechanism from traditional planar bi-winged fracturing. To reveal the mechanism of fracture network propagation, this paper employs a modified displacement discontinuity method (DDM, mechanical mechanism analysis and initiation and propagation criteria for the theoretical model of fracture network propagation and its derivation. A reasonable solution of the theoretical model for a tight oil reservoir is obtained and verified by a numerical discrete method. Through theoretical calculation and computer programming, the variation rules of formation stress fields, hydraulic fracture propagation patterns (FPP and branch fracture propagation angles and pressures are analyzed. The results show that during the process of fracture propagation, the initial orientation of the principal stress deflects, and the stress fields at the fracture tips change dramatically in the region surrounding the fracture. Whether the ideal fracture network can be produced depends on the geological conditions and on the engineering treatments. This study has both theoretical significance and practical application value by contributing to a better understanding of fracture network propagation mechanisms in unconventional oil/gas reservoirs and to the improvement of the science and design efficiency of reservoir fracturing.

  11. Mechanisms of radiation strengthening in Fe–Cr alloys as revealed by atomistic studies

    Energy Technology Data Exchange (ETDEWEB)

    Terentyev, D.; Bonny, G. [Structural Materials Modelling and Microstructure Unit, SMA/NMS, Studiecentrum voor Kernenergie, Centre d’Etudes de l’Energie Nucléaire (SCK-CEN), Boeretang 200, 2400 Mol (Belgium); Domain, C.; Monnet, G. [EDF-R and D, Département MMC, Les Renardières, 77818 Moret sur Loing Cedex (France); Malerba, L., E-mail: [Structural Materials Modelling and Microstructure Unit, SMA/NMS, Studiecentrum voor Kernenergie, Centre d’Etudes de l’Energie Nucléaire (SCK-CEN), Boeretang 200, 2400 Mol (Belgium)


    A review of experimental results shows that the dependence on Cr content of radiation-induced strengthening in Fe–Cr alloys and ferritic/martensitic steels is peculiar, exhibiting an increase as soon as Cr is added, followed by a local maximum and then a local minimum. This dependence is to date unexplained. In this paper we try to rationalise it, by reviewing recent (published and unpublished) molecular dynamics simulations work, devoted to the investigation of several possible mechanisms of radiation strengthening in Fe–Cr. In particular, the following questions are addressed quantitatively: (i) Does Cr influence the glide of dislocations? If so, how? (ii) Does Cr influence the interaction between dislocations and radiation-produced defects? If so, why? The latter question involves also a study of the interaction of moving dislocations with experimentally observed Cr-enriched loops. We find that the fact of shifting from a loop-absorption (pure Fe) to a loop-non-absorption (Fe–Cr) regime, because of the Cr–enrichment of loops, contributes to explaining why Fe–Cr alloys harden more under irradiation than Fe. If, in addition, the existence of a large density of invisible and Cr-enriched loops is postulated, the origin of the effect becomes even more clear. Moreover, the different strength of 〈1 1 1〉 and 〈1 0 0〉 loops as obstacles to dislocations movement, depending on whether or not loop absorption can occur, might explain why radiation strengthening decreases between 2% and 9%Cr. The formation of α′ precipitates, on the other hand, explains why radiation strengthening increases again above 9%Cr. Altogether, these effects might explain the origin of the minimum of radiation-induced embrittlement at 9%Cr, as correlated to strengthening.

  12. Toughness of carbon nanotubes conforms to classic fracture mechanics. (United States)

    Yang, Lin; Greenfeld, Israel; Wagner, H Daniel


    Defects in crystalline structure are commonly believed to degrade the ideal strength of carbon nanotubes. However, the fracture mechanisms induced by such defects, as well as the validity of solid mechanics theories at the nanoscale, are still under debate. We show that the fracture toughness of single-walled nanotubes (SWNTs) conforms to the classic theory of fracture mechanics, even for the smallest possible vacancy defect (~2 Å). By simulating tension of SWNTs containing common types of defects, we demonstrate how stress concentration at the defect boundary leads to brittle (unstable) fracturing at a relatively low strain, degrading the ideal strength of SWNTs by up to 60%. We find that, owing to the SWNT's truss-like structure, defects at this scale are not sharp and stress concentrations are finite and low. Moreover, stress concentration, a geometric property at the macroscale, is interrelated with the SWNT fracture toughness, a material property. The resulting SWNT fracture toughness is 2.7 MPa m(0.5), typical of moderately brittle materials and applicable also to graphene.

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

    Energy Technology Data Exchange (ETDEWEB)

    Kadiri, I


    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

  14. A Fracture Mechanical Model and a Cohesive Zone Model of Interface Fracture

    DEFF Research Database (Denmark)

    Jensen, Henrik Myhre


    A comparison between the prediction of crack propagation through an adhesive interface based on a fracture mechanics approach and a cohesive zone approach is presented. Attention is focussed on predicting the shape of the crack front and the critical stress required to propagate the crack under...... quasi-static conditions. The cohesive zone model has several advantages over the fracture mechanics based model. It is easier to generalise the cohesive zone model to take into account effects such as plastic deformation in the adherends, and to take into account effects of large local curvatures...... of the interface crack front. The comparison shows a convergence of the results based on the cohesive zone model towards the results based on a fracture mechanics approach in the limit where the size of the cohesive zone becomes smaller than other relevant geometrical lengths for the problem....

  15. Fracture mechanics life analytical methods verification testing (United States)

    Favenesi, J. A.; Clemons, T. G.; Riddell, W. T.; Ingraffea, A. R.; Wawrzynek, P. A.


    The objective was to evaluate NASCRAC (trademark) version 2.0, a second generation fracture analysis code, for verification and validity. NASCRAC was evaluated using a combination of comparisons to the literature, closed-form solutions, numerical analyses, and tests. Several limitations and minor errors were detected. Additionally, a number of major flaws were discovered. These major flaws were generally due to application of a specific method or theory, not due to programming logic. Results are presented for the following program capabilities: K versus a, J versus a, crack opening area, life calculation due to fatigue crack growth, tolerable crack size, proof test logic, tearing instability, creep crack growth, crack transitioning, crack retardation due to overloads, and elastic-plastic stress redistribution. It is concluded that the code is an acceptable fracture tool for K solutions of simplified geometries, for a limited number of J and crack opening area solutions, and for fatigue crack propagation with the Paris equation and constant amplitude loads when the Paris equation is applicable.

  16. Relating Cohesive Zone Model to Linear Elastic Fracture Mechanics (United States)

    Wang, John T.


    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. Fracture mechanisms in biopolymer films using coupling of mechanical analysis and high speed visualization technique

    NARCIS (Netherlands)

    Paes, S.S.; Yakimets, I.; Wellner, N.; Hill, S.E.; Wilson, R.H.; Mitchell, J.R.


    The aim of this study was to provide a detailed description of the fracture mechanisms in three different biopolymer thin materials: gelatin, hydroxypropyl cellulose (HPC) and cassava starch films. That was achieved by using a combination of fracture mechanics methodology and in situ visualization w

  18. Mechanical transport in two-dimensional networks of fractures

    Energy Technology Data Exchange (ETDEWEB)

    Endo, H.K.


    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.

  19. Hierarchical Statistical 3D ' Atomistic' Simulation of Decanano MOSFETs: Drift-Diffusion, Hydrodynamic and Quantum Mechanical Approaches (United States)

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


    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

  20. Measurements of residual stress in fracture mechanics coupons

    Energy Technology Data Exchange (ETDEWEB)

    Prime, Michael B [Los Alamos National Laboratory; Hill, Michael R [U.C. DAVIS; Nav Dalen, John E [HILL ENGINEERING


    This paper describes measurements of residual stress in coupons used for fracture mechanics testing. The primary objective of the measurements is to quantify the distribution of residual stress acting to open (and/or close) the crack across the crack plane. The slitting method and the contour method are two destructive residual stress measurement methods particularly capable of addressing that objective, and these were applied to measure residual stress in a set of identically prepared compact tension (C(T)) coupons. Comparison of the results of the two measurement methods provides some useful observations. Results from fracture mechanics tests of residual stress bearing coupons and fracture analysis, based on linear superposition of applied and residual stresses, show consistent behavior of coupons having various levels of residual stress.

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

    CERN Document Server

    Kuna, Meinhard


    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.

  2. 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)


    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.

  3. A Fracture Probability Competition Mechanism of Stress Corrosion Cracking

    Institute of Scientific and Technical Information of China (English)

    Yanliang HUANG


    The stress corrosion cracking (SCC) of austenitic stainless steel was studied via polarization,slow strain rate and scanning electron microscope (SEM) techniques. Many SCC mechanisms have been proposed in which hydrogen embrittlement and passive film rupture-repassivation theories are generally accepted, but they can hardly explain the SCC mechanism of austenitic stainless steel in acidic chloride solution adequately, because the steel is in active dissolution state and cathodic polarization can prevent it from occurring. Our experiment shows that the anodic current increases the creep rate and decreases the plastic strength of the material on single smooth specimen as well as at the SCC crack tip. The fractured surface was characterized as brittle cleavage, while the surface crack of smooth specimen was almost vertical to the tensile strength, which can confirm that the cracks were caused by tensile stresses. A fracture probability competition mechanism of SCC was proposed on the basis of the experimental results combined with the viewpoint of ductile-brittle fracture competition. When the anodic dissolution current is increased to a certain degree, the probability of fracture by tensile stress will exceed that by shear stress, and the brittle fracture will occur. The proposed SCC mechanism can not only explain the propagation of SCC cracks but can explain the crack initiation as well. The strain on the surface distributes unevenly when a smooth specimen is deformed, so does the anodic current distribution. The crack will initiate at a point where the anodic current density is large enough to cause the material at a specific point to fracture in brittle manner.

  4. Rheology and Fracture Mechanics of Foods

    NARCIS (Netherlands)

    Vliet, van T.


    The mechanical properties of food play an important role during manufacturing, storage, handling, and last but not least, during consumption. For an adequate understanding of the mechanical properties of liquid, liquid-like, soft solid, and solid foods, a basic understanding of relevant aspects of r

  5. Coupled phenomenological and fracture mechanics approach to assess the fracture behaviour of TWC piping component

    Energy Technology Data Exchange (ETDEWEB)

    Saxena, Sanjeev, E-mail: [Advanced Materials and Processes Research Institute (AMPRI), CSIR Concern, Hoshangabad Road, Bhopal 462026 (India); Ramakrishnan, N. [Advanced Materials and Processes Research Institute (AMPRI), CSIR Concern, Hoshangabad Road, Bhopal 462026 (India); Chouhan, J.S. [Civil Engineering Department, Samrat Ashok Technological Institute, Vidisha (India)


    The present study demonstrates the numerical prediction of experimental specimen J-R curve using Gurson-Tvergaard-Needleman phenomenologically based material model. The predicted specimen J-R curve is used to determine the geometric independent initiation fracture toughness (J{sub SZWc}) value that compares well with experimental result. Using the experimentally determined and numerically predicted J{sub SZWc} values and specimen J-R curves, the accuracy of predicting the fracture behaviour of the cracked component is judged. Thus the present study proposed a coupled phenomenological and fracture mechanics approach to predict the crack initiation and instability stages in cracked piping components using numerically predicted specimen J-R curve obtained from tensile specimens testing data.

  6. Fracture Mechanics of an Elastic Softening Material like Concrete

    NARCIS (Netherlands)

    Reinhardt, H.W.


    Concrete is modelled as a linear elastic softening material and introduced into fracture mechanics. A discrete crack is considered with softening zones at the crack tips. Following the approach of Dugdale/Barenblatt, closing stresses are applied to the crack faces in the softening zone. The stresses

  7. Fracture mechanics applied to the machining of brittle materials

    Energy Technology Data Exchange (ETDEWEB)

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


    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.

  8. Hydrogen Embrittlement - Loading Rate Effects in Fracture Mechanics Testing

    NARCIS (Netherlands)

    Koers, R.W.J.; Krom, A.H.M.; Bakker, A.


    The fitness for purpose methodology is more and more used in the oil and gas industry to evaluate the significance of pre-existing flaws and material deficiencies with regard to the suitability of continued operation of equipment. In this methodology, traditional fracture mechanics is integrated wit

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

    Energy Technology Data Exchange (ETDEWEB)

    McConnell, P.; Sorenson, K. [Sandia National Labs., Albuquerque (United States); Nickell, R. [Applied Science and Technology, Poway (United States); Saegusa, T. [Central Research Inst. for Electric Power Industry, Abiko (Japan)


    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.

  10. Unique mechanism of chance fracture in a young adult male. (United States)

    Birch, Aaron; Walsh, Ryan; Devita, Diane


    Since the first description of the Chance fracture in 1948, there have been few case reports of unique mechanisms causing this classical flexion-extension injury to the spine in motor vehicle accidents, sports injury, and falls. To our knowledge, this injury has not been reported from a fall with the mechanistic forces acting laterally on the spine and with spinal support in place. We present a 21-year-old male who slid down a flight of stairs onto his side wearing a heavy mountaineering style backpack, subsequently sustaining a Chance fracture of his first lumbar vertebrae.

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

    Directory of Open Access Journals (Sweden)

    Aaron Birch


    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.

  12. Application of fracture mechanics to materials and structures

    Energy Technology Data Exchange (ETDEWEB)

    Sih, G.C.; Sommer, E.; Dahl, W.


    The general theme is the interplay between material and design requirements, and this was underlined in many of the technical presentations. A panel discussion further clarified the objectives of fracture mechanics as a discipline and tool to guard structural and machine components against premature failure. Numerical and experimental techniques were shown to be essential in compiling laboratory data on fracture testing, and the need for the development of rational procedures to ensure safety and reliability in the design of modern structures was very strongly emphasized.

  13. 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)


    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.

  14. Formative mechanism of intracanal fracture fragments in thoracolumbar burst fractures: a finite element study

    Institute of Scientific and Technical Information of China (English)

    ZENG Zhi-li; ZHU Rui; LI Shan-zhu; YU Yan; WANG Jian-jie; JIA Yong-wei; CHEN Bo


    Background Thoracolumbar burst fracture is a common clinical injury,and the fracture mechanism is still controversial.The aim of this research was to study the formation of intracanal fracture fragments in thoracolumbar burst fractures and to provide information for the prevention of thoracolumbar bursts fractures and reduction of damage to the nervous system.Methods A nonlinear three-dimensional finite element model of T11-L3 segments was established,and the injury processes of thoracolumbar bursts were simulated.The intact finite element model and the finite element model after the superior articular were impacted by 100 J of energy in different directions.The distribution and variation of stress in the superior posterior region of the L1 vertebral body were analyzed.Abaqus 6.9 explicit dynamic solver was used as finite element software in calculations.Results A three-dimensional nonlinear finite element model of the thoracolumbar spine was created.In the intact model,stress was concentrated in the superior posterior region of the L1 vertebral body.The stress peak was a maximum for the extension impact load and a minimum for the flexion impact load.The stress peak and contact force in the facet joint had close correlation with time.The stress peak disappeared after excision of the superior articular process.Conclusions The three-dimensional nonlinear finite element model was suitable for dynamic analysis.The contact force in the facet joint,which can be transferred to the superior posterior vertebral body,may explain the spinal canal fragment in thoracolumbar burst fractures.

  15. Atomistic Conversion Reaction Mechanism of WO 3 in Secondary Ion Batteries of Li, Na, and Ca

    Energy Technology Data Exchange (ETDEWEB)

    He, Yang [Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pittsburgh PA 15261 USA; Gu, Meng [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA 99352 USA; Xiao, Haiyan [School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054 China; Luo, Langli [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA 99352 USA; Shao, Yuyan [Energy and Environmental Directorate, Pacific Northwest National Laboratory, Richland WA 99352 USA; Gao, Fei [Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor MI 48109 USA; Du, Yingge [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA 99352 USA; Mao, Scott X. [Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pittsburgh PA 15261 USA; Wang, Chongmin [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA 99352 USA


    Reversible insertion and extraction of ionic species into a host lattice governs the basic operating principle for both rechargeable battery (such as lithium batteries) and electrochromic devices (such as ANA Boeing 787-8 Dreamliner electrochromic window). Intercalation and/or conversion are two fundamental chemical processes for some materials in response to the ion insertion. The interplay between these two chemical processes has never been established. It is speculated that the conversion reaction is initiated by ion intercalation. However, experimental evidence of intercalation and subsequent conversion remains unexplored. Here, using in situ HRTEM and spectroscopy, we captured the atomistic conversion reaction processes during lithium, sodium and calcium ion insertion into tungsten trioxide (WO3) single crystal model electrodes. An intercalation step right prior to conversion is explicitly revealed at atomic scale for the first time for these three ion species. Combining nanoscale diffraction and ab initio molecular dynamics simulations, it is found that, beyond intercalation, the inserted ion-oxygen bonding formation destabilized the transition-metal framework which gradually shrunk, distorted and finally collapsed to a pseudo-amorphous structure. This study provides a full atomistic picture on the transition from intercalation to conversion, which is of essential for material applications in both secondary ion batteries and electrochromic devices.

  16. Atomistic Properties of Solids

    CERN Document Server

    Sirdeshmukh, Dinker B; Subhadra, K G


    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.

  17. Fracture mechanics safety assessment based on mechanics of materials. Werkstoffmechanische Grundlagen bruchmechanischer Sicherheitsanalysen

    Energy Technology Data Exchange (ETDEWEB)

    Roos, E.; Demler, T.; Eisele, U.; Gillot, R. (Stuttgart Univ. (Germany). Staatliche Materialpruefungsanstalt)


    Investigations are reported of pressure vessel and piping steels (22 NiMoCr 3 7) of various toughness and strength, for determining the influence of the testing temperature on fracture-mechanical characteristics with regard to static and dynamic crack initiation, crack growth and crack stop. The tests have been made in a temperature range where both linear-elastic and elastic-plastic materials behaviour is possible. Within the linear-elastic fracture-mechanical regime, the conservativity of the limiting curves given in American and German technical codes and standards have been confirmed. Within the regime of upper-shelf toughness, where characteristics of elastic-plastic fracture-mechanical behaviour are to be used for analysis, application of the limiting curves given in standards leads to an overassessment of real fracture-mechanical characteristics. (orig./DG).

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

    Directory of Open Access Journals (Sweden)

    Sorochak Andriy


    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.

  19. Therapeutic ultrasound in fracture healing: The mechanism of osteoinduction

    Directory of Open Access Journals (Sweden)

    John P


    Full Text Available Background: Ultrasound has been used therapeutically for accelerating fracture healing since many years. However, the controversy on the exact mechanism of osteoinduction still continues. In this study, we try to bring out the exact biomolecular mechanism by which ultrasound induces fracture healing. Materials and Methods: The study was conducted in two phases: animal experiments and clinical study. In the first phase, we induced fractures on the left tibia of Wistar strain rats under anaesthesia. They were divided into two groups. One of the groups was given low-intensity, pulsed ultrasound (30 MW/cm 2 20 min a day for 10 days. Tissue samples and radiographs were taken weekly for 3 weeks from both the groups. In the second phase of our study, ten patients with fractures of the distal end of the radius (ten fractures were included. Five of these were treated as cases, and five were treated as controls. Ultrasound was given 30 MW/cm 2 for 20 min every day for 2 weeks. The patients were assessed radiologically and sonologically before and after ultrasound therapy. Tissue samples were studied with thymidine incorporation test with and without adding various neurotransmitter combinations. Results: Radiological findings revealed that there was an increased callus formation in the ultrasound group. At the cellular level, there was an increased thymidine incorporation in the ultrasound group. When various neurotransmitters were added to the cells, there was an increased thymidine incorporation in the ultrasound group. In the second phase of the study, radiological and sonological assessments showed that there was an increased callus formation in the ultrasound group. In cytological study, thymidine incorporation was found to be increased in the ultrasound group. Conclusions: The results of animal and clinical studies demonstrated an early and increased callus formation in the ultrasound group. Cytological studies revealed increased thymidine

  20. Quantitative NDI integration with probabilistic fracture mechanics for the assessment of fracture risk in pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Kurz, Jochen H.; Cioclov, Dragos; Dobmann, Gerd; Boiler, Christian [Fraunhofer Inst. fuer Zerstoerungsfreie Pruefverfahren (IZFP), Saarbruecken (Germany)


    In the context of probabilistic paradigm of fracture risk assessment in structural components a computer simulation rationale is presented which has at the base the integration of Quantitative Non-destructive Inspection and Probabilistic Fracture Mechanics. In this study the static failure under static loading is assessed in the format known as Failure Assessment Diagram (FAD). The key concept in the analysis is the stress intensity factor (SIF) which accounts on the geometry of the component and the size of a pre-existent defect of a crack nature. FAD assessments can be made in deterministic sense, which yields the end result in dual terms of fail/not-fail. The fracture risk is evaluated in probabilistic terms. The superposed probabilistic pattern over the deterministic one (in mean sense) is implemented via Monte-Carlo sampling. The probabilistic fracture simulation yields a more informative analysis in terms of probability of failure. An important feature of the PVrisk software is the ability to simulate the influence of the quality and reliability of non-destructive inspection (NDI). It is achieved by integrating, algorithmically. probabilistic FAD analysis and the Probability of Detection (POD). The POD information can only be applied in a probabilistic analysis and leads to a refinement of the assessment. By this means, it can be ascertained the decrease of probability of failure (increase of reliability) when POD-characterized NDI is applied. Therefore, this procedure can be used as a tool for inspection based life time conceptions. In this paper results of sensitivity analyses of the fracture toughness are presented with the aim to outline, in terms of non-failure probabilities, the benefits of applying NDI, in various qualities, in comparison with the situation when NDI is lacking. (orig.)

  1. Mechanics of materials: Top-down approaches to fracture

    Energy Technology Data Exchange (ETDEWEB)

    Hutchinson, J.W.; Evans, A.G.


    The utility and robustness of the mechanics of materials is illustrated through a review of several recent applications to fracture phenomena, including adhesive failures, the role of plasticity in enhancing toughness in films and multilayers, and crack growth resistance in ductile structural alloys. The commonalty among the approaches rests in a reliance on experiments to provide calibration of the failure process at the smallest scale.

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

    Energy Technology Data Exchange (ETDEWEB)

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


    PNC provided SUS 304 plate to be irradiated in FFTF at about 400/sup 0/C to a target fluence of 5 x 10/sup 21/ n/cm/sup 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.

  3. Wide-range displacement expressions for standard fracture mechanics specimens (United States)

    Kapp, J. A.; Gross, B.; Leger, G. S.


    Wide-range algebraic expressions for the displacement of cracked fracture mechanics specimens are developed. For each specimen two equations are given: one for the displacement as a function of crack length, the other for crack length as a function of displacement. All the specimens that appear in ASTM Test for Plane-Strain Fracture Toughness of Metallic Materials (E 399) are represented in addition to the crack mouth displacement for a pure bending specimen. For the compact tension sample and the disk-shaped compact tension sample, the displacement at the crack mouth and at the load line are both considered. Only the crack mouth displacements for the arc-shaped tension samples are presented. The agreement between the displacements or crack lengths predicted by the various equations and the corresponding numerical data from which they were developed are nominally about 3 percent or better. These expressions should be useful in all types of fracture testing including fracture toughness, K-resistance, and fatigue crack growth.

  4. Water coning mechanism in Tarim fractured sandstone gas reservoirs

    Institute of Scientific and Technical Information of China (English)

    沈伟军; 刘晓华; 李熙喆; 陆家亮


    The problem of water coning into the Tarim fractured sandstone gas reservoirs becomes one of the major concerns in terms of productivity, increased operating costs and environmental effects. Water coning is a phenomenon caused by the imbalance between gravity and viscous forces around the completion interval. There are several controllable and uncontrollable parameters influencing this problem. In order to simulate the key parameters affecting the water coning phenomenon, a model was developed to represent a single well with an underlying aquifer using the fractured sandstone gas reservoir data of the A-Well in Dina gas fields. The parametric study was performed by varying six properties individually over a representative range. The results show that matrix permeability, well penetration (especially fracture permeability), vertical-to-horizontal permeability ratio, aquifer size and gas production rate have considerable effect on water coning in the fractured gas reservoirs. Thus, investigation of the effective parameters is necessary to understand the mechanism of water coning phenomenon. Simulation of the problem helps to optimize the conditions in which the breakthrough of water coning is delayed.

  5. 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)


    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.

  6. Scalability of a Low-Cost Multi-Teraflop Linux Cluster for High-End Classical Atomistic and Quantum Mechanical Simulations (United States)

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


    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.

  7. Multiscale Modeling of Intergranular Fracture in Aluminum: Constitutive Relation For Interface Debonding (United States)

    Yamakov, V.; Saether, E.; Glaessgen, E. H.


    Intergranular fracture is a dominant mode of failure in ultrafine grained materials. In the present study, the atomistic mechanisms of grain-boundary debonding during intergranular fracture in aluminum are modeled using a coupled molecular dynamics finite element simulation. Using a statistical mechanics approach, a cohesive-zone law in the form of a traction-displacement constitutive relationship, characterizing the load transfer across the plane of a growing edge crack, is extracted from atomistic simulations and then recast in a form suitable for inclusion within a continuum finite element model. The cohesive-zone law derived by the presented technique is free of finite size effects and is statistically representative for describing the interfacial debonding of a grain boundary (GB) interface examined at atomic length scales. By incorporating the cohesive-zone law in cohesive-zone finite elements, the debonding of a GB interface can be simulated in a coupled continuum-atomistic model, in which a crack starts in the continuum environment, smoothly penetrates the continuum-atomistic interface, and continues its propagation in the atomistic environment. This study is a step towards relating atomistically derived decohesion laws to macroscopic predictions of fracture and constructing multiscale models for nanocrystalline and ultrafine grained materials.

  8. Thermal-mechanical coupled effect on fracture mechanism and plastic characteristics of sandstone

    Institute of Scientific and Technical Information of China (English)

    ZUO; JianPing; XIE; HePing; ZHOU; HongWei; PENG; SuPing


    Scanning electronic microscopy (SEM) was employed to investigate fractographs of sandstone in mine roof strata under thermal-mechanical coupled effect. Based on the evolution of sandstone surface morphology in the failure process and fractography, the fracture mechanism was studied and classified under meso and micro scales, respectively. The differences between fractographs under different temperatures were examined in detail. Under high temperature, fatigue fracture and plastic deformation occurred in the fracture surface. Therefore, the temperature was manifested by these phenomena to influence strongly on micro failure mechanism of sandstone. In addition, the failure mechanism would transit from brittle failure mechanism at low temperature to coupled brittle-ductile failure mechanism at high temperature. The variation of sandstone strength under different temperature can be attributed to the occurrence of plastic deformation, fatigue fracture, and microcracking. The fatigue striations in the fracture surfaces under high temperature may be interpreted as micro fold. And the coupled effect of temperature and tensile stress may be another formation mechanism of micro fold in geology.

  9. Mechanical and fracture behavior of calcium phosphate cements (United States)

    Jew, Victoria Chou

    Apatite-based calcium phosphate cements are currently employed to a limited extent in the biomedical and dental fields. They present significant potential for a much broader range of applications, particularly as a bone mineral substitute for fracture fixation. Specifically, hydroxyapatite (HA) is known for its biocompatibility and non-immunogenicity, attributed to its similarity to the mineral phase of natural bone. The advantages of a cement-based HA include injectability, greater resorbability and osteoconductivity compared to sintered HA, and an isothermal cement-forming reaction that avoids necrosis during cement setting. Although apatite cements demonstrate good compressive strength, tensile properties are very weak compared to natural bone. Applications involving normal weight-bearing require better structural integrity than apatite cements currently provide. A more thorough understanding of fracture behavior can elucidate failure mechanisms and is essential for the design of targeted strengthening methods. This study investigated a hydroxyapatite cement using a fracture mechanics approach, focusing on subcritical crack growth properties. Subcritical crack growth can lead to much lower load-bearing ability than critical strength values predict. Experiments show that HA cement is susceptible to crack growth under both cyclic fatigue-crack growth and stress corrosion cracking conditions, but only environmental, not mechanical, mechanisms contribute to crack extension. This appears to be the first evidence ever presented of stress corrosion crack growth behavior in calcium phosphate cements. Stress corrosion cracking was examined for a range of environmental conditions. Variations in pH have surprisingly little effect. Behavior in water at elevated temperature (50°C) is altered compared to water at ambient temperature (22°C), but only for crack-growth velocities below 10-7 m/s. However, fracture resistance of dried HA cement in air increases significantly

  10. The Shear Mechanisms of Natural Fractures during the Hydraulic Stimulation of Shale Gas Reservoirs

    Directory of Open Access Journals (Sweden)

    Zhaobin Zhang


    Full Text Available The shearing of natural fractures is important in the permeability enhancement of shale gas reservoirs during hydraulic fracturing treatment. In this work, the shearing mechanisms of natural fractures are analyzed using a newly proposed numerical model based on the displacement discontinuities method. The fluid-rock coupling system of the model is carefully designed to calculate the shearing of fractures. Both a single fracture and a complex fracture network are used to investigate the shear mechanisms. The investigation based on a single fracture shows that the non-ignorable shearing length of a natural fracture could be formed before the natural fracture is filled by pressurized fluid. Therefore, for the hydraulic fracturing treatment of the naturally fractured shale gas reservoirs, the shear strength of shale is generally more important than the tensile strength. The fluid-rock coupling propagation processes of a complex fracture network are simulated under different crustal stress conditions and the results agree well with those of the single fracture. The propagation processes of complex fracture network show that a smaller crustal stress difference is unfavorable to the shearing of natural fractures, but is favorable to the formation of complex fracture network.

  11. Measurement of residual stresses using fracture mechanics weight functions

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Y. [Bettis Atomic Power Laboratory, West Mifflin, PA (United States)


    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)

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

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Yoon Suk; Lee, Dock Jin; Choi, Shin Beom; Kim, Sun Hye; Cho, Doo Ho; Lee, Hyun Boo [Sungkyunkwan University, Seoul (Korea, Republic of)


    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

  13. Mechanical design optimization of bioabsorbable fixation devices for bone fractures. (United States)

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


    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.

  14. Mechanical Properties, Damage and Fracture Mechanisms of Bulk Metallic Glass Materials

    Institute of Scientific and Technical Information of China (English)


    The deformation, damage, fracture, plasticity and melting phenomenon induced by shear fracture were investigated and summarized for Zr-, Cu-, Ti- and Mg-based bulk metallic glasses (BMGs) and their composites. The shear fracture angles of these BMG materials often display obvious differences under compression and tension,and follow either the Mohr-Coulomb criterion or the unified tensile fracture criterion. The compressive plasticity of the composites is always higher than the tensile plasticity, leading to a significant inconsistency. The enhanced plasticity of BMG composites containing ductile dendrites compared to monolithic glasses strongly depends on the details of the microstructure of the composites. A deformation and damage mechanism of pseudo-plasticity, related to local cracking, is proposed to explain the inconsistency of plastic deformation under tension and compression. Besides, significant melting on the shear fracture surfaces was observed. It is suggested that melting is a common phenomenon in these materials with high strength and high elastic energy, as it is typical for BMGs and their composites failing under shear fracture. The melting mechanism can be explained by a combined effect of a significant temperature rise in the shear bands and the instantaneous release of the large amount of elastic energy stored in the material.

  15. Survival Predictions of Ceramic Crowns Using Statistical Fracture Mechanics. (United States)

    Nasrin, S; Katsube, N; Seghi, R R; Rokhlin, S I


    This work establishes a survival probability methodology for interface-initiated fatigue failures of monolithic ceramic crowns under simulated masticatory loading. A complete 3-dimensional (3D) finite element analysis model of a minimally reduced molar crown was developed using commercially available hardware and software. Estimates of material surface flaw distributions and fatigue parameters for 3 reinforced glass-ceramics (fluormica [FM], leucite [LR], and lithium disilicate [LD]) and a dense sintered yttrium-stabilized zirconia (YZ) were obtained from the literature and incorporated into the model. Utilizing the proposed fracture mechanics-based model, crown survival probability as a function of loading cycles was obtained from simulations performed on the 4 ceramic materials utilizing identical crown geometries and loading conditions. The weaker ceramic materials (FM and LR) resulted in lower survival rates than the more recently developed higher-strength ceramic materials (LD and YZ). The simulated 10-y survival rate of crowns fabricated from YZ was only slightly better than those fabricated from LD. In addition, 2 of the model crown systems (FM and LD) were expanded to determine regional-dependent failure probabilities. This analysis predicted that the LD-based crowns were more likely to fail from fractures initiating from margin areas, whereas the FM-based crowns showed a slightly higher probability of failure from fractures initiating from the occlusal table below the contact areas. These 2 predicted fracture initiation locations have some agreement with reported fractographic analyses of failed crowns. In this model, we considered the maximum tensile stress tangential to the interfacial surface, as opposed to the more universally reported maximum principal stress, because it more directly impacts crack propagation. While the accuracy of these predictions needs to be experimentally verified, the model can provide a fundamental understanding of the

  16. (Environmental and geophysical modeling, fracture mechanics, and boundary element methods)

    Energy Technology Data Exchange (ETDEWEB)

    Gray, L.J.


    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.

  17. Nonlinear Fracture Mechanics and Plasticity of the Split Cylinder Test

    DEFF Research Database (Denmark)

    Olesen, John Forbes; Østergaard, Lennart; Stang, Henrik


    models are presented, a simple semi-analytical model based on analytical solutions for the crack propagation in a rectangular prismatic body, and a finite element model including plasticity in bulk material as well as crack propagation in interface elements. A numerical study applying these models...... demonstrates the influence of varying geometry or constitutive properties. For a split cylinder test in load control it is shown how the ultimate load is either plasticity dominated or fracture mechanics dominated. The transition between the two modes is related to changes in geometry or constitutive...

  18. Elastic, plastic, and fracture mechanisms in graphene materials. (United States)

    Daniels, Colin; Horning, Andrew; Phillips, Anthony; Massote, Daniel V P; Liang, Liangbo; Bullard, Zachary; Sumpter, Bobby G; Meunier, Vincent


    In both research and industry, materials will be exposed to stresses, be it during fabrication, normal use, or mechanical failure. The response to external stress will have an important impact on properties, especially when atomic details govern the functionalities of the materials. This review aims at summarizing current research involving the responses of graphene and graphene materials to applied stress at the nanoscale, and to categorize them by stress-strain behavior. In particular, we consider the reversible functionalization of graphene and graphene materials by way of elastic deformation and strain engineering, the plastic deformation of graphene oxide and the emergence of such in normally brittle graphene, the formation of defects as a response to stress under high temperature annealing or irradiation conditions, and the properties that affect how, and mechanisms by which, pristine, defective, and polycrystalline graphene fail catastrophically during fracture. Overall we find that there is significant potential for the use of existing knowledge, especially that of strain engineering, as well as potential for additional research into the fracture mechanics of polycrystalline graphene and device functionalization by way of controllable plastic deformation of graphene.

  19. 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


    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.)

  20. Fracture mechanics of piezoelectric solids with interface cracks

    CERN Document Server

    Govorukha, Volodymyr; Loboda, Volodymyr; Lapusta, Yuri


    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...

  1. Effects of Silicon on Mechanical Properties and Fracture Toughness of Heavy-Section Ductile Cast Iron

    Directory of Open Access Journals (Sweden)

    Liang Song


    Full Text Available The effects of silicon (Si on the mechanical properties and fracture toughness of heavy-section ductile cast iron were investigated to develop material for spent-nuclear-fuel containers. Two castings with different Si contents of 1.78 wt.% and 2.74 wt.% were prepared. Four positions in the castings from the edge to the center, with different solidification cooling rates, were chosen for microstructure observation and mechanical properties’ testing. Results show that the tensile strength, elongation, impact toughness and fracture toughness at different positions of the two castings decrease with the decrease in cooling rate. With an increase in Si content, the graphite morphology and the mechanical properties at the same position deteriorate. Decreasing cooling rate changes the impact fracture morphology from a mixed ductile-brittle fracture to a brittle fracture. The fracture morphology of fracture toughness is changed from ductile to brittle fracture. When the Si content exceeds 1.78 wt.%, the impact and fracture toughness fracture morphology transforms from ductile to brittle fracture. The in-situ scanning electronic microscope (SEM tensile experiments were first used to observe the dynamic tensile process. The influence of the vermicular and temper graphite on fracture formation of heavy section ductile iron was investigated.

  2. Probabilistic Fracture Mechanics and Optimum Fracture Control Analytical Procedures for a Reusable Solid Rocket Motor Case (United States)

    Hanagud, S.; Uppaluri, B.


    A methodology for the reliability analysis of a reusable solid rocket motor case is discussed. The analysis is based on probabilistic fracture mechanics and probability distribution for initial flaw sizes. The developed reliability analysis is used to select the structural design variables of the solid rocket motor case on the basis of minimum expected cost and specified reliability bounds during the projected design life of the case. Effects of failure prevention plans such as nondestructive inspection and the material erosion between missions are also considered in the developed procedure for selection of design variables. The reliability-based procedure can be modified to consider other similar structures of reusable space vehicle systems with different failure prevention plans.

  3. Fracture of brittle solids

    CERN Document Server

    Lawn, Brian


    This is an advanced text for higher degree materials science students and researchers concerned with the strength of highly brittle covalent-ionic solids, principally ceramics. It is a reconstructed and greatly expanded edition of a book first published in 1975. The book presents a unified continuum, microstructural and atomistic treatment of modern day fracture mechanics from a materials perspective. Particular attention is directed to the basic elements of bonding and microstructure that govern the intrinsic toughness of ceramics. These elements hold the key to the future of ceramics as high-technology materials--to make brittle solids strong, we must first understand what makes them weak. The underlying theme of the book is the fundamental Griffith energy-balance concept of crack propagation. The early chapters develop fracture mechanics from the traditional continuum perspective, with attention to linear and nonlinear crack-tip fields, equilibrium and non-equilibrium crack states. It then describes the at...

  4. Chemical and Mechanical Alteration of Fractures: Micro-Scale Simulations and Comparison to Experimental Results (United States)

    Ameli, P.; Detwiler, R. L.; Elkhoury, J. E.; Morris, J. P.


    Fractures are often the main pathways for subsurface fluid flow especially in rocks with low matrix porosity. Therefore, the hydro-mechanical properties of fractures are of fundamental concern for subsurface CO2 sequestration, enhanced geothermal energy production, enhanced oil recovery, and nuclear waste disposal. Chemical and mechanical stresses induced during these applications may lead to significant alteration of the hydro-mechanical properties of fractures. Laboratory experiments aimed at understanding the chemo-hydro-mechanical response of fractures have shown a range of results that contradict simple conceptual models. For example, under conditions favoring mineral dissolution, where one would expect an overall increase in permeability and fracture aperture, permeability increases under some conditions and decreases under others. Recent experiments have attempted to link these core-scale observations to the relevant small-scale processes occurring within fractures. Results suggest that the loss of mechanical strength in asperities due to chemical alteration may cause non-uniform deformation and alteration of fracture apertures. However, it remains difficult to directly measure the coupled chemical and mechanical processes that lead to alteration of contacting fracture surfaces, which challenges our ability to predict the long-term evolution of the hydro-mechanical properties of fractures. Here, we present a computational model that uses micro-scale surface roughness and explicitly couples dissolution and elastic deformation to calculate local alterations in fracture aperture under chemical and mechanical stresses. Chemical alteration of the fracture surfaces is modeled using a depth-averaged algorithm of fracture flow and reactive transport. Then, we deform the resulting altered fracture-surfaces using an algorithm that calculates the elastic deformation. Nonuniform dissolution may cause the location of the resultant force between the two contacting

  5. Effect of point and grain boundary defects on the mechanical behavior of monolayer MoS{sub 2} under tension via atomistic simulations

    Energy Technology Data Exchange (ETDEWEB)

    Dang, Khanh Q. [Department of Mechanical Engineering, University of Arkansas, Fayetteville, Arkansas 72701 (United States); Spearot, Douglas E., E-mail: [Department of Mechanical Engineering, University of Arkansas, Fayetteville, Arkansas 72701 (United States); Institute for Nanoscience and Engineering, University of Arkansas, Fayetteville, Arkansas 72701 (United States)


    Atomistic simulation is used to study the structure and energy of defects in monolayer MoS{sub 2} and the role of defects on the mechanical properties of monolayer MoS{sub 2}. First, energy minimization is used to study the structure and energy of monosulfur vacancies positioned within the bottom S layer of the MoS{sub 2} lattice, and 60° symmetric tilt grain boundaries along the zigzag and armchair directions, with comparison to experimental observations and density functional theory calculations. Second, molecular dynamics simulations are used to subject suspended defect-containing MoS{sub 2} membranes to a state of multiaxial tension. A phase transformation is observed in the defect-containing membranes, similar to prior work in the literature. For monolayer MoS{sub 2} membranes with point defects, groups of monosulfur vacancies promote stress-concentration points, allowing failure to initiate away from the center of the membrane. For monolayer MoS{sub 2} membranes with grain boundaries, failure initiates at the grain boundary and it is found that the breaking force for the membrane is independent of grain boundary energy.

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

    Institute of Scientific and Technical Information of China (English)

    Ferdinand Stoeckhert; Michael Molenda; Sebastian Brenne; Michael Alber


    abstract Fracturing of highly anisotropic rocks is a problem often encountered in the stimulation of unconven-tional 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 mag-nitudes to stress-dominated fracture propagation at high loading magnitudes.

  7. Tensile Fracture Mechanism of Claviform Hybrid Composite Rebar

    Institute of Scientific and Technical Information of China (English)

    CAI Lurong; ZENG Qingdun; WANG Ronghui


    Based on the shear-lag theory,a hexagonal model of fiber bundles was established to study the tensile fracture mechanism of a claviform hybrid composite rebar.Firstly,the stress redistributions are investigated on two conditions:one condition is that interfacial damage is taken into accotmt and the other is not.Then,a micro-statistical analysis of the multiple tensile failures of the rebar was performed by using the random critical-core theory.The results indicate that the predictions of the tensile failure strains of the rebar,in which the interracial damage is taken into account,are in better agreement with the existing experimental results than those when only elastic case is considered.Through the comparison between the theoretical and experimental results,the shear-lag theory and the model are verified feasibly in studying the claviform hybrid composite rebar.

  8. Diameter of basalt columns derived from fracture mechanics bifurcation analysis. (United States)

    Bahr, H-A; Hofmann, M; Weiss, H-J; Bahr, U; Fischer, G; Balke, H


    The diameter of columnar joints forming in cooling basalt and drying starch increases with decreasing growth rate. This observation can be reproduced with a linear-elastic three-dimensional fracture mechanics bifurcation analysis, which has been done for a periodic array of hexagonal columnar joints by considering a bifurcation mode compatible with observations on drying starch. In order to be applicable to basalt columns, the analysis has been carried out with simplified stationary temperature fields. The critical diameter differs from the one derived with a two-dimensional model by a mere factor of 1/2. By taking into account the latent heat released at the solidification front, the results agree fairly well with observed column diameters.

  9. 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:; Ni, Yongzhong; Lan, Xiang; Li, Hongyuan


    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.

  10. A mechanism-based approach to modeling ductile fracture.

    Energy Technology Data Exchange (ETDEWEB)

    Bammann, Douglas J.; Hammi, Youssef; Antoun, Bonnie R.; Klein, Patrick A.; Foulk, James W., III; McFadden, Sam X.


    Ductile fracture in metals has been observed to result from the nucleation, growth, and coalescence of voids. The evolution of this damage is inherently history dependent, affected by how time-varying stresses drive the formation of defect structures in the material. At some critically damaged state, the softening response of the material leads to strain localization across a surface that, under continued loading, becomes the faces of a crack in the material. Modeling localization of strain requires introduction of a length scale to make the energy dissipated in the localized zone well-defined. In this work, a cohesive zone approach is used to describe the post-bifurcation evolution of material within the localized zone. The relations are developed within a thermodynamically consistent framework that incorporates temperature and rate-dependent evolution relationships motivated by dislocation mechanics. As such, we do not prescribe the evolution of tractions with opening displacements across the localized zone a priori. The evolution of tractions is itself an outcome of the solution of particular, initial boundary value problems. The stress and internal state of the material at the point of bifurcation provides the initial conditions for the subsequent evolution of the cohesive zone. The models we develop are motivated by in-situ scanning electron microscopy of three-point bending experiments using 6061-T6 aluminum and 304L stainless steel, The in situ observations of the initiation and evolution of fracture zones reveal the scale over which the failure mechanisms act. In addition, these observations are essential for motivating the micromechanically-based models of the decohesion process that incorporate the effects of loading mode mixity, temperature, and loading rate. The response of these new cohesive zone relations is demonstrated by modeling the three-point bending configuration used for the experiments. In addition, we survey other methods with the potential

  11. Atypical subtrochanteric femoral shaft fractures: role for mechanics and bone quality. (United States)

    van der Meulen, Marjolein C H; Boskey, Adele L


    Bisphosphonates are highly effective agents for reducing osteoporotic fractures in women and men, decreasing fracture incidence at the hip and spine up to 50%. In a small subset of patients, however, these agents have recently been associated with 'atypical femoral fractures' (AFFs) in the subtrochanteric region or the diaphysis. These fractures have several atypical characteristics, including occurrence with minimal trauma; younger age than typical osteoporotic fractures; occurrence at cortical, rather than cancellous sites; early radiographic appearance similar to that of a stress fracture; transverse fracture pattern rather than the familiar spiral or transverse-oblique morphologies; initiation on the lateral cortex; and high risk of fracture on the contralateral side, at the same location as the initial fracture. Fracture is a mechanical phenomenon that occurs when the loads applied to a structure such as a long bone exceed its load-bearing capacity, either due to a single catastrophic overload (traumatic failure) or as a result of accumulated damage and crack propagation at sub-failure loads (fatigue failure). The association of AFFs with no or minimal trauma suggests a fatigue-based mechanism that depends on cortical cross-sectional geometry and tissue material properties. In the case of AFFs, bisphosphonate treatment may alter cortical tissue properties, as these agents are known to alter bone remodeling. This review discusses the use of bisphosphonates, their effects on bone remodeling, mechanics and tissue composition, their significance as an effective therapy for osteoporosis, and why these agents may increase fracture risk in a small population of patients.

  12. Thermal-Hydrologic-Mechanical Behavior of Single Fractures in EGS Reservoirs (United States)

    Zyvoloski, G.; Kelkar, S.; Yoshioka, K.; Rapaka, S.


    Enhanced Geothermal Systems (EGS) rely on the creation a connected fracture system or the enhancement of existing (natural) fractures by hydraulic and chemical treatments. EGS studies at Fenton Hill (New Mexico, USA) and Hijiori (Japan) have revealed that only a limited number of fractures contribute to the effective heat transfer surface area. Thus, the economic viability of EGS depends strongly on the creation and spacing of single fractures in order to efficiently mine heat from given volume of rock. Though there are many similarities between EGS and natural geothermal reservoirs, a major difference between the reservoir types is the (typically) high pumping pressures and induced thermal stresses at the injection wells of an EGS reservoir. These factors can be responsible for fracture dilation/extension and thermal short circuiting and depend strongly on the surrounding state of stress in the reservoir and mechanical properties. We will present results from our study of the thermal-hydrologic-mechanical (THM) behavior of a single fracture in a realistic subsurface stress field. We will show that fracture orientation, the stress environment, fracture permeability structure, and the relationship between permeability changes in a fracture resulting from mechanical displacement are all important when designing and managing an EGS reservoir. Lastly, we present a sensitivity analysis of the important parameters that govern fracture behavior with respect to field measurements. Temperature in high permeability fracture in an EGS reservoir

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


    Zhanghua Lian; Ying Zhang; Xu Zhao; Shidong Ding; Tiejun Lin


    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, ...

  14. Combined Isolated Laugier’s Fracture and Distal Radial Fracture: Management and Literature Review on the Mechanism of Injury

    Directory of Open Access Journals (Sweden)

    Walid Osman


    Full Text Available Introduction. Isolated fracture of the trochlea is an uncommon condition requiring a particular mechanism of injury. Its association with a distal radial fracture is rare. We aimed through this case report to identify the injury mechanism and to assess surgical outcomes. Case Presentation. We report a 26-year-old female who was admitted to our department for elbow trauma following an accidental fall on her outstretched right hand with her elbow extended and supinated. On examination, the right elbow was swollen with tenderness over the anteromedial aspect of the distal humerus. The elbow range was restricted. Standard radiographs showed an intra-articular half-moon-shaped fragment lying proximal and anterior to the distal humerus. There was a comminuted articular fracture of the distal radius with an anterior displacement. A computed tomography revealed an isolated shear fracture of the trochlea without any associated lesion of the elbow. The patient was surgically managed. Anatomical reduction was achieved and the fracture was fixed with 2 Kirschner wires. The distal radial fracture was treated by open reduction and plate fixation. The postoperative course was uneventful with a good recovery. Conclusion. Knowledge of such entity would be useful to indicate the suitable surgical management and eventually to obtain good functional outcomes.

  15. Combined Isolated Laugier's Fracture and Distal Radial Fracture: Management and Literature Review on the Mechanism of Injury (United States)

    Osman, Walid; Alaya, Zeineb; Naouar, Nader; Ben Ayeche, Mohamed


    Introduction. Isolated fracture of the trochlea is an uncommon condition requiring a particular mechanism of injury. Its association with a distal radial fracture is rare. We aimed through this case report to identify the injury mechanism and to assess surgical outcomes. Case Presentation. We report a 26-year-old female who was admitted to our department for elbow trauma following an accidental fall on her outstretched right hand with her elbow extended and supinated. On examination, the right elbow was swollen with tenderness over the anteromedial aspect of the distal humerus. The elbow range was restricted. Standard radiographs showed an intra-articular half-moon-shaped fragment lying proximal and anterior to the distal humerus. There was a comminuted articular fracture of the distal radius with an anterior displacement. A computed tomography revealed an isolated shear fracture of the trochlea without any associated lesion of the elbow. The patient was surgically managed. Anatomical reduction was achieved and the fracture was fixed with 2 Kirschner wires. The distal radial fracture was treated by open reduction and plate fixation. The postoperative course was uneventful with a good recovery. Conclusion. Knowledge of such entity would be useful to indicate the suitable surgical management and eventually to obtain good functional outcomes. PMID:28070435

  16. Time scales and mechanisms of relaxation in the energy landscape of polymer glass under deformation: direct atomistic modeling. (United States)

    Lyulin, Alexey V; Michels, M A J


    Molecular-dynamics simulation is used to explore the influence of thermal and mechanical history of typical glassy polymers on their deformation. Polymer stress-strain and energy-strain developments have been followed for different deformation velocities, also in closed extension-recompression loops. The latter simulate for the first time the experimentally observed mechanical rejuvenation and overaging of polymers, and energy partitioning reveals essential differences between mechanical and thermal rejuvenation. All results can be qualitatively interpreted by considering the ratios of the relevant time scales: for cooling down, for deformation, and for segmental relaxation.

  17. Atomistic insights into milling mechanisms in an Fe-Y{sub 2}O{sub 3} model alloy

    Energy Technology Data Exchange (ETDEWEB)

    Ressel, G.; Holec, D.; Mendez-Martin, F.; Leitner, H. [Montanuniversitaet Leoben, Department of Physical Metallurgy and Materials Testing, Leoben (Austria); Fian, A. [Joanneum Research Forschungsgesellschaft GmbH, Institute for Surface Technologies and Photonics, Weiz (Austria)


    This experimental study combined with first principles modeling focuses on the distribution and behavior of yttria in pure iron powder particles prepared by mechanical alloying. A profound verification of the mechanism during milling is still missing in literature. Atom probe tomography and X-ray photoelectron spectroscopy measurements directly after mechanical alloying revealed yttria dissolved in the iron matrix, which later rearranged in clusters. These findings are corroborated by ab initio calculations demonstrating that the formation energy for Y substitutional defect in bcc-Fe is significantly lower in the close neighborhood of vacancies. X-ray diffraction measurements revealed that mechanical alloying for at least 12 hours caused a dramatic decrease in domain size and an extraordinary increase of defect density. (orig.)

  18. Atomistic properties of γ uranium. (United States)

    Beeler, Benjamin; Deo, Chaitanya; Baskes, Michael; Okuniewski, Maria


    The properties of the body-centered cubic γ phase of uranium (U) are calculated using atomistic simulations. First, a modified embedded-atom method interatomic potential is developed for the high temperature body-centered cubic (γ) phase of U. This phase is stable only at high temperatures and is thus relatively inaccessible to first principles calculations and room temperature experiments. Using this potential, equilibrium volume and elastic constants are calculated at 0 K and found to be in close agreement with previous first principles calculations. Further, the melting point, heat capacity, enthalpy of fusion, thermal expansion and volume change upon melting are calculated and found to be in reasonable agreement with experiment. The low temperature mechanical instability of γ U is correctly predicted and investigated as a function of pressure. The mechanical instability is suppressed at pressures greater than 17.2 GPa. The vacancy formation energy is analyzed as a function of pressure and shows a linear trend, allowing for the calculation of the extrapolated zero pressure vacancy formation energy. Finally, the self-defect formation energy is analyzed as a function of temperature. This is the first atomistic calculation of γ U properties above 0 K with interatomic potentials.

  19. A dynamic atomistic-continuum method for the simulation of crystalline materials

    CERN Document Server

    Huang Zhon Gy


    We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics in crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away from defects and interfaces. We propose a new class of matching conditions between the atomistic and the continuum regions. These conditions ensure the accurate passage of large-scale information between the atomistic and the continuum regions and at the same time minimize the reflection of phonons at the atomistic-continuum interface. They can be made adaptive by choosing appropriate weight functions. We present applications to dislocation dynamics, friction between two-dimensional crystal surfaces, and fracture dynamics. We compare results of the coupled method and of the detailed atomistic model.

  20. Constraint corrected fracture mechanics in structural integrity assessment

    Energy Technology Data Exchange (ETDEWEB)

    Laukkanen, A.; Wallin, K. [VTT Industrial Systems, Espoo (Finland)


    Specimen size, crack depth and loading conditions may affect the materials fracture toughness. In order to safeguard against these geometry effects, fracture toughness testing standards prescribe the use of highly constrained deep cracked bend specimens having a sufficient size to guarantee conservative fracture toughness values. One of the more advanced testing standards, for brittle fracture, is the Master Curve standard ASTM E1921, which is based on technology developed at VTT Industrial Systems. When applied to a structure with low constraint geometry, the standard fracture toughness estimates may lead to strongly over-conservative estimate of structural performance. In some cases this may lead to unnecessary repairs or even to an early 'retirement' of the structure. In the case of brittle fracture, essentially three different methods to quantify constraint have been proposed, J-small scale yielding correction (SSYC), Q-parameter and the T{sub stress}. (orig.)

  1. Study on mechanical parameters of fractured rock masses

    Institute of Scientific and Technical Information of China (English)


    The equivalent strength parameters of fractured rock masses are prerequisite for stability analysis of geotechnical engineering projects constructed in fractured rock masses which are encountered frequently in western china.Based on generated mesh of fractured rock masses,combined with statistic damage constitutive model of intact rock and damage model of structural plane,progressive failure of fractured rock masses is studied using finite element method(FEM) .Furthermore,Scale effect and anisotropy of compressive strength of fractured rock masses are studied.Study results show that the strength decreases and tend towards stability rapidly from intact rock to fractured rock masses,and the anisotropy of strength of fractured rock masses is not significant.At last,based on numerical simulation conducted on 10 m scale rock masses under different confining pressures,the equivalent strength parameters of fractured rock masses are gained and the results are compared with Hoek-Brown criteria.The method developed is helpful for determination of strength parameters of fractured rock masses.

  2. Phase field crystal modelling of the order-to-disordered atomistic structure transition of metallic glasses (United States)

    Zhang, W.; Mi, J.


    Bulk metallic glass composites are a new class of metallic alloy systems that have very high tensile strength, ductility and fracture toughness. This unique combination of mechanical properties is largely determined by the presence of crystalline phases uniformly distributed within the glassy matrix. However, there have been very limited reports on how the crystalline phases are nucleated in the super-cooled liquid and their growth dynamics, especially lack of information on the order-to-disordered atomistic structure transition across the crystalline-amorphous interface. In this paper, we use phase field crystal (PFC) method to study the nucleation and growth of the crystalline phases and the glass formation of the super cooled liquid of a binary alloy. The study is focused on understanding the order-to-disordered transition of atomistic configuration across the interface between the crystalline phases and amorphous matrix of different chemical compositions at different thermal conditions. The capability of using PFC to simulate the order-to-disorder atomistic transition in the bulk material or across the interface is discussed in details.

  3. Boundary-dependent mechanical properties of graphene annular under in-plane circular shearing via atomistic simulations (United States)

    Li, Yinfeng; Lin, Qianling; Cui, Daxiang


    Graphene annulus possesses special wrinkling phenomenon with wide range of potential applications. Using molecular dynamics simulation, this study concerns the effect of boundary on the mechanical properties of circular and elliptical graphene annuli under circular shearing at inner edge. Both the wrinkle characteristic and torque capacity of annular graphene can be effectively tuned by outer boundary radius and aspect ratio. For circular annulus with fixed inner radius, the critical angle of rotation can be increased by several times without sacrificing its torque capacity by increasing outer boundary radius. The wrinkle characteristic of graphene annulus with elliptical outer boundary differs markedly with that of circular annulus. Torque capacity anomalously decreases with the increase of aspect ratio, and a coupled effect of the boundary aspect ratio and the ratio of minor axis to inner radius on wrinkling are revealed. By studying the stress distribution and wrinkle characteristics, we find the decay of torque capacity is the result of circular stress concentration around the minor axis, while the nonuniform stress distribution is anomalously caused by the change of wrinkle profiles near the major axis. The specific mechanism of out-of-plane deformation on in-plane strength provides a straightforward means to develop novel graphene-based devices.

  4. Boundary-dependent mechanical properties of graphene annular under in-plane circular shearing via atomistic simulations (United States)

    Li, Yinfeng; Lin, Qianling; Cui, Daxiang


    Graphene annulus possesses special wrinkling phenomenon with wide range of potential applications. Using molecular dynamics simulation, this study concerns the effect of boundary on the mechanical properties of circular and elliptical graphene annuli under circular shearing at inner edge. Both the wrinkle characteristic and torque capacity of annular graphene can be effectively tuned by outer boundary radius and aspect ratio. For circular annulus with fixed inner radius, the critical angle of rotation can be increased by several times without sacrificing its torque capacity by increasing outer boundary radius. The wrinkle characteristic of graphene annulus with elliptical outer boundary differs markedly with that of circular annulus. Torque capacity anomalously decreases with the increase of aspect ratio, and a coupled effect of the boundary aspect ratio and the ratio of minor axis to inner radius on wrinkling are revealed. By studying the stress distribution and wrinkle characteristics, we find the decay of torque capacity is the result of circular stress concentration around the minor axis, while the nonuniform stress distribution is anomalously caused by the change of wrinkle profiles near the major axis. The specific mechanism of out-of-plane deformation on in-plane strength provides a straightforward means to develop novel graphene-based devices. PMID:28198805

  5. A multiscale approach for the deformation mechanism in pearlite microstructure: Atomistic study of the role of the heterointerface on ductility

    Energy Technology Data Exchange (ETDEWEB)

    Shimokawa, Tomotsugu, E-mail: [School of Mechanical Engineering, Kanazawa University, Ishikawa 920-1192 (Japan); Oguro, Takuma [Division of Mechanical Science and Engineering, Kanazawa University, Ishikawa 920-1192 (Japan); Tanaka, Masaki; Higashida, Kenji [Department of Materials Science and Engineering, Kyushu University, Fukuoka 819-0395 (Japan); Ohashi, Tetsuya [Department of Mechanical Engineering, Kitami Institute of Technology, Hokkaido 090-8507 Japan (Japan)


    The role of the ferrite/cementite heterointerface on the mechanical properties of heavily-drawn-pearlitic steel is investigated via tensile deformation tests of multilayered composite models with brittle and ductile virtual materials in a two-dimensional triangle-lattice system by using molecular dynamics simulations. The interface strength is controlled by introducing a heterointerface potential. The dominant role of heterointerface on the mechanical properties of multilayered composite models is influenced by the interface strength. In case of weak interface strength, the heterointerface acts as a strong barrier to dislocation motion in the ductile phase; hence, the multilayered composite model shows high strength but extremely low ductility. This tendency corresponds well to that of as-drawn pearlitic steel with cementite decomposition. In case of strong interface strength, the heterointerface acts as a dislocation source of the brittle phase by dislocation transmission through the heterointerface from the ductile to brittle phase; hence, the multilayered composite model shows good ductility with a small decrease in strength. This tendency corresponds well to annealed pearlitic steel recovered from cementite decomposition. These results suggest that cementite decomposition decreases the plastic deformation potential of the heterointerface. The conditions necessary for the heterointerface to simultaneously exhibit high strength and ductility are discussed on the basis of the results of atomic simulations.

  6. Parallel Atomistic Simulations

    Energy Technology Data Exchange (ETDEWEB)



    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.

  7. Atomistic stimulation of defective oxides

    CERN Document Server

    Minervini, L


    defect processes. The predominant intrinsic disorder reaction and the mechanism by which excess oxygen is accommodated are established. Furthermore, the most favourable migration mechanism and pathway for oxygen ions is predicted. Chapters 7 and 8 investigate pyrochlore oxides. These materials are candidates for solid oxide fuel cell components and as actinide host phases. Such applications require a detailed understanding of the defect processes. The defect energies, displayed as contour maps, are able to account for structure stability and, given an appropriate partial charge potential model, to accurately determine the oxygen positional parameter. In particular, the dependence of the positional parameter on intrinsic disorder is predicted. It is demonstrated, by radiation damage experiments, that these results are able to predict the radiation performance of pyrochlore oxides. Atomistic simulation calculations based on energy minimization techniques and classical pair potentials are used to study several i...

  8. Fracture Mechanics Analyses for Interface Crack Problems - A Review (United States)

    Krueger, Ronald; Shivakumar, Kunigal; Raju, Ivatury S.


    Recent developments in fracture mechanics analyses of the interfacial crack problem are reviewed. The intent of the review is to renew the awareness of the oscillatory singularity at the crack tip of a bimaterial interface and the problems that occur when calculating mode mixity using numerical methods such as the finite element method in conjunction with the virtual crack closure technique. Established approaches to overcome the nonconvergence issue of the individual mode strain energy release rates are reviewed. In the recent literature many attempts to overcome the nonconvergence issue have been developed. Among the many approaches found only a few methods hold the promise of providing practical solutions. These are the resin interlayer method, the method that chooses the crack tip element size greater than the oscillation zone, the crack tip element method that is based on plate theory and the crack surface displacement extrapolation method. Each of the methods is validated on a very limited set of simple interface crack problems. However, their utility for a wide range of interfacial crack problems is yet to be established.

  9. Probabilistic prediction of fatigue damage based on linear fracture mechanics

    Directory of Open Access Journals (Sweden)

    M. Krejsa


    Full Text Available Paper describes in detail and gives example of the probabilistic assessment of a steel structural element subject to fatigue load, particular attention being paid to cracks from the edge and those from surface. Fatigue crack damage depends on a number of stress range cycles. Three sizes are important for the characteristics of the propagation of fatigue cracks - the initial size, detectable size and acceptable size. The theoretical model of fatigue crack progression in paper is based on a linear fracture mechanics. When determining the required degree of reliability, it is possible to specify the time of the first inspection of the construction which will focus on the fatigue damage. Using a conditional probability, times for subsequent inspections can be determined. For probabilistic calculation of fatigue crack progression was used the original and new probabilistic methods - the Direct Optimized Probabilistic Calculation (“DOProC”, which is based on optimized numerical integration. The algorithm of the probabilistic calculation was applied in the FCProbCalc code (“Fatigue Crack Probabilistic Calculation”, using which is possible to carry out the probabilistic modelling of propagation of fatigue cracks in a user friendly environment very effectively.

  10. Comparison of GTN Model and XFEM for Fracture Mechanics Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sung Jun; Chang, Yoon Suk [Kyung Hee University, Youngin (Korea, Republic of)


    The simulation of discontinuities such as stationary and growing cracks by conventional finite element(FE) method is limited for bulk materials due to the necessity of computationally expensive remeshing process and high mesh densities. Accordingly, several advanced finite element techniques have been introduced to model crack propagation without remeshing. However, there are still many modeling uncertainties relating to arbitrary discontinuities in respect of accuracy and efficiency. In order to overcome this problem, eXtended Finite Element Method(XFEM) which allows the presence of discontinuities in elements by enriching degrees of freedom(DOF) with special displacement function was developed by Belytschko and Black. In this paper, the XFEM was applied to tensile tests for API X65 steel to implement crack simulation based on fracture mechanics analyses and verify through the comparison with the preceding study using Gurson-Tvergaard-Needleman (GTN) model. In this paper, a comprehensive numerical analyses were carried out to verify an adequacy of the XFEM by comparing its results with those obtained from experiments and GTN model. The XFEM has an efficiency due to the accessibility to the corresponding parameters such as cohesive strength, cohesive energy and critical separation. Also, visualization of crack simulation has an advantage compared to the GTN model. In these respects, the XFEM can be widely used in industrial fields and further analyses for bulk materials are needed.

  11. Direct dynamics simulations of the product channels and atomistic mechanisms for the OH(-) + CH3I reaction. Comparison with experiment. (United States)

    Xie, Jing; Sun, Rui; Siebert, Matthew R; Otto, Rico; Wester, Roland; Hase, William L


    Electronic structure and direct dynamics calculations were used to study the potential energy surface and atomic-level dynamics for the OH(-) + CH3I reactions. The results are compared with crossed molecular beam, ion imaging experiments. The DFT/B97-1/ECP/d level of theory gives reaction energetics in good agreement with experiment and higher level calculations, and it was used for the direct dynamics simulations that were performed for reactant collision energies of 2.0, 1.0, 0.5, and 0.05 eV. Five different pathways are observed in the simulations, forming CH3OH + I(-), CH2I(-) + H2O, CH2 + I(-) + H2O, IOH(-) + CH3, and [CH3--I--OH](-). The SN2 first pathway and the proton-transfer second pathway dominate the reaction dynamics. Though the reaction energetics favor the SN2 pathway, the proton-transfer pathway is more important except for the lowest collision energy. The relative ion yield determined from the simulations is in overall good agreement with experiment. Both the SN2 and proton-transfer pathways occur via direct rebound, direct stripping, and indirect mechanisms. Except for the highest collision energy, 70-90% of the indirect reaction for the SN2 pathway occurs via formation of the hydrogen-bonded OH(-)---HCH2I prereaction complex. For the proton-transfer pathway the indirect reaction is more complex with the roundabout mechanism and formation of the OH(-)---HCH2I and CH2I(-)---HOH complexes contributing to the reaction. The majority of the SN2 reaction is direct at 2.0, 1.0, and 0.5 eV, dominated by stripping. At 0.05 eV the two direct mechanisms and the indirect mechanisms have nearly equal contributions. The majority of the proton-transfer pathway is direct stripping at 2.0, 1.0, and 0.5 eV, but the majority of the reaction is indirect at 0.05 eV. The product relative translational energy distributions are in good agreement with experiment for both the SN2 and proton-transfer pathways. For both, direct reaction preferentially transfers the product

  12. Research advances in fracturing mechanism of amorphous materials

    Institute of Scientific and Technical Information of China (English)


    @@ The fracture behavior of brittle materials is a timehonored problem. Archeologists discover that prehistoric people created their primitive tools using this behavior. During the Stone Age, for example, they made simple wooden butchery implements by taking advantage of a sharp edge caused by the brittle fracture on flint. According to archeologists, the application of brittle fracture to the tool-making was one of monumental inventions to mark the very beginning of human civilization.Afterwards, ancient potters succeeded in decorating their works by having the surface of pottery inlaid with cracks and fissures.

  13. Research progress in mechanism of traumatic brain injury affecting speed of fracture healing

    Institute of Scientific and Technical Information of China (English)

    ZHAO Xiao-gang; ZHAO Guang-feng; MA Yue-feng; JIANG Guan-yu


    @@ In patients who have sustained traumatic brain injury with associated extremity fracture, there is often a clinical perception that the rate of new bone formation around the fracture site increases. 1 An overgrowth of callus is observed and ectopic ossification even occurs in the muscle,2 but the mechanism remains unclear.

  14. Effect of aging on the fracture mechanics of unsaturated polyester based on recycled PET polymer concrete

    Energy Technology Data Exchange (ETDEWEB)

    Reis, J.M.L., E-mail: [Theoretical and Applied Mechanics Laboratory - LMTA, Mechanical Engineering Post Graduate Program - PGMEC, Universidade Federal Fluminense - UFF, Rua Passo da Patria, 156 Bl. E Sala 216, Niteroi, RJ (Brazil)


    This research investigates, the fracture mechanics (toughness and energy), at early ages, of polymer concrete made with unsaturated polyester resin as binder. The results indicate that the fracture parameters (toughness and energy) decrease and the brittleness increases with the age of the polymer concrete.

  15. Influence of ageing, inclusions and voids on ductile fracture mechanism in commercial Al-alloys

    Indian Academy of Sciences (India)

    A Chennakesava Reddy; S Sundar Rajan


    The objective of the paper is to study the effect of ageing, inclusions and voids on the mechanism of fracture and resultant toughness. It has been found that the voids are initiated at only a fraction of the larger inclusions present. The initiation of voids at small particles in the ductile fracture process appears to have little effect on fracture toughness. The strain hardening capacity has a marked effect on void size, and is an indicator of fracture toughness in the commercial Al alloy.

  16. A numerical model of hydro-thermo-mechanical coupling in a fractured rock mass

    Energy Technology Data Exchange (ETDEWEB)

    Bower, K.M.


    Coupled hydro-thermo-mechanical codes with the ability to model fractured materials are used for predicting groundwater flow behavior in fractured aquifers containing thermal sources. The potential applications of such a code include the analysis of groundwater behavior within a geothermal reservoir. The capability of modeling hydro-thermo systems with a dual porosity, fracture flow model has been previously developed in the finite element code, FEHM. FEHM has been modified to include stress coupling with the dual porosity feature. FEHM has been further developed to implicitly couple the dependence of fracture hydraulic conductivity on effective stress within two dimensional, saturated aquifers containing fracture systems. The cubic law for flow between parallel plates was used to model fracture permeability. The Bartin-Bandis relationship was used to determine the fracture aperture within the cubic law. The code used a Newton Raphson iteration to implicitly solve for six unknowns at each node. Results from a model of heat flow from a reservoir to the moving fluid in a single fracture compared well with analytic results. Results of a model showing the increase in fracture flow due to a single fracture opening under fluid pressure compared well with analytic results. A hot dry rock, geothermal reservoir was modeled with realistic time steps indicating that the modified FEHM code does successfully model coupled flow problems with no convergence problems.

  17. Analysis of seismic sources for different mechanisms of fracture growth for microseismic monitoring applications

    Energy Technology Data Exchange (ETDEWEB)

    Duchkov, A. A., E-mail: [Trofimuk Institute of Petroleum Geology and Geophysics SB RAS, Novosibirsk, 630090 (Russian Federation); Novosibirsk State University, Novosibirsk, 630090 (Russian Federation); Stefanov, Yu. P., E-mail: [Trofimuk Institute of Petroleum Geology and Geophysics SB RAS, Novosibirsk, 630090 (Russian Federation)


    We have developed and illustrated an approach for geomechanic modeling of elastic wave generation (microsiesmic event occurrence) during incremental fracture growth. We then derived properties of effective point seismic sources (radiation patterns) approximating obtained wavefields. These results establish connection between geomechanic models of hydraulic fracturing and microseismic monitoring. Thus, the results of the moment tensor inversion of microseismic data can be related to different geomechanic scenarios of hydraulic fracture growth. In future, the results can be used for calibrating hydrofrac models. We carried out a series of numerical simulations and made some observations about wave generation during fracture growth. In particular when the growing fracture hits pre-existing crack then it generates much stronger microseismic event compared to fracture growth in homogeneous medium (radiation pattern is very close to the theoretical dipole-type source mechanism)

  18. The radiation swelling effect on fracture properties and fracture mechanisms of irradiated austenitic steels. Part II. Fatigue crack growth rate (United States)

    Margolin, B.; Minkin, A.; Smirnov, V.; Sorokin, A.; Shvetsova, V.; Potapova, V.


    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.

  19. Mechanics and mechano-biology of fracture healing in normal and osteoporotic bone. (United States)

    Augat, Peter; Simon, Ulrich; Liedert, Astrid; Claes, Lutz


    Fracture repair, which aims at regaining the functional competence of a bone, is a complex and multifactorial process. For the success of fracture repair biology and mechanics are of immense importance. The biological and mechanical environments must be compatible with the processes of cell and tissue proliferation and differentiation. The biological environment is characterized by the vascular supply and by many biochemical components, the biochemical milieu. A good vascular supply is a prerequisite for the initiation of the fracture repair process. The biochemical milieu involves complex interactions among local and systemic regulatory factors such as growth factors or cytokines. The mechanical environment is determined by the local stress and strain within the fracture. However, the local stress and strain is not accessible, and the mechanical environment, therefore, is described by global mechanical factors, e.g., gap size or interfragmentary movement. The relationship between local stress and strain and the global mechanical factors can be obtained by numerical models (Finite Element Model). Moreover, there is considerable interaction between biological factors and mechanical factors, creating a biomechanical environment for the fracture healing process. The biomechanical environment is characterized by osteoblasts and osteocytes that sense the mechanical signal and express biological markers, which effect the repair process. This review will focus on the effects of biomechanical factors on fracture repair as well as the effects of age and osteoporosis.

  20. Applicability of Fracture Mechanics Methodology to Cracking and Fracture of Concrete. (United States)


    cracking and fracture. The publicized, annotated bibliography was the one by S. Mindess entitled "The Cracking and Fracture of Concrete: An Annotated...7 --- 109 157.0 Mindess , S.. J. S. Nadeau and J. M. Hay, Effects of Different Curing Conditions on Slow Crack Growth in Cement Paste, Cement and...Concrete Research. Vol. 4, 1974, pp. 953-965 158.0 Nadeau, J3. S.. S. Mindess and J3. MI. Hay, Slow Crack Growth in Cement Paste, Journal of the

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

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


    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. Fracture mechanics analyses of the slip-side joggle regions of wing-leading-edge panels

    Directory of Open Access Journals (Sweden)

    Kyongchan Song


    Full Text Available 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.

  3. Development of Fracture Mechanics Maps for Composite Materials. Volume 4. (United States)


    Garber. "Tensile Stress-Strain Behavior oi Graphite/Epoxy Laminates", NASA CR 3592, 1982. 42. G. Caprino , J.C. Halpin and L. Nicolais, "Fracture...2336. 84. C. Caprino , "On the Prediction of Residual Strength for Notched Laminate". Journal Materials Science, Vol. 18, 1983, pp. 2269-2273. 8j. D.L

  4. On the Role of Dimensionless Elastic Fracture Mechanics. (United States)


    S. Mindess and J.S. Nadeau, Effect of notch width on K c for mortar and concrete. Cem. Concr. Res. 6, 529-534 (1976). * T. Nakazawa, S. Suzuki, T...Plastic Fracture, ASTM STP 668, 358-377 (1979). S. Mindess and J.S. Nadeau, Effect of notch width on K c for mortar and concrete. Cem. Concr. Res. 6

  5. Fracture Mechanics Analysis of a Modified TSD Specimen

    DEFF Research Database (Denmark)

    Berggreen, Christian; Carlsson, Leif A.


    The Tilted Sandwich Debond (TSD) specimen has been recognized as a viable candidate for characterization of the face/core fracture resistance. Analysis, however, shows that the range of phase angles that can be realized by altering the tilt angle is quite limited. A parametric study however shows...

  6. Correlating laboratory observations of fracture mechanical properties to hydraulically-induced microseismicity in geothermal reservoirs.

    Energy Technology Data Exchange (ETDEWEB)

    Stephen L. Karner, Ph.D


    To date, microseismicity has provided an invaluable tool for delineating the fracture network produced by hydraulic stimulation of geothermal reservoirs. While the locations of microseismic events are of fundamental importance, there is a wealth of information that can be gleaned from the induced seismicity (e.g. fault plane solutions, seismic moment tensors, source characteristics). Closer scrutiny of the spatial and temporal evolution of seismic moment tensors can shed light on systematic characteristics of fractures in the geothermal reservoir. When related to observations from laboratory experiments, these systematic trends can be interpreted in terms of mechanical processes that most likely operate in the fracture network. This paper reports on mechanical properties that can be inferred from observations of microseismicity in geothermal systems. These properties lead to interpretations about fracture initiation, seismicity induced after hydraulic shut-in, spatial evolution of linked fractures, and temporal evolution of fracture strength. The correlations highlight the fact that a combination of temperature, stressing rate, time, and fluid-rock interactions can alter the mechanical and fluid transport properties of fractures in geothermal systems.

  7. Mode Ⅱ fracture mechanism of direct shearing specimen with guiding grooves of rock

    Institute of Scientific and Technical Information of China (English)

    饶秋华; 孙宗颀; 王桂尧; 徐纪成; 张静宜


    Fracture mechanism of direct shear specimen with guiding grooves of rock was investigated experimentally and numerically in order to explore a favorable stress condition for creating Mode Ⅱ fracture and guide design of specimen configuration for determining Mode Ⅱ fracture toughness of rock, KⅡC. The experimental and numerical results demonstrate that Mode Ⅱ fracture can be successfully achieved in the direct shearing specimen with guiding groove because the guiding grooves added in the notch plane can generate a favorable stress condition for Mode Ⅱ fracture, i.e. tensile stress at the notch tip is completely depressed and shear stress at the notch tip is very high in the notch plane. The optimum design of the specimen configuration for KⅡC testing should aim to reduce tensile stress to be compressive stress or be lower than tensile strength and greatly increase shear stress at crack tip.

  8. Potential impact of enhanced fracture-toughness data on fracture mechanics assessment of PWR vessel integrity for pressurized thermal shock

    Energy Technology Data Exchange (ETDEWEB)

    Dickson, T.L.; Theiss, T.J.


    The Heavy Section Steel Technology (HSST) Program is involved with the generation of enhanced fracture-initiation toughness and fracture-arrest toughness data of prototypic nuclear reactor vessel steels. These two sets of data are enhanced because they have distinguishing characteristics that could potentially impact PWR pressure vessel integrity assessments for the pressurized-thermal shock (PTS) loading condition which is a major plant-life extension issue to be confronted in the 1990's. A series of large-scale fracture-mechanics experiments have produced crack-arrest (K{sub Ia}) data with the distinguishing characteristic that the values are considerably above 220 MPA {center dot} {radical}m. The implicit limit of the ASME Code and the limit used in the Integrated Pressurized Thermal Shock (IPTS) studies. Currently, the HSST Program is planning experiments to verify and quantify for A533B steel the distinguishing characteristic of elevated the distinguishing characteristic of elevated initiation-fracture toughness for shallow flaws which has been observed for other steels. The results of the analyses indicated that application of the enhanced K{sub Ia} data does reduce the conditional probability of failure P(F{vert bar}E); however, it does not appear to have the potential to significantly impact the results of PTS analyses. The application of enhanced fracture-initiation-toughness data for shallow flaws also reduces P(F{vert bar}E), and does appear to have a potential for significantly affecting the results of PTS analyses. 19 refs., 11 figs., 1 tab.

  9. Evolution of Stiffness and Permeability in Fractures Subject to - and Mechanically-Activated Dissolution (United States)

    Faoro, I.; Elsworth, D.; Candela, T.


    Strong feedbacks link thermal gradients (T), hydrologic flow (H), chemical alteration (C) and mechanical deformation (M) in fractured rock. These processes are strongly interconnected since one process effects the initiation and progress of another. Dissolution and precipitation of minerals are affected by temperature and stress, and can result in significant changes in permeability and solute transport characteristics. Understanding these couplings is important for oil, gas, and geothermal reservoir engineering and for waste disposal in underground repositories and reservoirs. In order to experimentally investigate the interactions between THCM processes in a natural stressed fracture, we report on heated ( up to 150C) flow-through experiments on fractured core samples of Westerly granite. These experiments are performed to examine the influence of thermally and mechanically activated dissolution on the mechanical (stress/strain) and transport (permeability) characteristics of fractures. The evolutions of both the permeability and stiffness of the sample are recorded as the experimental thermal conditions change and chemical alteration progresses. Furthermore efflux of dissolved mineral mass is measured periodically to provide a record of the net mass removal, to correlate this with observed changes in fracture aperture, defined by the flow test. During the experiments the fracture shows high hydraulic sensitivity to the changing conditions of stress and temperature. Significant variation of the effluent fluid chemistry is observed. We argue that the formation of clay (Kaolinite) is the main mechanism responsible for the permanent change in permeability recorded at higher confining stresses (40 MPa).

  10. Mechanical Properties and Fracture Behaviour of Multilayer Alumina Composites

    Institute of Scientific and Technical Information of China (English)

    ZHENG Xinguo; ZHAO Fei; ZHANG Jinyong


    Adopting a ceramic/polymer multilayer structure design to simulate the structure of nacre is usually believed to be an effective way to increase the toughness of ceramic composites at the expense of the material's bending strength. However, in this study, we found that both the bending strength and the toughness could be improved simultaneously when using a certain Al2O3/Kevlar multilayer composite design compared to pure alumina samples with the same dimensions. The fracture behaviour of the Al2O3/Kevlar multilayer composite was studied to ifnd a reason for this improvement. The results showed that the complex and asymmetrical stresses occurring in the Kevlar-reinforced layers were the main reason for the differences in fracture behaviour. We expect our results to open up new ways for the design of future high performance ceramic composites.

  11. 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


    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.

  12. Pseudoarthrosis following proximal humeral fractures: A possible mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Rooney, P.J.; Cockshott, W.P.


    A small series of four patients with pseudarthrosis of the proximal humeral shaft is reported. These patients all had restricted movement of the shoulder joint prior to the trauma, three as a result of rheumatoid arthritis and one due a surgical fusion of the glenohumeral joint. It is suggested that pseudarthrosis is more likely under these circumstances and that pursuit of union of the fracture in such patients may not always be necessary.

  13. Investigation of the fracture mechanics of boride composites (United States)

    Kaufman, L.; Clougherty, E. V.; Nesor, H.


    Fracture energies of WC-6Co, Boride 5 (ZrB2+SiC), Boride 8(ZrB2+SiC+C) and Boride 8-M2(ZrB2+SiC+C) were measured by slow bend and impact tests of notched charpy bars. Cobalt bonded tungsten carbide exhibited impact energies of 0.76 ft-lb or 73.9 in-lb/square inch. Boride 5 and the Boride 8 exhibit impact energies one third and one quarter of that observed for WC-6Co comparing favorably with measurements for SiC and Si3N4. Slow bend-notched bar-fracture energies for WC-6Co were near 2.6 in-lb/square inch or 1/20 the impact energies. Slow bend energies for Boride 8-M2, Boride 8 and Boride 5 were 58%, 42% and 25% of the value observed for WC-6Co. Fractograph showed differences for WC-6Co where slow bend testing resulted in smooth transgranular cleavage while samples broken by impact exhibited intergranular failures. By contrast the boride fractures showed no distinction based on testing method. Fabrication studies were conducted to effect alteration of the boride composites by alloying and introduction of graphite cloth.

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

    DEFF Research Database (Denmark)

    Hansen, Christian Skodborg; Stang, Henrik


    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....

  15. Fracture Mechanisms of Layer-By-Layer Polyurethane/Poly(Acrylic Acid) Nanocomposite (United States)

    Kheng, Eugene R.

    A layer-by-layer(LBL) manufactured material is examined in detail in this thesis. Improvements are made to the method of its manufacture. Efforts are made to understand its fracture mechanisms and take advantage of these fracture mechanisms in the absorption of impact energy. A novel series of experiments has been performed on LBL manufactured thin films to demonstrate their unique fracture mechanisms. Polyurethane/Poly(Acrylic Acid) (PU/PAA) and PU/PAA/(PU/Clay)5 nanocomposite films readily undergo Interlaminar mode II fracture, because of the relatively weak elctrostatic bonds between monolayers. Tensile tests performed while under observation by a scanning electron microscope demonstrate the tendency of these nanocomposite films to undergo interlaminar mode II fracture even when loads are applied in the plane of nanocomposite film. It is concluded that these mechanisms of energy dissipation are responsible for the enhanced toughness of these films when used as layers between glass blocks in the prevention of impact damage to the glass. A novel automated manufacturing facility has been designed and built to deposit large sheets of Layer-by-Layer nanocomposite film. These large sheets are incorporated into a borosillicate glass composite in order to compare the ballistic characteristics of LBL PU based nanocomposite films to a single cast layer of polyurethane. It is demonstrated that shear fracture is the mode of failure in the blocks containing the nanocomposite film. The shear fracture surface in the nanocomposite after it has undergone a ballistic impact is characterized. Additional experiments are performed to characterize the interlaminar fracture stresses and toughnesses of the nanocomposite LBL layers, to assist in the implementation of a numerical crack band model that describes the nanocomposite film. The computational model predicts the failure of the ballistic nanocomposite samples, and the predicted V50 velocity is found to be in good agreement with

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

    Directory of Open Access Journals (Sweden)

    Zhanghua Lian


    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.

  17. Three- to nine-year survival estimates and fracture mechanisms of zirconia- and alumina-based restorations using standardized criteria to distinguish the severity of ceramic fractures


    Moraguez, Osvaldo; Wiskott, Anselm; Scherrer, Susanne


    The aims of this study were set as follows: 1. To provide verifiable criteria to categorize the ceramic fractures into non-critical (i.e., amenable to polishing) or critical (i.e., in need of replacement) 2. To establish the corresponding survival rates for alumina and zirconia restorations 3. To establish the mechanism of fracture using fractography

  18. 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)


    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)

  19. Fracto-mechanoluminescence and mechanics of fracture of solids

    Energy Technology Data Exchange (ETDEWEB)

    Chandra, B.P., E-mail: [Department of Applied Physics, Ashoka Institute of Technology and Management, Torankatta, G.E. Road, Rajnandgaon, 491441 (C.G.) (India); Chandra, V.K. [Department of Electrical and Electronics Engineering, Chhatrapati Shivaji Institute of Technology, Shivaji Nagar, Kolihapuri, Durg 491001 (C.G.) (India); Jha, P.; Patel, Rashmi; Shende, S.K. [Department of Postgraduate Studies and Research in Physics, Rani Durgavati, University, Jabalpur 482001 (India); Thaker, S. [Department of Physics and Computer Science, Government Model Science College, Raipur, 492010 (C.G.) (India); Baghel, R.N. [School of Studies in Physics and Astrophysics, Pt. Ravishankar Shukla University, Raipur, 492010 (C.G.) (India)


    The present paper explores the correlation between fracto-mechanoluminescence and fracture of solids and thereby provides a clear understanding of the physics of fracto-mechanoluminescence. When a fluorescent or non-photoluminescent crystal is fractured impulsively by dropping a load on it, then initially the mechanoluminescence (ML) intensity increases linearly with time, attains a maximum value I{sub m} at a particular time t{sub m} and later on it decreases exponentially with time. However, when a phosphorescent crystal is fractured impulsively by dropping a load on it, then initially the ML intensity increases linearly with time, attains a maximum value I{sub m} at a particular time t{sub m} and later on it decreases initially at a fast rate and then at a slow rate. For low impact velocity the value of t{sub m} is constant, however, for higher impact velocity t{sub m} decreases logarithmally with the increasing impact velocity. Whereas the peak ML intensity I{sub m} increases linearly with the impact velocity, the total ML intensity I{sub T}, initially increases linearly with the impact velocity and then it tends to attain a saturation value for higher values of the impact velocity. The value of t{sub m} increases logarithmally with the thickness of crystals, I{sub m} increases linearly with the area of cross-section of crystals and I{sub T} increases linearly with the volume of crystals. Generally, the ML of non-irradiated crystals decreases with increasing temperature of crystals. Depending on the prevailing conditions the ML spectra consist of either gas discharge spectra or solid state luminescence spectra or combination of the both. On the basis of the rate of generation of cracks and the rate of creation of new surface area of crystals, expressions are derived for the ML intensity and they are found to explain satisfactorily the temporal, spectral, thermal, crystal-size, impact velocity, surface area, and other characteristics of ML. The present

  20. In situ atomic scale mechanical microscopy discovering the atomistic mechanisms of plasticity in nano-single crystals and grain rotation in polycrystalline metals

    Energy Technology Data Exchange (ETDEWEB)

    Han, Xiaodong, E-mail: [Institute of Microstructure and Property of Advanced Materials, Beijing University of Technology (China); Wang, Lihua; Yue, Yonghai [Institute of Microstructure and Property of Advanced Materials, Beijing University of Technology (China); Zhang, Ze, E-mail: [Institute of Microstructure and Property of Advanced Materials, Beijing University of Technology (China); Department of Materials Science, National Key Lab of Silicon Materials, Zhejiang University (China)


    In this review, we briefly introduce our in situ atomic-scale mechanical experimental technique (ASMET) for transmission electron microscopy (TEM), which can observe the atomic-scale deformation dynamics of materials. This in situ mechanical testing technique allows the deformation of TEM samples through a simultaneous double-tilt function, making atomic-scale mechanical microscopy feasible. This methodology is generally applicable to thin films, nanowires (NWs), tubes and regular TEM samples to allow investigation of the dynamics of mechanically stressed samples at the atomic scale. We show several examples of this technique applied to Pt and Cu single/polycrystalline specimens. The in situ atomic-scale observation revealed that when the feature size of these materials approaches the nano-scale, they often exhibit “unusual” deformation behaviours compared to their bulk counterparts. For example, in Cu single-crystalline NWs, the elastic–plastic transition is size-dependent. An ultra-large elastic strain of 7.2%, which approaches the theoretical elasticity limit, can be achieved as the diameter of the NWs decreases to ∼6 nm. The crossover plasticity transition from full dislocations to partial dislocations and twins was also discovered as the diameter of the single-crystalline Cu NWs decreased. For Pt nanocrystals (NC), the long-standing uncertainties of atomic-scale plastic deformation mechanisms in NC materials (grain size G less than 15 nm) were clarified. For larger grains with G<∼10 nm, we frequently observed movements and interactions of cross-grain full dislocations. For G between 6 and 10 nm, stacking faults resulting from partial dislocations become more frequent. For G<∼6 nm, the plasticity mechanism transforms from a mode of cross-grain dislocation to a collective grain rotation mechanism. This grain rotation process is mediated by grain boundary (GB) dislocations with the assistance of GB diffusion and shuffling. These in situ atomic

  1. Early Age Fracture Mechanics and Cracking of Concrete

    DEFF Research Database (Denmark)

    Østergaard, Lennart


    Modern high performance concretes have low water cement ratios and do often include silica fume. Also early age high strength cements are often applied and when all these factors sum up, it turns out that the cracking sensibility is dramatically increased in com- parison with ordinary concrete...... if applied in early age. The results are only valid after 24 hours for fast and normal hardening cements and after 48 hours for slow hardening cements. This is con¯rmed in a finite element model. The fracture properties of early age concrete have been determined. The framework of the investigations has been...

  2. Numerical Analysis and Experimental Study of Hard Roofs in Fully Mechanized Mining Faces under Sleeve Fracturing

    Directory of Open Access Journals (Sweden)

    Zhitao Zheng


    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.

  3. Modelling of Debond and Crack Propagation in Sandwich Structures Using Fracture and Damage Mechanics

    DEFF Research Database (Denmark)

    Berggreen, C.; Simonsen, Bo Cerup; Toernqvist, Rikard


    Skin-core de-bonding or core crack propagation will often be dominating mechanisms in the collapse modes of sandwich structures. This paper presents two different methods for prediction of crack propagation in a sandwich structure: a fracture mechanics approach, where a new mode-mix method...

  4. Natural hydraulic fractures and the mechanical stratigraphy of shale-dominated strata (United States)

    Imber, Jonathan; Armstrong, Howard; Atar, Elizabeth; Clancy, Sarah; Daniels, Susan; Grattage, Joshua; Herringshaw, Liam; Trabucho-Alexandre, João; Warren, Cassandra; Wille, Jascha; Yahaya, Liyana


    .2-4.3 fractures per m, consistent with field observations that this formation is more highly fractured than the Cleveland Ironstone Formation. Semi-quantitative estimates of the mineralogical "brittleness index" suggest the highly fractured, clay-rich Mulgrave Shale Member of the Whitby Mudstone Formation has a low brittleness. Our results are therefore inconsistent with the widely held assumption that natural fracture density is greatest within units characterised by a high brittleness index. We propose that stratigraphic variations in fracture densities are more likely to result from the different distributions of crack driving stresses; formations containing decimetre-scale, and most likely stiff, carbonate layers (such as the Cleveland Ironstone Formation) will have differing crack driving stresses compared with silt- and mudstone dominated successions (such as the Whitby Mudstone Formation). The high fracture density observed within the Mulgrave Shale Member is also consistent with propagation of natural hydraulic fractures driven by fluid overpressure caused by maturation of organic matter concentrated within this unit. The next step is to investigate the relative importance of maturation-driven overpressure v. mechanical heterogeneity by analysing the stratigraphic variations in fracture density within the underlying, organic-matter lean Redcar Mudstone Formation.

  5. Fracture mechanics in fiber reinforced composite materials, taking as examples B/A1 and CRFP (United States)

    Peters, P. W. M.


    The validity of linear elastic fracture mechanics and other fracture criteria was investigated with laminates of boron fiber reinforced aluminum (R/A1) and of carbon fiber reinforced epoxide (CFRP). Cracks are assessed by fracture strength Kc or Kmax (critical or maximum value of the stress intensity factor). The Whitney and Nuismer point stress criterion and average stress criterion often show that Kmax of fiber composite materials increases with increasing crack length; however, for R/A1 and CFRP the curve showing fracture strength as a function of crack length is only applicable in a small domain. For R/A1, the reason is clearly the extension of the plastic zone (or the damage zone n the case of CFRP) which cannot be described with a stress intensity factor.

  6. Vertebroplasty and Kyphoplasty Can Restore Normal Spine Mechanics following Osteoporotic Vertebral Fracture

    Directory of Open Access Journals (Sweden)

    Jin Luo


    Full Text Available Osteoporotic vertebral fractures often lead to pain and disability. They can be successfully treated, and possibly prevented, by injecting cement into the vertebral body, a procedure known as vertebroplasty. Kyphoplasty is similar, except that an inflatable balloon is used to restore vertebral body height before cement is injected. These techniques are growing rapidly in popularity, and a great deal of recent research, reviewed in this paper, has examined their ability to restore normal mechanical function to fractured vertebrae. Fracture reduces the height and stiffness of a vertebral body, causing the spine to assume a kyphotic deformity, and transferring load bearing to the neural arch. Vertebroplasty and kyphoplasty are equally able to restore vertebral stiffness, and restore load sharing towards normal values, although kyphoplasty is better at restoring vertebral body height. Future research should optimise these techniques to individual patients in order to maximise their beneficial effects, while minimising the problems of cement leakage and adjacent level fracture.

  7. 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.

  8. Mechanical interactions between proppants and rock and their effect on hydraulic fracture performance

    Energy Technology Data Exchange (ETDEWEB)

    Legarth, B.A.; Raab, S.; Huenges, E. [GeoForschungsZentrum Potsdam (Germany)


    Proppants interact mechanically with the rock matrix. This causes damage to the fracture face and influences propped fracture performance. Therefore, proppant embedment and proppant crushing phenomena were analysed in laboratory under simulated in situ conditions. The embedment tests were performed in a conductivity cell using reassembled core halves. Embedment features in the rock matrix were optically analyzed. In a separate unit single grain strength tests were performed on a wide range of ceramic proppant types (AI203-based, coated/uncoated) and sizes (diameter 0,2-1,6 mm). The experiment showed that areas in the fracture with low proppant concentration revealed severe proppant crushing and embedment that occurred already at low effective stress. Punctual loading was identified as reason for premature proppant failure. Grain strength testing showed that compressive fracture force increases with grain diameter, is influenced by the presence of a coating and might be additionally controlled by grain surface structure. Compressive fracture strength is largely independent from size for same proppant types. A contact model introduced by Hertz was applied to retrieve the stress magnitudes at grain failure. Proppant crushing leads to generation of fines in the matrix and the proppant pack. These fines can be transported and plug pore-throats and flow channels. Dependent on completion type and expected fracture widths proppant grain size should be maximized for higher fracture conductivity. Proppant crushing and embedment processes are enforced by decreasing proppant concentration. Considering natural conditions in a fracture - rough surfaces, tortuous-twisted paths that hinder even proppant distribution - low proppant concentrations appear to be very real, maybe even the normal case in nature. Thus, high proppant concentration is the key issue to mitigate fracture impairment. (orig.)

  9. Relationship between microstructure, material distribution, and mechanical properties of sheep tibia during fracture healing process. (United States)

    Gao, Jiazi; Gong, He; Huang, Xing; Fang, Juan; Zhu, Dong; Fan, Yubo


    The aim of this study was to investigate the relationship between microstructural parameters, material distribution, and mechanical properties of sheep tibia at the apparent and tissue levels during the fracture healing process. Eighteen sheep underwent tibial osteotomy and were sacrificed at 4, 8, and 12 weeks. Radiographs and micro-computed tomography (micro-CT) scanning were taken for microstructural assessment, material distribution evaluation, and micro-finite element analysis. A displacement of 5% compressive strain on the longitudinal direction was applied to the micro-finite element model, and apparent and tissue-level mechanical properties were calculated. Principle component analysis and linear regression were used to establish the relationship between principle components (PCs) and mechanical parameters. Visible bony callus formation was observed throughout the healing process from radiographic assessment. Apparent mechanical property increased at 8 weeks, but tissue-level mechanical property did not increase significantly until 12 weeks. Three PCs were extracted from microstructural parameters and material distribution, which accounted for 87.592% of the total variation. The regression results showed a significant relationship between PCs and mechanical parameters (R>0.8, PCT imaging could efficiently predict bone strength and reflect the bone remodeling process during fracture healing, which provides a basis for exploring the fracture healing mechanism and may be used as an approach for fractured bone strength assessment.

  10. Delayed Fracture Resistance and Mechanical Properties of 30MnSi High Strength Steel

    Institute of Scientific and Technical Information of China (English)

    XIAO Gui-zhi; DI Hong-shuang


    To investigate the effect of heat treatment on mechanical properties and delayed fracture resistance of high strength steel,30MnSi prestressed concrete (PC) steel bars are quenched and tempered.Tensile results show that,after 950 ℃ quenching and about 430 ℃ tempering,30MnSi PC steel bars have superior mechanical properties and delayed fracture resistance.Microstructursl observation shows that 30MnSi steel bar is mainly composed of fine tempered sorbite (troostite) with carbide distributed along the lath martensite boundaries.It can be concluded that thermal refining is an effective way to improve mechanical properties and delayed fracture resistance of 30MnSi PC steel bar.

  11. Elastic-plastic fracture mechanics of strength-mismatching

    Energy Technology Data Exchange (ETDEWEB)

    Parks, D.M.; Ganti, S.; McClintock, F.A. [Massachusetts Institute of Technology, Cambridge, MA (United States)


    Approximate solutions to stress-fields are provided for a strength-mismatched interface crack in small-scale yielding (SSY) for non-hardening and low hardening materials. Variations of local deformation intensities, characterized by a J-type contour integral, are proposed. The softer material experiences a higher deformation intensity level, J{sub S}, while the harder material sees a much lower deformation intensity level, J{sub H}, compared to that obtained from the applied J near the respective homogeneous crack-tips. For a low hardening material, the stress fields are obtained by scaling from an elastic/perfectly-plastic problem, based on an effective mismatch, M{sub eff}, which is a function of mismatch, M, and the hardening exponent, n. Triaxial stress build-up is discussed quantitatively in terms of M. The influence of strength-mismatch on cleavage fracture is discussed using Weibull statistics.

  12. Fracture mechanics of polymer mortar made with recycled raw materials

    Directory of Open Access Journals (Sweden)

    Marco Antonio Godoy Jurumenha


    Full Text Available The aim of this work is to show that industrial residues could be used in construction applications so that production costs as well as environmental protection can be improved. The fracture properties of polymer mortar manufactured with recycled materials are investigated to evaluate the materials behaviour to crack propagation. The residues used in this work were spent sand from foundry industry as aggregate, unsaturated polyester resin from polyethylene terephthalate (PET as matrix and polyester textile fibres from garment industry, producing an unique composite material fully from recycled components with low cost. The substitution of fresh by used foundry sand and the insertions of textile fibres contribute to a less brittle behaviour of polymer mortar.

  13. Deformation Mechanisms and Fracture of Ni-Based Metallic Glasses

    Directory of Open Access Journals (Sweden)

    Lesz S.


    Full Text Available The cracking of materials and fracture surface is of great practical and academic importance. Over the last few years the development of the fractography of crystalline alloys resulted in a useful tool for the prediction or failure analysis. Many attempts have been made to observe cracks using optical microscopy, X-ray topography and transmission electron microscopy (TEM. Of these techniques, the resolution of optical microscopy and X-ray topography is too poor. By contrast, the resolution of TEM is high enough for detailed information to be obtained. However, in order to apply TEM observations, a thin foil specimen must be prepared, and it is usually extremely difficult to prepare such a specimen from a pre-selected region containing a crack.

  14. A numerical manifold method model for analyzing fully coupled hydro-mechanical processes in porous rock masses with discrete fractures (United States)

    Hu, Mengsu; Rutqvist, Jonny; Wang, Yuan


    In this study, a numerical manifold method (NMM) model was developed for fully coupled analysis of hydro-mechanical (HM) processes in porous rock masses with discrete fractures. Using an NMM two-cover-mesh system of mathematical and physical covers, fractures are conveniently discretized by dividing the mathematical cover along fracture traces to physical cover, resulting in a discontinuous model on a non-conforming mesh. In this model, discrete fracture deformation (e.g. open and slip) and fracture fluid flow within a permeable and deformable porous rock matrix are rigorously considered. For porous rock, direct pore-volume coupling was modeled based on an energy-work scheme. For mechanical analysis of fractures, a fracture constitutive model for mechanically open states was introduced. For fluid flow in fractures, both along-fracture and normal-to-fracture fluid flow are modeled without introducing additional degrees of freedom. When the mechanical aperture of a fracture is changing, its hydraulic aperture and hydraulic conductivity is updated. At the same time, under the effect of coupled deformation and fluid flow, the contact state may dynamically change, and the corresponding contact constraint is updated each time step. Therefore, indirect coupling is realized under stringent considerations of coupled HM effects and fracture constitutive behavior transfer dynamically. To verify the new model, examples involving deformable porous media containing a single and two sets of fractures were designed, showing good accuracy. Last, the model was applied to analyze coupled HM behavior of fractured porous rock domains with complex fracture networks under effects of loading and injection.

  15. Life Prediction of Ball Grid Array Soldered Joints under Thermal Cycling Loading by Fracture Mechanics Method

    Institute of Scientific and Technical Information of China (English)


    Fatigue crack propagation life of ball grid array (BGA) soldered joints during thermal cycling loading was investigated by fracture mechanics approach using finite element analysis. The relationships between the strain energy release rate (G) and crack size (α), thermal cycle numbers (N) can be derived. Based on the relationships, fatigue life of the soldered joints was determined. The results showed that crack propagation life was higher than crack initiation life. Therefore, it appears that it is more appropriate to predict the fatigue life of soldered joints using the fracture mechanics method.

  16. An Overview of Innovative Strategies for Fracture Mechanics at NASA Langley Research Center (United States)

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


    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

  17. Atomistic simulations of bicelle mixtures. (United States)

    Jiang, Yong; Wang, Hao; Kindt, James T


    Mixtures of long- and short-tail phosphatidylcholine lipids are known to self-assemble into a variety of aggregates combining flat bilayerlike and curved micellelike features, commonly called bicelles. Atomistic simulations of bilayer ribbons and perforated bilayers containing dimyristoylphosphatidylcholine (DMPC, di-C(14) tails) and dihexanoylphosphatidylcholine (DHPC, di-C(6) tails) have been carried out to investigate the partitioning of these components between flat and curved microenvironments and the stabilization of the bilayer edge by DHPC. To approach equilibrium partitioning of lipids on an achievable simulation timescale, configuration-bias Monte Carlo mutation moves were used to allow individual lipids to change tail length within a semigrand-canonical ensemble. Since acceptance probabilities for direct transitions between DMPC and DHPC were negligible, a third component with intermediate tail length (didecanoylphosphatidylcholine, di-C(10) tails) was included at a low concentration to serve as an intermediate for transitions between DMPC and DHPC. Strong enrichment of DHPC is seen at ribbon and pore edges, with an excess linear density of approximately 3 nm(-1). The simulation model yields estimates for the onset of edge stability with increasing bilayer DHPC content between 5% and 15% DHPC at 300 K and between 7% and 17% DHPC at 323 K, higher than experimental estimates. Local structure and composition at points of close contact between pores suggest a possible mechanism for effective attractions between pores, providing a rationalization for the tendency of bicelle mixtures to aggregate into perforated vesicles and perforated sheets.

  18. Fatigue Performance of Microalloyed High-strength Rebar and Analysis of Fracture Mechanism

    Institute of Scientific and Technical Information of China (English)

    Peng-yan LU; Yu LIU; Hua-jie WU; Gang LIU; Xiang MENG; Yang XU


    Fatigue performance of hot-rolled ribbed-steel bar with the yield strength of 500 MPa (HRB500)was stud-ied with bend-rotating fatigue test at a stress ratio of R=-1 .It is determined by staircase method that its fatigue strength for 107 cycles is 451 MPa,which is higher than that of common carbon structural steel.This should be at-tributed to the fine-grain strengthening resulting from the high content of alloy element V and Thermo-Mechanical Control Process (TMCP).The S-N curve function is also obtained by nonlinear regression with three parameters power function.The fatigue fractures of the specimen were further analyzed with Scanning Electron Microscopy (SEM)and Energy Disperse Spectroscopy (EDS)to study the fracture mechanism.Taking into account microstruc-ture,hardness and cleanliness of the material,it implies that the fatigue fractures of HRB500 rebar all arise from surface substrates in which many brittle inclusions are contained,and that the fatigue crack propagation is principally based on the mechanism of quasi-cleavage fracture,because of the intracrystalline hard spots leading to stress con-centration and thus to the cracks.Moreover,the transient breaking area exhibits microvoid coalescence of ductile fracture due to the existing abundant inclusions.

  19. Probabilistic fracture mechanics analysis of thermally aged nuclear piping in a pressurized water reactor

    Energy Technology Data Exchange (ETDEWEB)

    Li, Shuxiao; Zhang, Hailong; Li, Shilei; Wang, Yanli [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Xue, Fei [Suzhou Nuclear Power Research Institute, Suzhou 215004 (China); Wang, Xitao, E-mail: [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China)


    Highlights: • Thermal aging embrittlement was considered in the PFM analysis of nuclear pipe. • Predicting program for pipe failure probability was developed based on thermal aging. • Cumulative failure probability is significantly affected by fracture toughness. • Cumulative failure probability is slightly affected by fatigue crack growth rate. • Tensile strength increase due to thermal aging slightly reduces pipe failure risk. - Abstract: A predicting program for pipe break probability based on thermal aging embrittlement was developed. In order for life prediction, evolutions of fracture toughness and tensile strength were estimated for a Z3CN20-09M piping steel using the Argonne National Laboratory (ANL) procedure. To understand the influence of thermal aging on failure probability, different evolutions of fracture toughness, tensile strength and fatigue crack growth rate were employed in the prediction of cumulative failure probability. The results show that the cumulative failure probability for 40-year thermal aging increases by almost four times compared to without consideration of fracture toughness degradation. The cumulative failure probability is slightly affected by fatigue crack growth rate. The increase of tensile strength due to thermal aging reduces the risk of pipe failure. This work demonstrates that the degradation of fracture toughness due to thermal aging should be fully considered in the probabilistic fracture mechanics analysis of nuclear pressure pipes.

  20. Constraints on bed scale fracture chronology with a FEM mechanical model of folding: The case of Split Mountain (Utah, USA) (United States)

    Sassi, W.; Guiton, M. L. E.; Leroy, Y. M.; Daniel, J.-M.; Callot, J.-P.


    A technique is presented for improving the structural analysis of natural fractures development in large scale fold structures. A 3D restoration of a fold provides the external displacement loading conditions to solve, by the finite element method, the forward mechanical problem of an idealized rock material with a stress-strain relationship based on the activation of pervasive fracture sets. In this elasto-plasticity constitutive law, any activated fracture set contributes to the total plastic strain by either an opening or a sliding mode of rock failure. Inherited versus syn-folding fracture sets development can be studied using this mechanical model. The workflow of this methodology was applied to the Weber sandstone formation deformed by forced folding at Split Mountain Anticline, Utah for which the different fracture sets were created and developed successively during the Sevier and the syn-folding Laramide orogenic phases. The field observations at the top stratigraphic surface of the Weber sandstone lead to classify the fracture sets into a pre-fold WNW-ESE fracture set, and a NE-SW fracture set post-dating the former. The development and relative chronology of the fracture sets are discussed based on the geomechanical modeling results. Starting with a 3D restoration of the Split Mountain Anticline, three fold-fracture development models were generated, alternately assuming that the WNW-ESE fracture set is either present or absent prior to folding process. Depending on the initial fracture configuration, the calculated fracture patterns are markedly different, showing that assuming a WNW-ESE joint set to predate the fold best correlates with field observations. This study is a first step addressing the complex problem of identification of fold-related fracturing events using an elementary concept of rock mechanics. When tight to complementary field observations, including petrography, diagenesis and burial history, the approach can be used to better

  1. A comparison of electromigration failure of metal lines with fracture mechanics

    Institute of Scientific and Technical Information of China (English)

    Hiroyuki Abé; Mikio Muraoka; Kazuhiko Sasagawa; Masumi Saka


    Atoms constructing an interconnecting metal line in a semiconductor device are transported by electron flow in high density.This phenomenon is called electromigration,which may cause the line failure.In order to characterize the electromigration failure,a comparison study is carried out with some typical phenomena treated by fracture mechanics for thin and large structures.An example of thin structures,which have been treated by fracture mechanics,is silica optical fibers for communication systems.The damage growth in a metal line by electromigration is characterized in comparison with the crack growth in a silica optical fiber subjected to static fatigue.Also a brief comparison is made between the electromigration failure and some fracture phenomena in large structures.

  2. Discrete fracture modeling of hydro-mechanical damage processes in geological systems (United States)

    Kim, K.; Rutqvist, J.; Houseworth, J. E.; Birkholzer, J. T.


    This study presents a modeling approach for investigating coupled thermal-hydrological-mechanical (THM) behavior, including fracture development, within geomaterials and structures. In the model, the coupling procedure consists of an effective linkage between two codes: TOUGH2, a simulator of subsurface multiphase flow and mass transport based on the finite volume approach; and an implementation of the rigid-body-spring network (RBSN) method, a discrete (lattice) modeling approach to represent geomechanical behavior. One main advantage of linking these two codes is that they share the same geometrical mesh structure based on the Voronoi discretization, so that a straightforward representation of discrete fracture networks (DFN) is available for fluid flow processes. The capabilities of the TOUGH-RBSN model are demonstrated through simulations of hydraulic fracturing, where fluid pressure-induced fracturing and damage-assisted flow are well represented. The TOUGH-RBSN modeling methodology has been extended to enable treatment of geomaterials exhibiting anisotropic characteristics. In the RBSN approach, elastic spring coefficients and strength parameters are systematically formulated based on the principal bedding direction, which facilitate a straightforward representation of anisotropy. Uniaxial compression tests are simulated for a transversely isotropic material to validate the new modeling scheme. The model is also used to simulate excavation fracture damage for the HG-A microtunnel in the Opalinus Clay rock, located at the Mont Terri underground research laboratory (URL) near Saint-Ursanne, Switzerland. The Opalinus Clay has transversely isotropic material properties caused by natural features such as bedding, foliation, and flow structures. Preferential fracturing and tunnel breakouts were observed following excavation, which are believed to be strongly influenced by the mechanical anisotropy of the rock material. The simulation results are qualitatively

  3. Experimental Investigation and Fracture Mechanical Modelling of Debonded Sandwich Panels Loaded with Lateral Pressure

    DEFF Research Database (Denmark)

    Jolma, Perttu; Segercrantz, Sebastian; Berggreen, Carl Christian


    For the determination of debonded sandwich panel residual strength with lateral loading a parametric finite element model is developed. The parametric model allows an arbitrary positioning of the debond within the panel and consists of both solid and shell elements. A fracture mechanical approach...

  4. Structural Reliability of Ceramics at High Temperature: Mechanisms of Fracture and Fatigue Crack Growth

    Energy Technology Data Exchange (ETDEWEB)

    Reinhold H. Dauskardt


    Final report of our DOE funded research program. Aim of the research program was to provide a fundamental basis from which the mechanical reliability of layered structures may be understood, and to provide guidelines for the development of technologically relevant layered material structures with optimum resistance to fracture and subcritical debonding. Progress in the program to achieve these goals is described.

  5. Three-Dimensional Problems in the Dynamic Fracture Mechanics of Materials with Interface Cracks (Review) (United States)

    Guz, A. N.; Guz, I. A.; Men'shikov, A. V.; Men'shikov, V. A.


    Three-dimensional problems in the dynamic fracture mechanics of materials with interface cracks are considered as nonclassical problems of fracture mechanics. Physically correct results in fracture mechanics in the case where the interaction of the crack edges must be taken into account are analyzed. The linear (classical) and nonlinear (nonclassical) problems of dynamic fracture mechanics for materials with interface cracks are formulated using the above approaches. A method for solving three-dimensional linear dynamic problems based on boundary integral equations for piecewise-homogeneous materials and the boundary-element method is outlined. This method can be used for incremental solution of nonlinear problems. The method involves the regularization of hypersingular integrals. New classes of three-dimensional linear dynamic problems for circular and elliptic interface cracks are solved. Numerical values of stress intensity factors obtained with the linear problem formulation are the first step toward calculating them in the nonlinear formulation. The first results obtained in solving nonlinear dynamic problems for interface cracks with interacting faces are briefly analyzed


    Institute of Scientific and Technical Information of China (English)

    H.R. Dong; W.L. Guo


    Mixed mode Ⅰ/Ⅱ fracture experiments of LC4-CS aluminum alloy were conducted by using tension-shear specimens with thicknesses of 2, 4, 8 and 14mm. Fracture mechanisms of thickness effect on mixed mode Ⅰ/Ⅱ fracture were first examined from fracture surface morphology to correlate with the macroscopic fracture behavior and stress state. It is found that specimen thickness has a strong influence on mixed mode fracture. As thickness varies from thin to thick the macroscopic fracture surfaces appear the characteristics of plane stress state (2mm, 4mm-thick specimen), threedimensional stress state (8mm-thick specimens), and plane strain state (14mm-thick specimens), respectively. The specimens of all kinds of thicknesses are typical of tensile type failure under mode I loading condition and shear type failure under mode Ⅱloading condition. Two distinct features coexist on the fracture surfaces under mixed mode loading conditions, and the corresponding proportion varies with loading mixity. Void-growth processes are the failure mechanism in both predominately tensileand shear-type fractures. The size and depth of dimples on the fracture surface vary greatly with thickness. Therefore, it is extraordinary necessary to take into account the thickness effect when a mixed mode fracture criterion is being established.

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

    Directory of Open Access Journals (Sweden)

    Pankaj Gupta


    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.

  8. Focal mechanism caused by fracture or burst of a coal pillar

    Institute of Scientific and Technical Information of China (English)

    CAO An-ye; DOU Lin-ming; CHEN Guo-xiang; GONG Si-yuan; WANG Yu-gang; LI Zhi-hua


    As a regional, real-time and dynamic method, microseismic monitoring technology is quite an appropriate technology for forecasting geological hazards, such as rock bursts, mine tremors, coal and gas outbursts and can even be used to prevent or at least reduce these disasters. The study of the focal mechanisms of different seismic sources is the prerequisite and basis for forecasting rock burst by microseismic monitoring technology. Based on the analysis on the mechanism and fracture course of coal pillars where rock bursts occur mostly, the equivalent point source model of the seismicity caused by a coal pillar was created. Given the model, the seismic displacement equation of a coal pillar was analyzed and the seismic mechanism was pointed out by seismic wave theory. The course of the fracture of the coal pillar was simulated closely in the laboratory and the equivalent microseismic signals of the fractures of the coal pillar were acquired using a TDS-6 experimental system. The results show that, by the pressure and friction of a medium near the seismic source, both a compression wave and a shear wave will be emitted and shear fracture will be induced at the moment of breakage. The results can be used to provide an academic basis to forecast and prevent rock bursts or tremors in a coal pillar.

  9. Humeral fracture in non-ambulant infants - a possible accidental mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Somers, John M.; Halliday, Katharine E. [Nottingham University Hospitals, Radiology Department, Nottingham (United Kingdom); Chapman, Stephen [Birmingham Children' s Hospital, Birmingham (United Kingdom)


    Humeral fracture in a non-ambulant infant younger than 1 year is suspicious for a non-accidental injury unless there is a credible accidental explanation. A previously unrecognised accidental mechanism was described in 1996 whereby a 5-month-old infant was rolled by a 3-year-old sibling from a prone to a supine position. To investigate the widely accepted view that an infant with limited mobility cannot sustain a fracture of the humerus by his or her own actions in the absence of the intervention of an external party. We present seven cases of non-ambulant infants between 4 and 7 months of age in whom an isolated humeral fracture was the only injury present. In each case the caregiver described the fracture occurring when the child rolled over, trapping the dependent arm, without the intervention of another party. There is no proof for this mechanism in the form of an independent witness or video recording. However, we propose that this mechanism is worthy of further consideration as a rare and unusual cause for the injury. Further study is required. (orig.)

  10. Fracture resistance curves and toughening mechanisms in polymer based dental composites

    DEFF Research Database (Denmark)

    De Souza, J.A.; Goutianos, Stergios; Skovgaard, M.


    The fracture resistance (R-curve behaviour) of two commercial dental composites (Filtek Z350® and Concept Advanced®) were studied using Double Cantilever Beam sandwich specimens loaded with pure bending moments to obtain stable crack growth. The experiments were conducted in an environmental...... displayed distinctly different R-curve behaviours. The difference was related to different toughening mechanisms as the two composites had markedly different microstructures. Contrary to common experience, the composite with the finer microstructure (smaller particles), the Concept Advanced®, showed...... significantly higher fracture resistance than the composite with the coarser microstructure. The fracture properties were related to the flexural strength of the dental composites. The method, thus, can provide useful insight into how the microstructure enhances toughness, which is necessary for the future...

  11. 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


    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)

  12. The effect of hydrogen on strain hardening and fracture mechanism of high-nitrogen austenitic steel (United States)

    Maier, G. G.; Astafurova, E. G.; Melnikov, E. V.; Moskvina, V. A.; Vojtsik, V. F.; Galchenko, N. K.; Zakharov, G. N.


    High-nitrogen austenitic steels are perspective materials for an electron-beam welding and for producing of wear-resistant coatings, which can be used for application in aggressive atmospheres. The tensile behavior and fracture mechanism of high-nitrogen austenitic steel Fe-20Cr-22Mn-1.5V-0.2C-0.6N (in wt.%) after electrochemical hydrogen charging for 2, 10 and 40 hours have been investigated. Hydrogenation of steel provides a loss of yield strength, uniform elongation and tensile strength. The degradation of tensile properties becomes stronger with increase in charging duration - it occurs more intensive in specimens hydrogenated for 40 hours as compared to ones charged for 2-10 hours. Fracture analysis reveals a hydrogen-induced formation of brittle surface layers up to 6 μm thick after 40 hours of saturation. Hydrogenation changes fracture mode of steel from mixed intergranular-transgranular to mainly transgranular one.

  13. Terahertz Nanoscience of Multifunctional Materials: Atomistic Exploration (United States)


    Approved for Public Release; Distribution Unlimited Final report on the project "Terahertz Nanoscience of Multifunctional Materials: Atomistic...non peer-reviewed journals: Final report on the project "Terahertz Nanoscience of Multifunctional Materials: Atomistic Exploration" Report Title In... nanoscience of multifunctional materials: atomistic exploration” PI:Inna Ponomareva We have accomplished the following. 1. We have developed a set of

  14. Atomistic simulation of Voronoi-based coated nanoporous metals (United States)

    Onur Yildiz, Yunus; Kirca, Mesut


    In this study, a new method developed for the generation of periodic atomistic models of coated and uncoated nanoporous metals (NPMs) is presented by examining the thermodynamic stability of coated nanoporous structures. The proposed method is mainly based on the Voronoi tessellation technique, which provides the ability to control cross-sectional dimension and slenderness of ligaments as well as the thickness of coating. By the utilization of the method, molecular dynamic (MD) simulations of randomly structured NPMs with coating can be performed efficiently in order to investigate their physical characteristics. In this context, for the purpose of demonstrating the functionality of the method, sample atomistic models of Au/Pt NPMs are generated and the effects of coating and porosity on the thermodynamic stability are investigated by using MD simulations. In addition to that, uniaxial tensile loading simulations are performed via MD technique to validate the nanoporous models by comparing the effective Young’s modulus values with the results from literature. Based on the results, while it is demonstrated that coating the nanoporous structures slightly decreases the structural stability causing atomistic configurational changes, it is also shown that the stability of the atomistic models is higher at lower porosities. Furthermore, adaptive common neighbour analysis is also performed to identify the stabilized atomistic structure after the coating process, which provides direct foresights for the mechanical behaviour of coated nanoporous structures.

  15. A robust, coupled approach for atomistic-continuum simulation.

    Energy Technology Data Exchange (ETDEWEB)

    Aubry, Sylvie; Webb, Edmund Blackburn, III (Sandia National Laboratories, Albuquerque, NM); Wagner, Gregory John; Klein, Patrick A.; Jones, Reese E.; Zimmerman, Jonathan A.; Bammann, Douglas J.; Hoyt, Jeffrey John (Sandia National Laboratories, Albuquerque, NM); Kimmer, Christopher J.


    This report is a collection of documents written by the group members of the Engineering Sciences Research Foundation (ESRF), Laboratory Directed Research and Development (LDRD) project titled 'A Robust, Coupled Approach to Atomistic-Continuum Simulation'. Presented in this document is the development of a formulation for performing quasistatic, coupled, atomistic-continuum simulation that includes cross terms in the equilibrium equations that arise due to kinematic coupling and corrections used for the calculation of system potential energy to account for continuum elements that overlap regions containing atomic bonds, evaluations of thermo-mechanical continuum quantities calculated within atomistic simulations including measures of stress, temperature and heat flux, calculation used to determine the appropriate spatial and time averaging necessary to enable these atomistically-defined expressions to have the same physical meaning as their continuum counterparts, and a formulation to quantify a continuum 'temperature field', the first step towards constructing a coupled atomistic-continuum approach capable of finite temperature and dynamic analyses.

  16. Analysis of propagation mechanisms of stimulation-induced fractures in rocks (United States)

    Krause, Michael; Renner, Joerg


    Effectivity of geothermal energy production depends crucially on the heat exchange between the penetrated hot rock and the circulating water. Hydraulic stimulation of rocks at depth intends to create a network of fractures that constitutes a large area for exchange. Two endmembers of stimulation products are typically considered, tensile hydro-fractures that propagate in direction of the largest principal stress and pre-existing faults that are sheared when fluid pressure reduces the effective normal stress acting on them. The understanding of the propagation mechanisms of fractures under in-situ conditions is still incomplete despite intensive research over the last decades. Wing-cracking has been suggested as a mechanism of fracture extension from pre-existent faults with finite length that are induced to shear. The initiation and extension of the wings is believed to be in tensile mode. Open questions concern the variability of the nominal material property controlling tensile fracture initiation and extension, the mode I facture toughness KIC, with in-situ conditions, e.g., its mean-stress dependence. We investigated the fracture-propagation mechanism in different rocks (sandstones and granites) under varying conditions mimicking those representative for geothermal systems. To determine KIC-values we performed 3-point bending experiments. We varied the confining pressure, the piston velocity, and the position of the chevron notch relative to the loading configuration. Additional triaxial experiments at a range of confining pressures were performed to study wing crack propagation from artificial flaws whose geometrical characteristics, i.e., length, width, and orientation relative to the axial load are varied. We monitored acoustic emissions to constrain the spacio-temporal evolution of the fracturing. We found a significant effect of the length of the artificial flaw and the confining pressure on wing-crack initiation but did not observe a systematic dependence

  17. Atomistic aspects of crack propagation along high angle grain boundaries

    Energy Technology Data Exchange (ETDEWEB)

    Farkas, D. [Virginia Polytechnic Inst. and State Univ., Blacksburg, VA (United States). Dept. of Materials Science and Engineering


    The author presents atomistic simulations of the crack tip configuration near a high angle {Sigma} = 5 [001](210) symmetrical tilt grain boundary in NiAl. The simulations were carried out using molecular statics and embedded atom (EAM) potentials. The cracks are stabilized near a Griffith condition involving the cohesive energy of the grain boundary. The atomistic configurations of the tip region are different in the presence of the high angle grain boundary than in the bulk. Three different configurations of the grain boundary were studied corresponding to different local compositions. It was found that in ordered NiAl, cracks along symmetrical tilt boundaries show a more brittle behavior for Al rich boundaries than for Ni-rich boundaries. Lattice trapping effects in grain boundary fracture were found to be more significant than in the bulk.

  18. Effect of Temperature-Force Factors and Concentrator Shape on Impact Fracture Mechanisms of 17Mn1Si Steel

    Directory of Open Access Journals (Sweden)

    S. V. Panin


    Full Text Available The influence of the notch shape on the impact fracture of 17Mn1Si steel is investigated at different temperatures with the focus placed on the low-temperature behavior. An approach towards fracture characterization has been suggested based on the description of elastic-plastic deformation of impact loaded specimens on the stage of crack initiation and growth at ambient and lower temperatures. The analysis of the impact loading diagrams and fracture energy values for the pipe steel 17Mn1Si revealed the fracture mechanisms depending on the notch shape. It was found that the testing temperature reduction played a decisive role in plastic strain localization followed by dynamic fracture of the specimens with differently shaped notches. A classification of fracture macro- and microscopic mechanisms for differently notched specimens tested at different temperatures was proposed which enabled a self-consistent interpretation of impact test results.

  19. 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: [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)


    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.

  20. Ipsilateral simultaneous fracture of the trochlea involving the lateral end clavicle and distal end radius: a rare combination and a unique mechanism of injury

    Directory of Open Access Journals (Sweden)

    Gupta RK


    Full Text Available 【Abstract】Isolated trochlea fracture in adults is a rare surgical entity as compared to its capitellar counterpart. It has been only mentioned sporadically in the literature as case reports. Fracture of the trochlea is accompanied by other elbow injuries like elbow dislocation, capitellum fracture, ulnar fracture and extraarticular condylar fracture. Here we report a unique case of isolated displaced trochlea fracture associated with fractures of the lateral end clavicle and the distal end radius. We propose a unique mechanism for this rare combination of injuries: typical triad of injury, i.e. fracture of the distal end radius with trochlea and fracture of the lateral end of the clavicle. Nonoperative treatment is recommended for undisplaced humeral trochlea fractures; but for displaced ones, anatomical reduction and internal fixation are essential to maintain the congruous trochleacoronoid articulation and hence to maintain the intrinsic stability of the elbow. Key words: Isolated trochlea fracture; Clavicle; Radius fractures

  1. First-order Description of the Mechanical Fracture Behavior of Fine-Grained Surficial Marine Sediments During Gas Bubble Growth (United States)


    10 F04O29 BARRY ET AL.: BUBBLE GROWTH BY FRACTURE P04029 Figure 3. Map of field site. Canard, Nova Scotia, Canada. appears to approximate the...Bottinger. and T. Dahm (2005), Buoyancy-driven fracture ascent: Experiments in layered gelatine. J. Volcano!. Geotherm . Res., 144. 273-285. doi...Journal Article 3. DATES COVERED (From - To) 4. TITLE AND SUBTITLE First-order description of the mechanical fracture behavior of fine-grained

  2. 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


    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.

  3. Fracture Mechanics Analyses of Subsurface Defects in Reinforced Carbon-Carbon Joggles Subjected to Thermo-Mechanical Loads (United States)

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


    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.

  4. Mechanical Models of Bed-Perpendicular Fractures in Layered Rocks Subjected to Extensional Strain (United States)

    Sanz, P.; Pollard, D. D.; Borja, R. I.


    Natural fractures (joints) enhance permeability and therefore are important for the economical production of low-permeability hydrocarbon reservoirs and aquifers. In this work we investigate the formation of bed-perpendicular joints during extension in a stiff brittle layer surrounded by thick softer layers. The quasi-static finite element models consist of three elasto-plastic layers with frictional bedding interfaces and the middle layer contains layer-perpendicular fractures that can accommodate opening at the bedding surface accompanied by interface sliding. The upper and lower boundaries are subject to normal tractions appropriate for the depth of burial. Lateral boundaries are displaced horizontally to represent the extensional tectonic regime. We use an interface model that captures the most important mechanical features during sliding of bedding interfaces and opening of joints: unilateral contact, elastic and plastic relative deformation, tensile strength, cohesion, frictional sliding, and non-associative plastic flow. The constitutive law extends the Coulomb slip criterion to the tensile regime to capture opening of fractures in a quasi-brittle manner. The finite element implementation employs a penalty scheme to impose the contact constraints along the interfaces. The numerical simulations show the effects of mechanical properties of layers and interfaces in the development and spacing of bed-perpendicular joints. We evaluate the concepts of fracture saturation and sequential infilling, and the relationship between joint spacing and layer thickness in the context of the new modeling capabilities.

  5. Exploring particulate retention mechanisms through visualization of E. coli transport through a single, saturated fracture (United States)

    Burke, M. G.; Dickson, S. E.; Schutten, M.


    Groundwater is an extremely valuable resource; a large body of work has been conducted towards remediating, tracking and reducing its contamination. Even so, there are large gaps within the current understanding of groundwater flow and contaminant transport, particularly within fractured media. Fractured media has the ability transport contaminants over longer distances in less time relative to porous media. Furthermore, colloids display unique transport characteristics in comparison to dissolved constituents, including the fact that they typically exhibit earlier initial arrival times. Of particular concern to human health are pathogenic microorganisms, which often originate from fecal contamination. Escherichia coli is a common indicator for fecal contamination; some strains are pathogenic, causing acute illness and sometimes death, in humans. A comprehensive understanding of the transport and retention of E. coli in fractured media will improve our ability to accurately assess whether a site is at risk of becoming contaminated by pathogenic microorganisms. Therefore, the goal of this work is to expand our mechanistic understanding particulate retention, specifically E. coli, in fractures, and the influence of flow rate on these mechanisms. In order to achieve this goal, clear epoxy casts were fabricated of two dolomitic limestone fractures retrieved from a quarry in Guelph, Ontario. Each aperture field was characterized through hydraulic and tracer tests, and measured directly using the light transmission technique. E. coli RS2-GFP, which is a non-pathogenic strain of E. coli that has been tagged with a green fluorescent protein, was injected into the cast under three separate specific discharges ranging from 5 - 30 m/d. These experiments were conducted on an ultraviolet light source, and a high resolution charged-couple device (CCD) camera was employed to take photos at regular intervals in order to capture the dominant flow paths and the areas of retention

  6. Fracture mechanics behaviour of ductile cast iron and martensitic steel at elevated temperature

    Energy Technology Data Exchange (ETDEWEB)

    Udoh, A.; Klenk, A.; Roos, E. [Stuttgart Univ. (Germany). MPA; Sasikala, G. [Indira Gandhi Centre for Atomic Research (IGCAR), Kalpakkam (India)


    Ductile cast iron is employed increasingly due to the advantages regarding foundry practice, design as well as economic advantages in the thermal machinery and power plant construction. It is employed preferably where higher toughness is required, e.g. in valves or thickwalled components of thermal or nuclear power plants. For this reason the safety and availability criteria for fracture mechanics assessment of components are necessary in addition to the conventional strength design. Alloys with silicon and molybdenum are developed for the application at higher temperatures. The increase in the thermal efficiency of fossil fired steam power plant that can be achieved by increasing the steam temperature and pressure has provided the incentive for development of the 9% chromium steels towards improved creep rupture strength. During the last twenty years, three such steels, P91 (9Cr-1Mo-VNb), E911 (9Cr-1Mo-1W-V-Nb) and P92 (9Cr-0,5Mo-1,8W-V-Nb), have been developed for commercial production. For application in piping systems and boiler construction sufficient reliable information concerning the long-term behaviour are necessary as well as knowledge about fracture mechanical behaviour in order to ensure integrity of components. Different methods to characterize fracture behaviour of ductile cast iron and martensitic steel at elevated temperature have been employed. The RBR method is a novel and simple method developed at IGCAR for characterizing the ductile fracture behaviour of materials from tensile tests of cylindrical specimens. Using the data evaluated at both institutes, a fracture mechanics characterisation by determining crack initiation and crack resistance by J{sub R}-curves and RBR parameters is presented. (orig.)

  7. A damage-mechanics model for fracture nucleation and propagation

    CERN Document Server

    Yakovlev, G; Turcotte, D L; Rundle, J B; Klein, W; 10.1016/j.tafmec.2010.06.002.


    In this paper a composite model for earthquake rupture initiation and propagation is proposed. The model includes aspects of damage mechanics, fiber-bundle models, and slider-block models. An array of elements is introduced in analogy to the fibers of a fiber bundle. Time to failure for each element is specified from a Poisson distribution. The hazard rate is assumed to have a power-law dependence on stress. When an element fails it is removed, the stress on a failed element is redistributed uniformly to a specified number of neighboring elements in a given range of interaction. Damage is defined to be the fraction of elements that have failed. Time to failure and modes of rupture propagation are determined as a function of the hazard-rate exponent and the range of interaction.

  8. Atomistic Determination of Cross-Slip Pathway and Energetics

    DEFF Research Database (Denmark)

    Rasmussen, Torben; Jacobsen, Karsten Wedel; Leffers, Torben;


    The mechanism for cross slip of a screw dislocation in Cu is determined by atomistic simulations that only presume the initial and final states of the process. The dissociated dislocation constricts in the primary plane and redissociates into the cross-slip plane while still partly in the primary...

  9. A mechanical model for predicting the probability of osteoporotic hip fractures based in DXA measurements and finite element simulation

    Directory of Open Access Journals (Sweden)

    López Enrique


    Full Text Available Abstract Background Osteoporotic hip fractures represent major cause of disability, loss of quality of life and even mortality among the elderly population. Decisions on drug therapy are based on the assessment of risk factors for fracture, from BMD measurements. The combination of biomechanical models with clinical studies could better estimate bone strength and supporting the specialists in their decision. Methods A model to assess the probability of fracture, based on the Damage and Fracture Mechanics has been developed, evaluating the mechanical magnitudes involved in the fracture process from clinical BMD measurements. The model is intended for simulating the degenerative process in the skeleton, with the consequent lost of bone mass and hence the decrease of its mechanical resistance which enables the fracture due to different traumatisms. Clinical studies were chosen, both in non-treatment conditions and receiving drug therapy, and fitted to specific patients according their actual BMD measures. The predictive model is applied in a FE simulation of the proximal femur. The fracture zone would be determined according loading scenario (sideway fall, impact, accidental loads, etc., using the mechanical properties of bone obtained from the evolutionary model corresponding to the considered time. Results BMD evolution in untreated patients and in those under different treatments was analyzed. Evolutionary curves of fracture probability were obtained from the evolution of mechanical damage. The evolutionary curve of the untreated group of patients presented a marked increase of the fracture probability, while the curves of patients under drug treatment showed variable decreased risks, depending on the therapy type. Conclusion The FE model allowed to obtain detailed maps of damage and fracture probability, identifying high-risk local zones at femoral neck and intertrochanteric and subtrochanteric areas, which are the typical locations of

  10. Certain Discrete Element Methods in Problems of Fracture Mechanics

    Directory of Open Access Journals (Sweden)

    P. P. Procházka


    Full Text Available In this paper two discrete element methods (DEM are discussed. The free hexagon element method is considered a powerful discrete element method, which is broadly used in mechanics of granular media. It substitutes the methods for solving continuum problems. The great disadvantage of classical DEM, such as the particle flow code (material properties are characterized by spring stiffness, is that they have to be fed with material properties provided from laboratory tests (Young's modulus, Poisson's ratio, etc.. The problem consists in the fact that the material properties of continuum methods (FEM, BEM are not mutually consistent with DEM. This is why we utilize the principal idea of DEM, but cover the continuum by hexagonal elastic, or elastic-plastic, elements. In order to complete the study, another one DEM is discussed. The second method starts with the classical particle flow code (PFC - which uses dynamic equilibrium, but applies static equilibrium. The second method is called the static particle flow code (SPFC. The numerical experience and comparison numerical with experimental results from scaled models are discussed in forthcoming paper by both authors.

  11. Fracture Mechanics Analyses of Reinforced Carbon-Carbon Wing-Leading-Edge Panels (United States)

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


    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.

  12. Effect laws and mechanisms of different temperatures on isothermal tensile fracture morphologies of high-strength boron steel

    Institute of Scientific and Technical Information of China (English)

    刘佳宁; 宋燕利; 路珏; 郭巍


    The fracture behaviour and morphologies of high-strength boron steel were investigated at different temperatures at a constant strain rate of 0.1 s−1 based on isothermal tensile tests. Fracture mechanisms were also analyzed based on the relationship between microstructure transformation and continuous cooling transformation (CCT) curves. It is found that 1) fractures of the investigated steel at high temperatures are dimple fractures; 2) the deformation of high-strength boron steel at high temperatures accelerates diffusion transformations;thus, to obtain full martensite, a higher cooling rate is needed;and 3) the investigated steel has the best plasticity when the deformation temperature is 750 °C.

  13. A qualitative engineering analysis of occlusion effects on mandibular fracture repair mechanics. (United States)

    Katona, Thomas R


    Objectives. The purpose of this analytical study was to examine and critique the engineering foundations of commonly accepted biomechanical principles of mandible fracture repair. Materials and Methods. Basic principles of static equilibrium were applied to intact and plated mandibles, but instead of the traditional lever forces, the mandibles were subjected to more realistic occlusal forces. Results. These loading conditions produced stress distributions within the intact mandible that were very different and more complex than the customary lever-based gradient. The analyses also demonstrated the entirely different mechanical environments within intact and plated mandibles. Conclusions. Because the loading and geometry of the lever-idealized mandible is incomplete, the associated widely accepted bone stress distribution (tension on top and compression on the bottom) should not be assumed. Furthermore, the stress gradients within the bone of an intact mandible should not be extrapolated to the mechanical environment within the plated regions of a fractured mandible.

  14. An Analytical Model for Fatigue Life Prediction Based on Fracture Mechanics and Crack Closure

    DEFF Research Database (Denmark)

    Ibsø, Jan Behrend; Agerskov, Henning


    Fatigue in steel structures subjected to stochastic loading is studied. Of special interest is the problem of fatigue damage accumulation and in this connection, a comparison between experimental results and results obtained using fracture mechanics. Fatigue test results obtained for welded plate...... test specimens are compared with fatigue life predictions using a fracture mechanics approach. In the calculation of the fatigue life, the influence of the welding residual stresses and crack closure on the fatigue crack growth is considered. A description of the crack closure model for analytical...... determination of the fatigue life is included. Furthermore, the results obtained in studies of the various parameters that have an influence on the fatigue life, are given. A very good agreement between experimental and analytical results is obtained, when the crack closure model is used in determination...

  15. Fracture mechanics of materials under compression along cracks (survey). Structural materials (United States)

    Guz', A. N.; Nazarenko, V. M.


    The results elucidated in this paper and in [A. N. Guz' and V. M. Nazarenko, "Fracture mechanics of materials under compression along cracks (Survey). Highly-elastic material," Prikl. Mekh., 25, No. 9, 3-32 (1989)] of investigations on compression of materials along defects of crack type are exact since they are obtained within the framework of rigorous three-dimensional linearized formulations. Let us note that the fact that the mentioned result are standards for approximate approaches is of independent value. The investigations performed whose survey is represented above should be considered the beginning of a study of problems of material fracture under compression along cracks in a rigorous formulation (within the framework of the linearized mechanics of deformable bodies).

  16. The Impact of Cracked Microparticles on the Mechanical and the Fracture Behavior of Particulate Composite

    Directory of Open Access Journals (Sweden)

    Waleed K. Ahmed


    Full Text Available In this investigation a metallic composite with a cracked micro has been investigated using finite element method. Particulate reinforced composite is one of the most favorite composite due to it quit isotopic properties. While being in metallic status, the micro particles may be subjected to deterioration which lead to crack embedded initiation within the micro particle. This crack lead to degradation in the mechanical as well as the fracture behavior in the composite. Mechanical characteristics through estimating the stiffness of the composite has been studied for intact and cracked particles as well as for the fractured particles. It has been found that as long as the crack propagates in the micro particle, there is reduction in the composite stiffness and increases in the stress intensity factor (SIF.

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

    Directory of Open Access Journals (Sweden)

    Ingrid Tomac


    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.

  18. Correlation of fracture features with mechanical properties as a function of strain rate in zirconium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Das, Arpan; Chakravartty, Jayanta Kumar [Bhabha Atomic Research Centre (Department of Atomic Energy), Trombay, Mumbai, Maharashtra (India). Mechanical Metallurgy Div.


    Two dimensional fracture features (i. e., dimple diameter, extent of tearing ridges etc.) quantified from the tensile fractographs are investigated to predict the nature of variation in mechanical properties with strain rates in zirconium alloys tested under ambient temperature where the initial inclusion or other second phase particle contents were kept unaltered. It has been possible to reasonably estimate the strength and ductility properties of an alloy from a systematic analysis of fractographic features.

  19. Hip fracture presenting as mechanical low back pain subsequent to a fall: a case study


    Gleberzon, Brian; Hyde, David


    This case chronicles the assessment and clinical management of a 54 year old female patient who presented with post traumatic lower back, hip and lower extremity pain, initially attributed to mechanical low back pain but ultimately diagnosed as a hip fracture. This case study illustrates a number of important issues germane to chiropractic care. These are; the importance of using different assessment procedures, combined with clinical experience, in order to differentiate between those patien...


    Institute of Scientific and Technical Information of China (English)

    王承强; 郑长良


    Based on the Hamiltonian governing equations of plane elasticity for sectorial domain, the variable separation and eigenfunction expansion techniques were employed to develop a novel analytical finite element for the fictitious crack model in fracture mechanics of concrete. The new analytical element can be implemented into FEM program systems to solve fictitious crack propagation problems for concrete cracked plates with arbitrary shapes and loads. Numerical results indicate that the method is more efficient and accurate than ordinary finite element method.

  1. Applications of FEM and BEM in two-dimensional fracture mechanics problems (United States)

    Min, J. B.; Steeve, B. E.; Swanson, G. R.


    A comparison of the finite element method (FEM) and boundary element method (BEM) for the solution of two-dimensional plane strain problems in fracture mechanics is presented in this paper. Stress intensity factors (SIF's) were calculated using both methods for elastic plates with either a single-edge crack or an inclined-edge crack. In particular, two currently available programs, ANSYS for finite element analysis and BEASY for boundary element analysis, were used.

  2. Mechanism of fracture in macro- and micro-scales in hollow centre cracked disc specimen

    Institute of Scientific and Technical Information of China (English)

    M.Eftekhari; A.Baghbanan; H.Hashemolhosseini; H.Amrollahi


    The hollow centre cracked disc(HCCD) specimen is one of the suggested alternative methods for determining the fracture toughness of rock. This work aims to investigate the fracture mechanism in HCCD in macro- and micro-scales using numerical methods, extended finite element method(X-FEM) and particle flow code(PFC) modeling, respectively. In the X-FEM, heaviside and near-tip enrichment functions are employed to consider the presence of the crack in the model. In PFC modeling the movement and interaction of stressed assemblies of rigid spherical particles are modeled using the distinct element method(DEM). A numerical code called MEX-FEM based on XFEM has been developed to simulate the problems involving crack. The models of pure modes I and Ⅱ in macro-scale are simulated in micro-scale. The results show that dimensionless stress intensity factors(YI, YⅡ) for pure modes I and Ⅱ increase by increasing the crack length ratio. The angle at which the pure mode Ⅱ occurs decreases by increasing the crack length ratio. In mixed mode I-Ⅱ, The value of YI decreases by increasing the crack angle, while the value of YⅡ increases to a given crack angle and then it decreases. Moreover, the fracture in micro-scale, unlike the macro-scale, includes a combination of different modes of fracturing.

  3. Mechanism of fracture in macro- and micro-scales in hollow centre cracked disc specimen

    Institute of Scientific and Technical Information of China (English)

    M. Eftekhari; A. Baghbanan; H. Hashemolhosseini; H. Amrollahi


    The hollow centre cracked disc (HCCD) specimen is one of the suggested alternative methods for determining the fracture toughness of rock. This work aims to investigate the fracture mechanism in HCCD in macro- and micro-scales using numerical methods, extended finite element method (X-FEM) and particle flow code (PFC) modeling, respectively. In the X-FEM, heaviside and near-tip enrichment functions are employed to consider the presence of the crack in the model. In PFC modeling the movement and interaction of stressed assemblies of rigid spherical particles are modeled using the distinct element method (DEM). A numerical code called MEX-FEM based on XFEM has been developed to simulate the problems involving crack. The models of pure modes I and II in macro-scale are simulated in micro-scale. The results show that dimensionless stress intensity factors (YI,YI) for pure modes I and II increase by increasing the crack length ratio. The angle at which the pure mode II occurs decreases by increasing the crack length ratio. In mixed mode I-II, The value ofYI decreases by increasing the crack angle, while the value ofYI increases to a given crack angle and then it decreases. Moreover, the fracture in micro-scale, unlike the macro-scale, includes a combination of different modes of fracturing.

  4. Atomistic simulations of nanoscale electrokinetic transport (United States)

    Liu, Jin; Wang, Moran; Chen, Shiyi; Robbins, Mark


    An efficient and accurate algorithm for atomistic simulations of nanoscale electrokinetic transport will be described. The long-range interactions between charged molecules are treated using the Particle-Particle Particle-Mesh method and the Poisson equation for the electric potential is solved using an efficient multi-grid method in physical space. Using this method, we investigate two important applications in electrokinetic transport: electroosmotic flow in rough channels and electowetting on dielectric (EWOD). Simulations of electroosmotic and pressure driven flow in exactly the same geometries show that surface roughness has a much more pronounced effect on electroosmotic flow. Analysis of local quantities shows that this is because the driving force in electroosmotic flow is localized near the wall where the charge density is high. In atomistic simulations of EWOD, we find the contact angle follows the continuum theory at low voltages and always saturates at high voltages. Based on our results, a new mechanism for saturation is identified and possible techniques for controlling saturation are proposed. This work is supported by the National Science Foundation under Grant No. CMMI 0709187.

  5. Mechanical Properties and Fracture Behavior of Cu-Co-Be Alloy after Plastic Deformation and Heat Treatment

    Institute of Scientific and Technical Information of China (English)

    Yan-jun ZHOU; Ke-xing SONG; Jian-dong XING; Zhou LI; Xiu-hua GUO


    Mechanical properties and fracture behavior of Cu-0.84Co-0.23Be alloy after plastic deformation and heat treatment were comparatively investigated.Severe plastic deformation by hot extrusion and cold drawing was adopted to induce large plastic strain of Cu-0.84Co-0.23Be alloy.The tensile strength and elongation are up to 476.6 MPa and 1 8%,respectively.The fractured surface consists of deep dimples and micro-voids.Due to the formation of su-persaturated solid solution on the Cu matrix by solution treatment at 950 ℃ for 1 h,the tensile strength decreased to 271.9 MPa,while the elongation increased to 42%.The fracture morphology is parabolic dimple.Furthermore,the tensile strength increased significantly to 580.2 MPa after aging at 480 ℃ for 4 h.During the aging process,a large number of precipitates formed and distributed on the Cu matrix.The fracture feature of aged specimens with low elongation (4.6%)exhibits an obvious brittle intergranular fracture.It is confirmed that the mechanical properties and fracture behavior are dominated by the microstructure characteristics of Cu-0.84Co-0.23Be alloy after plastic de-formation and heat treatment.In addition,the fracture behavior at 450 ℃ of aged Cu-0.84Co-0.23Be alloy was also studied.The tensile strength and elongation are 383.6 MPa and 11.2%,respectively.The fractured morphologies are mainly candy-shaped with partial parabolic dimples and equiaxed dimples.The fracture mode is multi-mixed mechanism that brittle intergranular fracture plays a dominant role and ductile fracture is secondary.

  6. Simulation of Fracture Nucleation in Cross-Linked Polymer Networks (United States)

    Moller, J. C.; Barr, S. A.; Schultz, E. J.; Breitzman, T. D.; Berry, R. J.


    A novel atomistic simulation method is developed whereby polymer systems can undergo strain-rate-controlled deformation while bond scission is enabled. The aim is to provide insight into the nanoscale origins of fracture. Various highly cross-linked epoxy systems including various resin chain lengths and levels of nonreactive dilution were examined. Consistent with the results of physical experiments, cured resin strength increased and ductility decreased with increasing cross-link density. An analysis of dihedral angle activity shows the locations in the molecular network that are most absorptive of mechanical energy. Bond scission occurred principally at cross-link sites as well as between phenyl rings in the bisphenol moiety. Scissions typically occurred well after yield and were accompanied by steady increases in void size and dihedral angle motion between bisphenol moieties and at cross-link sites. The methods developed here could be more broadly applied to explore and compare the atomistic nature of deformation for various polymers such that mechanical and fracture properties could be tuned in a rational way. This method and its results could become part of a solution system that spans multiple length and time scales and that could more completely represent such mechanical events as fracture.

  7. Damage and fracture mechanism of 6063 aluminum alloy under three kinds of stress states

    Institute of Scientific and Technical Information of China (English)

    ZHU Hao; ZHU Liang; CHEN Jianhong


    To study the damage and fracture mechanism of 6063 aluminum alloy under different stress states,three kinds of representative triaxial stress states have been adopted,namely smooth tensile,notch tensile,and pure shear.The results of the study indicate the following.During the notch tensile test,a relatively higher stress triaxiality appears in the root of the notch.With the applied loading increasing,the volume fraction of microvoids in the root of the notch increases continuously.When it reaches the critical volume fraction of microvoids,the specimen fractures.During the pure shear test,the stress triaxiality almost equals to zero,and there is almost no microvoids but a shear band at the center of the butterfly specimen.The shear band results from nonuniform deformation constantly under the shear stress.With stress concentration,cracks are produced within the shear band and are later coalesced.When the equivalent plastic strain reaches the critical value (equivalent plastic fracture strain),the butterfly specimen fractures.During the smooth tensile test,the stress triaxiality in the gauge of the specimen remains constant at 0.33.Thus,the volume of microvoids of the smooth tensile test is less than that of the notch tensile test and the smooth specimen fractures due to shearing between microvoids.The G-T-N damage model and Johnson-Cook model are used to simulate the notch tensile and shear test,respectively.The simulated engineering stress-strain curves fit the measured engineering stress-strain curves very well.In addition,the empirical damage evolution equation for the notch specimen is obtained from the experimental data and FEM simulations.

  8. Ballistic Fracturing of Carbon Nanotubes. (United States)

    Ozden, Sehmus; Machado, Leonardo D; Tiwary, ChandraSekhar; Autreto, Pedro A S; Vajtai, Robert; Barrera, Enrique V; Galvao, Douglas S; Ajayan, Pulickel M


    Advanced materials with multifunctional capabilities and high resistance to hypervelocity impact are of great interest to the designers of aerospace structures. Carbon nanotubes (CNTs) with their lightweight and high strength properties are alternative to metals and/or metallic alloys conventionally used in aerospace applications. Here we report a detailed study on the ballistic fracturing of CNTs for different velocity ranges. Our results show that the highly energetic impacts cause bond breakage and carbon atom rehybridizations, and sometimes extensive structural reconstructions were also observed. Experimental observations show the formation of nanoribbons, nanodiamonds, and covalently interconnected nanostructures, depending on impact conditions. Fully atomistic reactive molecular dynamics simulations were also carried out in order to gain further insights into the mechanism behind the transformation of CNTs. The simulations show that the velocity and relative orientation of the multiple colliding nanotubes are critical to determine the impact outcome.

  9. Atomistic Processes of Catalyst Degradation

    Energy Technology Data Exchange (ETDEWEB)



    The purpose of this cooperative research and development agreement (CRADA) between Sasol North America, Inc., and the oak Ridge National Laboratory (ORNL) was to improve the stability of alumina-based industrial catalysts through the combination of aberration-corrected scanning transmission electron microscopy (STEM) at ORNL and innovative sample preparation techniques at Sasol. Outstanding progress has been made in task 1, 'Atomistic processes of La stabilization'. STEM investigations provided structural information with single-atom precision, showing the lattice location of La dopant atoms, thus enabling first-principles calculations of binding energies, which were performed in collaboration with Vanderbilt University. The stabilization mechanism turns out to be entirely due to a particularly strong binding energy of the La tom to the {gamma}-alumina surface. The large size of the La atom precludes incorporation of La into the bulk alumina and also strains the surface, thus preventing any clustering of La atoms. Thus highly disperse distribution is achieved and confirmed by STEM images. la also affects relative stability of the exposed surfaces of {gamma}-alumina, making the 100 surface more stable for the doped case, unlike the 110 surface for pure {gamma}-alumina. From the first-principles calculations, they can estimate the increase in transition temperature for the 3% loading of La used commercially, and it is in excellent agreement with experiment. This task was further pursued aiming to generate useable recommendations for the optimization of the preparation techniques for La-doped aluminas. The effort was primarily concentrated on the connection between the boehmitre-{gamma}-Al{sub 2}O{sub 3} phase transition (i.e. catalyst preparation) and the resulting dispersion of La on the {gamma}-Al{sub 2}O{sub 3} surface. It was determined that the La distribution on boehmite was non-uniform and different from that on the {gamma}-Al{sub 2}O{sub 3} and thus

  10. Atomistic Simulations of Bicelle Mixtures


    Jiang, Yong; Wang, Hao; Kindt, James T.


    Mixtures of long- and short-tail phosphatidylcholine lipids are known to self-assemble into a variety of aggregates combining flat bilayerlike and curved micellelike features, commonly called bicelles. Atomistic simulations of bilayer ribbons and perforated bilayers containing dimyristoylphosphatidylcholine (DMPC, di-C14 tails) and dihexanoylphosphatidylcholine (DHPC, di-C6 tails) have been carried out to investigate the partitioning of these components between flat and curved microenvironmen...

  11. Computational implementation of the multi-mechanism deformation coupled fracture model for salt

    Energy Technology Data Exchange (ETDEWEB)

    Koteras, J.R.; Munson, D.E.


    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.

  12. 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)


    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)

  13. A novel Lagrangian approach for the stable numerical simulation of fault and fracture mechanics (United States)

    Franceschini, Andrea; Ferronato, Massimiliano; Janna, Carlo; Teatini, Pietro


    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.

  14. Fracture mechanical investigation of a thermo shock scenario for a VVER-440 RPV

    Energy Technology Data Exchange (ETDEWEB)

    Altstadt, E.; Abendroth, Martin [Forschungszentrum Dresden-Rossendorf (Germany)


    The paper describes the modelling and evaluation of a pressurized thermal shock (PTS) scenario in a VVER-440 reactor pressure vessel due to an emergency cooling. An axially oriented semi-elliptical crack is assumed to be located in the core welding seam. Two variants of fracture mechanical evaluation are performed: the analysis of a sub-cladding crack and of a surface crack. Three-dimensional finite element (FE) models are used to compute the global transient temperature and stress-strain fields. By using a three-dimensional submodel, which includes the crack, the local crack stress-strain field is obtained. Within the subsequent postprocessing using the J-integral technique the stress intensity factors K{sub I} along the crack front are obtained. The FE results are compared to analytical calculations proposed in the VERLIFE code. The stress intensity factors are compared to the fracture toughness curve of the weld material. (orig.)

  15. Probabilistic Fatigue Life Prediction of Bridge Cables Based on Multiscaling and Mesoscopic Fracture Mechanics

    Directory of Open Access Journals (Sweden)

    Zhongxiang Liu


    Full Text Available Fatigue fracture of bridge stay-cables is usually a multiscale process as the crack grows from micro-scale to macro-scale. Such a process, however, is highly uncertain. In order to make a rational prediction of the residual life of bridge cables, a probabilistic fatigue approach is proposed, based on a comprehensive vehicle load model, finite element analysis and multiscaling and mesoscopic fracture mechanics. Uncertainties in both material properties and external loads are considered. The proposed method is demonstrated through the fatigue life prediction of cables of the Runyang Cable-Stayed Bridge in China, and it is found that cables along the bridge spans may have significantly different fatigue lives, and due to the variability, some of them may have shorter lives than those as expected from the design.


    Energy Technology Data Exchange (ETDEWEB)

    Walter, Matthew [Structural Integrity Associates, Inc.; Yin, Shengjun [ORNL; Stevens, Gary [U.S. Nuclear Regulatory Commission; Sommerville, Daniel [Structural Integrity Associates, Inc.; Palm, Nathan [Westinghouse Electric Company, Cranberry Township, PA; Heinecke, Carol [Westinghouse Electric Company, Cranberry Township, PA


    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

  17. Dyke propagation and tensile fracturing at high temperature and pressure, insights from experimental rock mechanics. (United States)

    Bakker, Richard; Benson, Philip; Vinciguerra, Sergio


    It is well known that magma ascends trough the crust by the process of dyking. To enable dyke emplacement, basement rocks typically fail in a mode 1 fracture, which acts as conduits for magma transport. An overpressure of the ascending magma will further open/widen the fracture and permit the fracture to propagate. In order to further understand the emplacement and arrest of dykes in the subsurface, analogue and numerical studies have been conducted. However, a number of assumptions regarding rock mechanical behaviour frequently has to be made as such data are very hard to directly measure at the pressure/temperature conditions of interest: high temperatures at relatively shallow depths. Such data are key to simulating the magma intrusion dynamics through the lithologies that underlie the volcanic edifice. Here we present a new laboratory setup, which allows us to investigate the tensile fracturing properties under both temperature and confining pressure, and the emplacement of molten material within the newly formed fracture. We have modified a traditional tri-axial test assembly setup to be able to use a Paterson type High Pressure, High Temperature deformation apparatus. Sample setup consists of cylindrical rock samples with a 22 mm diameter and a 8 mm bore at their centre, filled with a material chosen as such that it's in a liquid state at the experimental temperature and solid at room temperature to enable post-experiment analysis. The top and lower parts of the rock sample are fitted with plugs, sealing in the melt. The assembly is then placed between ceramic pistons to ensure there are no thermal gradients across the sample. The assembly is jacketed to ensure the confining medium (Ar) cannot enter the assembly. A piston is driven into the sample such that the inner conduit materials pressure is slowly increased. At some point a sufficient pressure difference between the inner and outer surfaces causes the sample to deform and fail in the tensile regime


    Directory of Open Access Journals (Sweden)



    Full Text Available Ground water is considered to be the best safe protected drinking water source and bore wells are drilled in hard crystalline rock terrains for drinking water, irrigation and industrial purposes. Even after scientific location, some bore wells yield inadequate quantity of water or fail to yield. The success of bore wells depend largely onnumber, length, dilation and interconnectivity of fractures encountered on drilling. Considering the cost factor involved in drilling a new bore well, rejuvenation of failed bore well through some technique is thought off. The innovative technology of ‘hydro fracturing’ is a new interdisciplinary approach of Hydro mechanical tostimulate the bore well to improve the yield by applying water pressure into bore well by using a heavy duty mechanical compressor. The hydro fracturing technique was first used in oil well to increase oil and gas production. In this research paper, the hydraulic pressure applied increases with depth reflecting the rigidness,toughness of rock. The fracture development, propagation of fracture and stress behavior depends on the physical and mechanical properties of rocks. The hydro fracturing process has been conducted in three depth zones ranging from 8 m to 45 m below ground level in Annavasal union of Pudukottai district, Tamil Nadu, India. The Pressure application varies depending on the geological formations. This study pertains to a part of research work. The minimum and maximum pressures applied are 1 and 10 N/mm2 respectively. The maximumpressure of 10 N/mm2 has been recorded in the third zone, where the country rock is charnockite which is generally massive, compact and dense rock. Generally for the igneous rock in the third zone in the depth range of 40 to 50 m, more than 7 N/mm2 of pressure has been applied indicating extremely strong nature with uniaxial compressive strength 100 – 300 N/mm2, tensile strength 7- 25 N/mm2. Out of 37 bore wells 32.4% of bore wells have shown

  19. Characterization of an injectable, degradable polymer for mechanical stabilization of mandibular fractures. (United States)

    Henslee, Allan M; Yoon, Diana M; Lu, Benjamin Y; Yu, Joseph; Arango, Andrew A; Marruffo, Liann P; Seng, Luke; Anver, Tamir D; Ather, Hunaiza; Nair, Manitha B; Piper, Sean O; Demian, Nagi; Wong, Mark E K; Kasper, F Kurtis; Mikos, Antonios G


    This study investigated the use of injectable poly(propylene fumarate) (PPF) formulations for mandibular fracture stabilization applications. A full factorial design with main effects analysis was employed to evaluate the effects of the PPF:N-vinyl pyrrolidone (NVP, crosslinking agent) ratio and dimethyl toluidine (DMT, accelerator) concentration on key physicochemical properties including setting time, maximum temperature, mechanical properties, sol fraction, and swelling ratio. Additionally, the effects of formulation crosslinking time on the mechanical and swelling properties were investigated. The results showed that increasing the PPF:NVP ratio from 3:1 to 4:1 or decreasing the DMT concentration from 0.05 to 0.01 v/w % significantly decreased all mechanical properties as well as significantly increased the sol fraction and swelling ratio. Also, increasing the crosslinking time at 37°C from 1 to 7 days significantly increased all mechanical properties and decreased both the sol fraction and swelling ratio. This study further showed that the flexural stiffness of ex vivo stabilized rabbit mandibles increased from 1.7 ± 0.3 N/mm with a traditional mini-plate fixator to 14.5 ± 4.1 N/mm for the 4:1 (0.05 v/w % DMT) PPF formulation at day 1. Overall, the formulations tested in this study were found to have properties suitable for potential further consideration in mandibular fracture fixation applications.

  20. 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


    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.

  1. A rare case of bicondylar Hoffa fracture associated with ipsilateral tibial spine avulsion and extensor mechanism disruption

    Institute of Scientific and Technical Information of China (English)

    Kamal Bali; Aditya Krishna Mootha; Vibhu Krishnan; Vishal Kumar; Saurabh Rawall


    Intra-articular coronal fractures (Hoffas fractures) of distal femur are rare. Although bicondylar involvement in these fractures has been reported in the literature in association with high velocity traumata, the occurrence of these fractures involving extensor mechanism rupture and avulsion of ipsilateral tibial spine is extremely rare. To our acquaintance, such a fracture pattern has not yet been reported in the literature so far. In this article, we report one such case and discuss the importance of early diagnosis and prompt internal fixation in the management of such cases. We believe that these rare combinations of injuries should be treated aggressively by early open reduction and anatomic rigid internal fixation in order toachieve good recovery of function.

  2. Fracture mechanisms in dual phase steels based on the acicular ferrite + martensite/austenite microstructure (United States)

    Poruks, Peter

    The fracture mechanisms of low carbon microalloyed plate steels based on the acicular ferrite + marten site/austenite microstructure (AF + M/A) are investigated. The final microstructure consists of a dispersed phase of submicron equi-axed martensite particles with a bainitic ferrite matrix. A series of plates with M/A volume fractions of 0.076--0.179 are studied. Brittle fracture is investigated by Instrumented Charpy impact testing of samples at -196°C and subsequent metallography. The M/A particles are identified as the crack nucleation sites and the cleavage fracture stress calculated to be 2400 MPa in a complete AF microstrucuture. This value is significantly larger than in steels that contain significant proportions of conventional bainite. Standard Charpy and Instrumented Charpy impact testing is conducted through a temperature range from -80 to + 22°C to study ductile fracture behaviour. The total absorbed energy is separated into energies of crack nucleation and of crack propagation. It is found that the energy of crack nucleation is weakly dependent on the volume fraction of M/A and completely independent of temperature over the range studied. The crack propagation energy varies significantly with both variables, decreasing with increased volume fraction of M/A and with decreasing temperature. The peak load in the instrumented Charpy data is used to calculate the dynamic fracture toughness, KId, which is found to be 105--120 MPa-m1/2. The void nucleation and void growth stages of ductile fracture are studied by metallographic examination of tensile bars. The sites of void nucleation are identified as inclusions and M/A particles. Voids nucleate at the M/A particles by decohesion of the particle-matrix interface. A constant void nucleation strain of epsilon = 0.90 +/- 0.05 is measured for all of the samples independent of the volume fraction of M/A. A stress-based criterion is used to predict void nucleation and the interface strength is determined to be

  3. Tribological performance evaluation of tungsten carbide-based cermets and development of a fracture mechanics wear model

    Energy Technology Data Exchange (ETDEWEB)

    Bhagat, R.B. [Pennsylvania State Univ., State College, PA (United States). Applied Research Lab.; Conway, J.C. Jr. [Pennsylvania State Univ., State College, PA (United States). Applied Research Lab.; Amateau, M.F. [Pennsylvania State Univ., State College, PA (United States). Applied Research Lab.; Brezler, R.A. III [Pennsylvania State Univ., State College, PA (United States). Applied Research Lab.


    Tungsten carbide tools may exhibit sudden brittle fracture at high stresses such as are encountered in shear and slitter knives. This has limited the use of tungsten carbide tools to certain applications in spite of their high hardness and wear resistance. The objective of this investigation is to evaluate the tribological performance of selected cermets and develop a fracture mechanics wear model. Six compositions of WC-Co materials (Co ranging from 4 to 30% by weight) with or without TiC, NbC, TaC, or Mo{sub 2}C were selected for relating wear modes of these tool materials to pertinent mechanical properties such as fracture toughness and hardness. The influence of mechanical properties such as Young`s modulus, hardness, fracture toughness, modulus of rupture, and Weibull modulus on wear rates and wear modes of the selected materials is presented and discussed. The major mechanisms of wear in WC-Co materials are discussed as they apply to the development of suitable relationships between wear and mechanical properties. The wear process is by the transfer of steel from the ring to the cemented carbide block specimens, initiation of mode I cracks normal to the mating surface, propagation of mode II cracks parallel to the wear surfaces and the subsequent separation of platelets with adhered WC and Co particles through adhesive forces with the steel ring. The wear rates of the cermets do not show a consistent relationship with mode I or mode II fracture toughness, but a general trend of decreasing wear rate with hardness is seen. This suggests that the tribological performance of these cermets depends on certain specific functions of pertinent parameters including fracture toughness, hardness, applied load, coefficient of friction and microstructural characteristics. A fracture mechanics-based wear model has been developed to relate the steady state wear rate (W{sub ss}) to hardness, mode II fracture toughness, coefficient of friction, and applied load. (orig./MM)

  4. Low-temperature embrittlement and fracture of metals with different crystal lattices – Dislocation mechanisms

    Directory of Open Access Journals (Sweden)

    V.M. Chernov


    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.

  5. Friction Stir-Welded Titanium Alloy Ti-6Al-4V: Microstructure, Mechanical and Fracture Properties (United States)

    Sanders, D. G.; Edwards, P.; Cantrell, A. M.; Gangwar, K.; Ramulu, M.


    Friction stir welding (FSW) has been refined to create butt welds from two sheets of Ti-6Al-4V alloy to have an ultra-fine grain size. Weld specimen testing was completed for three different FSW process conditions: As welded, stress relieved, stress relieved and machined, and for the un-welded base material. The investigation includes macrostructure, microstructure, microhardness, tensile property testing, notched bar impact testing, and fracture toughness evaluations. All experiments were conducted in accordance with industry standard testing specifications. The microstructure in the weld nugget was found to consist of refined and distorted grains of alpha in a matrix of transformed beta containing acicular alpha. The enhanced fracture toughness of the welds is a result of increased hardness, which is attributed to an increase in alpha phase, increase in transformed beta in acicular alpha, and grain refinement during the weld process. The noted general trend in mechanical properties from as welded, to stress relieved, to stress relieved and machined conditions exhibited a decrease in ultimate tensile strength, and yield strength with a small increase in ductility and a significant increase in fracture toughness.

  6. Scalable Atomistic Simulation Algorithms for Materials Research

    Directory of Open Access Journals (Sweden)

    Aiichiro Nakano


    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.

  7. Strontium Is Incorporated into the Fracture Callus but Does Not Influence the Mechanical Strength of Healing Rat Fractures

    DEFF Research Database (Denmark)

    Brüel, Annemarie; Olsen, Jakob; Birkedal, Henrik;


    Strontium ranelate (SrR) is a new agent used in the treatment of osteoporosis and is suggested to reduce bone resorption and increase bone formation. We investigated whether SrR influences the macro- and nanomechnical properties of healing fractures in rats. A closed tibia fracture model was used...... to study fracture healing in rats after 3 and 8 weeks of healing. Two groups of rats were treated with SrR (900 mg/kg/day) mixed into the food, while two groups served as control animals. The healing fractures were investigated by three-point bending, dual energy X-ray absorptiometry, energy-dispersive X...... in callus bone mineral content (P\\0.05). However, after 8 weeks of healing, no difference was found in either callus volume or bone mineral content. SrR did not influence maximum load or stiffness of the fractures after either 3 or 8 weeks of healing. EDX showed that Sr was incorporated into the callus...

  8. Fracture and ductile vs. brittle behavior -- Theory, modeling and experiment

    Energy Technology Data Exchange (ETDEWEB)

    Beltz, G.E. [ed.] [Univ. of California, Santa Barbara, CA (United States); Selinger, R.L.B. [ed.] [Catholic Univ., Washington, DC (United States); Kim, K.S. [ed.] [Brown Univ., Providence, RI (United States); Marder, M.P. [ed.] [Univ. of Texas, Austin, TX (United States)


    The symposium brought together the many communities that investigate the fundamentals of fracture, with special emphasis on the ductile/brittle transition across a broad spectrum of material classes, fracture at interfaces, and modelling fracture over various length scales. Theoretical techniques discussed ranged from first-principles electronic structure theory to atomistic simulation to mesoscale and continuum theories, along with studies of fractals and scaling in fracture. Experimental and theoretical talks were interspersed throughout all sessions, rather than being segregated. The contributions to this volume generally follow the topical outline upon which the symposium was organized. The first part, dealing with ductile vs. brittle behavior in metals, concerns itself with investigations of high-strength steel, magnesium alloys, ordered intermetallics, and Fe-Cr-Al alloys. The development of analytical methods based on micromechanical models, such as dislocation mechanics and cohesive/contact zone models, are covered in a follow-up section. Nonmetals, including silicon, are considered in Parts 3 and 4. Fractals, chaos, and scaling theories are taken up in Part 5, with a special emphasis on fracture in heterogeneous solids. Modelling based on large populations of dislocations has substantially progressed during the past three years; hence, a section devoted to crystal plasticity and mesoscale dislocation modelling appears next. Finally, the technologically significant area of interfacial fracture, with applications to composites and intergranular fracture, is taken up in Part 7. Separate abstracts were prepared for most of the papers in this book.

  9. Fracture mechanics analysis of damaged turbine rotor discs using finite element method

    Directory of Open Access Journals (Sweden)

    Vasović Ivana V.


    Full Text Available This paper presents evaluation fracture mechanics parameters in low pressure turbine components. Critical locations such as keyway and dovetail area are experiencing stress concentration leading to crack initiation. Stress intensity factors were evaluated using the J-Integral approach available within ANSYS software code. The finite element method allowed the prediction of the point of crack initiation and the crack propagation using the orientations of the maximum principal stresses. Special attention in this investigation is focused to develop analytic expressions for stress intensity factors at critical location of low pres-sure steam turbine disc. [Projekat Ministarstva nauke Republike Srbije, br. I-174001 i br. TR-35045

  10. 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...

  11. Materials characterization and fracture mechanics of a space grade dielectric silicone insulation (United States)

    Abdel-Latif, A. I.; Tweedie, A. T.


    The present investigation is concerned with the DC 93-500 high voltage silicone insulation material employed to pot the gun and the collector end of a traveling wave tube (TWT) used on the Landsat D Satellite. The fracture mechanics behavior of the silicone resin was evaluated by measuring the slow crack velocity as a function of the opening mode of the stress intensity factor at +25 and -10 C, taking into account various uniaxial discrete strain values. It was found that the silicone resins slow crack growth is faster than that for a high voltage insulation polyurethane material at the same stress intensity factor value and room temperature.

  12. Modeling and additive manufacturing of bio-inspired composites with tunable fracture mechanical properties. (United States)

    Dimas, Leon S; Buehler, Markus J


    Flaws, imperfections and cracks are ubiquitous in material systems and are commonly the catalysts of catastrophic material failure. As stresses and strains tend to concentrate around cracks and imperfections, structures tend to fail far before large regions of material have ever been subjected to significant loading. Therefore, a major challenge in material design is to engineer systems that perform on par with pristine structures despite the presence of imperfections. In this work we integrate knowledge of biological systems with computational modeling and state of the art additive manufacturing to synthesize advanced composites with tunable fracture mechanical properties. Supported by extensive mesoscale computer simulations, we demonstrate the design and manufacturing of composites that exhibit deformation mechanisms characteristic of pristine systems, featuring flaw-tolerant properties. We analyze the results by directly comparing strain fields for the synthesized composites, obtained through digital image correlation (DIC), and the computationally tested composites. Moreover, we plot Ashby diagrams for the range of simulated and experimental composites. Our findings show good agreement between simulation and experiment, confirming that the proposed mechanisms have a significant potential for vastly improving the fracture response of composite materials. We elucidate the role of stiffness ratio variations of composite constituents as an important feature in determining the composite properties. Moreover, our work validates the predictive ability of our models, presenting them as useful tools for guiding further material design. This work enables the tailored design and manufacturing of composites assembled from inferior building blocks, that obtain optimal combinations of stiffness and toughness.

  13. Refinement and fracture mechanisms of as-cast QT700-6 alloy by alloying method

    Directory of Open Access Journals (Sweden)

    Min-qiang Gao


    Full Text Available The as-cast QT700-6 alloy was synthesized with addition of a certain amount of copper, nickel, niobium and stannum elements by alloying method in a medium frequency induction furnace, aiming at improving its strength and toughness. Microstructures of the as-cast QT700-6 alloy were observed using a scanning-electron microscope (SEM and the mechanical properties were investigated using a universal tensile test machine. Results indicate that the ratio of pearlite/ferrite is about 9:1 and the graphite size is less than 40 μm in diameter in the as-cast QT700-6 alloy. The predominant refinement mechanism is attributed to the formation of niobium carbides, which increases the heterogeneous nucleus and hinders the growth of graphite. Meanwhile, niobium carbides also exist around the grain boundaries, which improve the strength of the ductile iron. The tensile strength and elongation of the as-cast QT700-6 alloy reach over 700 MPa and 6%, respectively, when the addition amount of niobium is 0.8%. The addition of copper and nickel elements contributed to the decrease of eutectoid transformation temperature, resulting in the decrease of pearlite lamellar spacing (about 248 nm, which is also beneficial to enhancing the tensile strength. The main fracture mechanism is cleavage fracture with the appearance of a small amount of dimples.

  14. Mechanical Behavior and Fracture Toughness Evaluation of Multiphase Polymer Nanocomposites Using Impact and J-Integral via Locus Method

    Directory of Open Access Journals (Sweden)

    Bishnu P. Panda


    Full Text Available Fracture behaviors of fibrillar silicate clay (MMT filled thermoplastic polyolefin (TPO containing polypropylene (PP blended with ethylene-propylene-diene monomer (EPDM were systematically investigated using impact test method and J-integral by locus method. Drastic increase in impact strength is observed for all developed compositions and generally shows higher value for the selected phases containing dispersed nanoclay in PP matrix. A fracture mechanics approach has been adopted by mode I test, and the effects of specimen geometry have been investigated. Increase in interlaminar fracture energy value, Gc, and J-integral value, Jc, is marked as the crack propagated through the composite; that is, a rising “R-curve” is observed. Toughness measurements revealed that the fracture toughness increased with increasing clay content reaching maximum at 3 wt% of clay than pure PP. Moreover, enhancement of fracture toughness was more remarkable than that of stiffness. The fracture surfaces taken from different specimens were observed for exploring the fracture mechanisms using transmission electron microscopy (TEM revealed a strong particle-matrix adhesion.

  15. Alteration of Fractured Rocks Due to Coupled Chemical and Mechanical Processes: High-Resolution Simulations and Experimental Observations (United States)

    Ameli, Pasha

    Engineering activities such as enhanced geothermal energy production and improved oil recovery techniques are heavily dependent on the permeability of the subsurface, while others such as CO2 sequestration and nuclear waste disposal rely on the efficiency of rock formations as transport barriers. In either case fractures provide the main pathways for fluid flow and transport, especially in rocks with lower matrix porosity. Laboratory experiments aimed at quantifying the chemo-mechanical responses of fractures have shown a range of results, some of which contradict simple conceptual models. For example, under conditions favoring mineral dissolution, where one would expect an overall increase in permeability, experiments show that permeability increases under some conditions and decreases under others. Recent experiments have attempted to link these core-scale observations to the relevant small-scale processes occurring within fractures. Results suggest that the loss of mechanical strength in asperities due to chemical alteration may cause non-uniform deformation and alteration of fracture apertures. However, due to the lack of direct micro-scale measurements of the coupled chemical and mechanical processes that lead to alteration of contacting fracture surfaces, our ability to predict the long-term evolution of fractures is still limited. To explore the processes that control permeability evolution, I developed a computational model that uses micro-scale surface roughness and explicitly couples dissolution and elastic deformation to calculate local alterations in fracture aperture under chemical and mechanical stresses. A depth-averaged algorithm of fracture flow is used to model reactive transport and chemical alteration of the fracture surfaces. Then, I deform the resulting altered fracture-surfaces using an algorithm that calculates the elastic deformation. The results of the model are compared with flow-through experiments conducted on fractured limestone. The

  16. Atomistic study of crack propagation and dislocation emission in Cu-Ni multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Clinedinst, J.; Farkas, D. [Virginia Polytechnic Inst. and State Univ., Blacksburg, VA (United States). Dept. of Materials Science and Engineering


    The authors present atomistic simulations of the crack tip configuration in multilayered Cu-Ni materials. The simulations were carried out using molecular statics and EAM potentials. The atomistic structure of the interface was studied first for a totally coherent structure. Cracks were simulated near a Griffith condition in different possible configurations of the crack plane and front with respect to the axis of the layers. Results show that interface effects predominantly control the mechanical behavior of the system studied.

  17. Material fields in atomistics as pull-backs of spatial distributions (United States)

    Chandra Admal, Nikhil; Tadmor, Ellad B.


    The various fields defined in continuum mechanics have both a material and a spatial description that are related through the deformation mapping. In contrast, continuum fields defined for atomistic systems using the Irving-Kirkwood or Murdoch-Hardy procedures correspond to a spatial description. It is uncommon to define atomistic fields in the reference configuration due to the lack of a unique definition for the deformation mapping in atomistic systems. In this paper, we construct referential atomistic distributions as pull-backs of the spatial distributions obtained in the Murdoch-Hardy procedure with respect to a postulated deformation mapping that tracks particles. We then show that some of these referential distributions are independent of the choice of the deformation mapping and only depend on the reference and current configuration of particles. Therefore, the fields obtained from these distributions can be calculated without explicitly constructing a deformation map, and by construction they satisfy the balance equations. In particular, we obtain definitions for the first and second atomistic Piola-Kirchhoff stress tensors. We demonstrate the validity of these definitions through a numerical example involving finite deformation of a slab containing a notch under tension. An interesting feature of the atomistic first Piola-Kirchhoff stress tensor is the absence of a kinetic part, which in the atomistic Cauchy stress tensor accounts for thermal fluctuations. We show that this effect is implicitly included in the atomistic first Piola-Kirchhoff stress tensor through the motion of the particles. An open source program to compute the atomistic Cauchy and first Piola-Kirchhoff stress fields called MDStressLab is available online at

  18. Improved Mechanical Performance Fracture Properties and Reliability of Radical-Cured Thermosets.

    Energy Technology Data Exchange (ETDEWEB)

    Redline, Erica Marie; Bolintineanu, Dan; Lane, J. Matthew; Stevens, Mark J.; Alam, Todd M.; Celina, Mathias C.


    The aim of this study was to alter polymerization chemistry to improve network homogeneity in free-radical crosslinked systems. It was hypothesized that a reduction in heterogeneity of the network would lead to improved mechanical performance. Experiments and simulations were carried out to investigate the connection between polymerization chemistry, network structure and mechanical properties. Experiments were conducted on two different monomer systems - the first is a single monomer system, urethane dimethacrylate (UDMA), and the second is a two-monomer system consisting of bisphenol A glycidyl dimethacrylate (BisGMA) and triethylene glycol dimethacrylate (TEGDMA) in a ratio of 70/30 BisGMA/TEGDMA by weight. The methacrylate systems were crosslinked using traditional radical polymeriza- tion (TRP) with azobisisobutyronitrile (AIBN) or benzoyl peroxide (BPO) as an initiator; TRP systems were used as the control. The monomers were also cross-linked using activator regenerated by electron transfer atom transfer radical polymerization (ARGET ATRP) as a type of controlled radical polymerization (CRP). FTIR and DSC were used to monitor reac- tion kinetics of the systems. The networks were analyzed using NMR, DSC, X-ray diffraction (XRD), atomic force microscopy (AFM), and small angle X-ray scattering (SAXS). These techniques were employed in an attempt to quantify differences between the traditional and controlled radical polymerizations. While a quantitative methodology for characterizing net- work morphology was not established, SAXS and AFM have shown some promising initial results. Additionally, differences in mechanical behavior were observed between traditional and controlled radical polymerized thermosets in the BisGMA/TEGDMA system but not in the UDMA materials; this finding may be the result of network ductility variations between the two materials. Coarse-grained molecular dynamics simulations employing a novel model of the CRP reaction were carried out for

  19. Mechanisms of defect complex formation and environmental-assisted fracture behavior of iron aluminides

    Energy Technology Data Exchange (ETDEWEB)

    Cooper, B.R.; Muratov, L.S.; Kang, B.S.J.; Li, K.Z. [West Virginia Univ., Morgantown, WV (United States)


    Iron aluminide has excellent corrosion resistance in high-temperature oxidizing-sulfidizing environments; however, there are problems at room and medium temperature with hydrogen embrittlement as related to exposure to moisture. In this research, a coordinated computational modeling/experimental study of mechanisms related to environmental-assisted fracture behavior of selected iron aluminides is being undertaken. The modeling and the experimental work will connect at the level of coordinated understanding of the mechanisms for hydrogen penetration and for loss of strength and susceptibility to fracture. The focus of the modeling component at this point is on the challenging question of accurately predicting the iron vacancy formation energy in Fe{sub 3}A{ell} and the subsequent tendency, if present, for vacancy clustering. The authors have successfully performed, on an ab initio basis, the first calculation of the vacancy formation energy in Fe{sub 3}A{ell}. These calculations include lattice relaxation effects which are quite large. This has significant implications for vacancy clustering effects with consequences to be explored for hydrogen diffusion. The experimental work at this stage has focused on the relationship of the choice and concentration of additives to the improvement of resistance to hydrogen embrittlement and hence to the fracture behavior. For this reason, comparative crack growth tests of FA-186, FA-187, and FA-189 iron aluminides (all with basic composition of Fe-28A{ell}-5Cr, at % with micro-alloying additives of Zr, C or B) under, air, oxygen, or water environment have been performed. These tests showed that the alloys are susceptible to room temperature hydrogen embrittlement in both B2 and DO{sub 3} conditions. Test results indicated that FA-187, and FA-189 are intrinsically more brittle than FA-186.

  20. 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: [Biomaterials and Biomimetics, New York University College of Dentistry (United States)


    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.

  1. The atomistic mechanism of hcp-to-bcc martensitic transformation in the Ti-Nb system revealed by molecular dynamics simulations. (United States)

    Li, Yang; Li, JiaHao; Liu, BaiXin


    Applying the constructed Ti-Nb potentials, molecular dynamics simulations were conducted to investigate the martensitic transformation of Ti100-xNbx alloys (x = 5, 10…25) from the α' phase (hcp) to the β phase (bcc). It is found that the transformation involved four phases, i.e. α', α'', fco (face-centered orthorhombic), and β phases. The structures of the obtained phases exhibit consistency with experimental data, verifying the validity of atomic simulations. The simulations not only revealed the processes of atomic displacements during the transformation, but also elucidated the underlying mechanism of the martensitic transformation at the atomic level. The martensitic transformation incorporates three types of coinstantaneous deformations i.e. slide, shear as well as extension, and the subsequent lattice constant relaxation. Furthermore, according to the proposed mechanism, the crystallographic correlation between the initial α' phase and the final β phase has been deduced. The simulation results provide a clear landscape on the martensitic transformation mechanism, facilitating our comprehensive understanding on the phase transition in the Ti-Nb system.

  2. Standard guide for evaluating data acquisition systems used in cyclic fatigue and fracture mechanics testing

    CERN Document Server

    American Society for Testing and Materials. Philadelphia


    1.1 This guide covers how to understand and minimize the errors associated with data acquisition in fatigue and fracture mechanics testing equipment. This guide is not intended to be used instead of certified traceable calibration or verification of data acquisition systems when such certification is required. It does not cover static load verification, for which the user is referred to the current revision of Practices E 4, or static extensometer verification, for which the user is referred to the current revision of Practice E 83. The user is also referred to Practice E 467. 1.2 The output of the fatigue and fracture mechanics data acquisition systems described in this guide is essentially a stream of digital data. Such digital data may be considered to be divided into two types- Basic Data, which are a sequence of digital samples of an equivalent analog waveform representing the output of transducers connected to the specimen under test, and Derived Data, which are digital values obtained from the Basic D...

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

    Energy Technology Data Exchange (ETDEWEB)

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


    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. A mechanism for the production of ultrafine particles from concrete fracture. (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


    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.

  5. Fracture mechanics models developed for piping reliability assessment in light water reactors: piping reliability project

    Energy Technology Data Exchange (ETDEWEB)

    Harris, D.O.; Lim, E.Y.; Dedhia, D.D.; Woo, H.H.; Chou, C.K.


    The efforts concentrated on modifications of the stratified Monte Carlo code called PRAISE (Piping Reliability Analysis Including Seismic Events) to make it more widely applicable to probabilistic fracture mechanics analysis of nuclear reactor piping. Pipe failures are considered to occur as the result of crack-like defects introduced during fabrication, that escape detection during inspections. The code modifications allow the following factors in addition to those considered in earlier work to be treated: other materials, failure criteria and subcritical crack growth characteristic; welding residual and vibratory stresses; and longitudinal welds (the original version considered only circumferential welds). The fracture mechanics background for the code modifications is included, and details of the modifications themselves provided. Additionally, an updated version of the PRAISE user's manual is included. The revised code, known as PRAISE-B was then applied to a variety of piping problems, including various size lines subject to stress corrosion cracking and vibratory stresses. Analyses including residual stresses and longitudinal welds were also performed.

  6. Mechanisms of fracture of the free surface of shock-compressed metals

    Energy Technology Data Exchange (ETDEWEB)

    Mokhova, V. V., E-mail:; Mikhailov, A. L.; Til’kunov, A. V. [Russian Federal Nuclear Center–All-Russia Research Institute of Experimental Physics (Russian Federation); Orlov, N. I. [National Nuclear Research University MEPhI, Sarov State Physicotechnical Institute (Russian Federation); Kanunova, L. I.; Bragunets, V. A.; Tkachenko, M. I.; Simakov, V. G.; Sokolov, S. S.; Podurets, A. M. [Russian Federal Nuclear Center–All-Russia Research Institute of Experimental Physics (Russian Federation)


    The mechanisms of the ejection of aluminum and copper microparticles from the free surfaces of these metals have been studied under conditions of the escape of a moderate-intensity shock wave from a sample. The free surfaces of samples contained 0.7–0.9 mm deep artificial wells and protrusions simulating (on a greater scale of 10: 1) the natural surface roughness retained upon mechanical processing. The pressure in a shock-wave pulse at the base of a protrusion was controlled within P = 5–20 GPa (i.e., below the melting region), and the variable duration of pressure pulses was 0.02, 0.2, and 1 μs. Analysis of the free surfaces of postloaded samples showed that, for certain loading and roughness parameters, the ejection of metal from vertices of protruding ridges or pyramids (as a result of the longitudinal fracture) was about ten times greater than the amount of metal ejected in the form of cumulative jets from wells. The amount of ejected metal and the size distribution of metal microparticles were quantitatively characterized using “soft collecting targets” and by measuring mass losses of samples upon fracture.

  7. Structure, thermal and fracture mechanical properties of benzoxazine-modified amine-cured DGEBA epoxy resins

    Directory of Open Access Journals (Sweden)


    Full Text Available First, traditional diamine hardeners of epoxy resins (EP were checked as potential accelerators for the benzoxazine (BOX homopolymerization. It was established that the acceleration effect depends on both the type and amount of the diamine compounds. In the follow-up work amine-curable diglycidyl ether bisphenol A (DGEBA type EP was modified with BOX keeping the EP/BOX ratio constant (75/25 wt.%. The amine hardeners, added in the EP in stoichiometric amounts, were of aliphatic and aromatic nature, viz. diethylenetriamine (DETA, 4,4'-diaminodiphenyl methane (DDM, and their 1/1 mixture. The thermal, viscoelastic, flexural and fracture mechanical properties of the EP/BOX hybrids were determined and compared to those of the reference EPs. Based on dynamic-mechanical thermal analysis and atomic force microscopy the formation of co-network between EP and BOX was concluded. Homopolymerized BOX was built in the network in nanoscaled inclusions and it was associated with internal antiplasticization. Incorporation of BOX improved the charring, enhanced the flexural modulus and strength, and reduced the glass transition of the parent EP. The fracture toughness and energy were not improved by hybridization with BOX.

  8. Finite element analysis of surface cracks in the Wilkins Ice Shelf using fracture mechanics (United States)

    Plate, Carolin; Müller, Ralf; Gross, Dietmar; Humbert, Angelika; Braun, Matthias


    Ice shelves, located between the warming atmosphere and the ocean, are sensitive elements of the climate system. The Wilkins Ice Shelf is situated in the south-western part of the Antarctic Peninsula, a well known hot spot of global warming. Recent break-up events exemplified the potential of disintegration of the ice shelf. A multi interdisciplinary project consisting of remote sensing, modeling of the ice dynamics and fracture mechanics intends to improve the understanding of the impacts of temperature increase on ice shelf stability. As a part of this project the aim of this presentation is to demonstrate the fracture mechanical approach using finite elements and configurational forces. For fracture mechanical purposes the material behavior of ice is treated as a brittle solid, and linear fracture mechanics is used. Crucial to all methods in linear fracture mechanics is the evaluation of the stress intensity factor K which is a measure for the load concentration at the crack tip and which depends on the geometry of the body and on the applied loading. The computed value of K can be compared to the critical stress intensity factor Kc, a material property obtained from experimental examinations, to judge whether a crack will propagate. One very effective procedure to obtain the stress intensity factor takes advantage of configurational forces, which can be easily obtained in the finite element analysis. An initial investigation is based on a 2-dimensional analysis of a single crack with a mode-I load type using a static plane strain model in the finite element analysis software COMSOL and additional routines to compute and evaluate the configurational forces. Analytical solutions of simple geometry and load cases are called on in comparison. The application to the Wilkins Ice Shelf follows by using material parameters, geometries and loading situations, which are obtained from literature values, remote sensing data analysis and modeling of the ice dynamics

  9. Hydrologic Mechanisms Governing Fluid Flow in a Partially Saturated, Fractured, Porous Medium (United States)

    Wang, J. S. Y.; Narasimhan, T. N.


    In contrast to the saturated zone within which fluid moves rapidly along fractures, the fractures (with apertures large relative to the size of matrix pores) will desaturate first during the drainage process, and the bulk of fluid flow would be through interconnected pores in the matrix. Within a partially drained fracture, the presence of a relatively continuous air phase will produce practically an infinite resistance to liquid flow in the direction parallel to the fracture. The residual liquid will be held by capillary force, in regions around fracture contact areas where the apertures are small. Normal to the fracture surfaces, the drained portion of the fractures will reduce the effective area for liquid flow from one matrix block to another matrix block. A general statistical theory is constructed for flow along the fracture and for flow between the matrix blocks to the fractures under partially saturated conditions. Results are obtained from an aperture distribution model for fracture saturation, hydraulic conductivity, and effective matrix-fracture flow areas as functions of pressure. The effects of distortion of flow paths by the air pockets are taken into account by a phase-separation constriction factor in a generalized cubic law for fracture flow under a partially saturated condition. The reduction of matrix-fracture flow area is taken into account by summing the aperture distribution function to a saturation cutoff aperture, which is inversely proportional to the suction head. Drainage from a column of fractured tuff is simulated using available parameters for the densely welded tuff of the Topopah Spring Member at Yucca Mountain, southern Nevada. The column is bounded by discrete vertical fractures and dissected by horizontal fractures with the fracture spacings determined by the frequencies and orientations of fractured cores. The fraction of fracture surfaces with coatings is assumed to correspond to the fraction of in situ fracture contact area

  10. A predictive mechanical model for evaluating vertebral fracture probability in lumbar spine under different osteoporotic drug therapies. (United States)

    López, E; Ibarz, E; Herrera, A; Puértolas, S; Gabarre, S; Más, Y; Mateo, J; Gil-Albarova, J; Gracia, L


    Osteoporotic vertebral fractures represent a major cause of disability, loss of quality of life and even mortality among the elderly population. Decisions on drug therapy are based on the assessment of risk factors for fracture from bone mineral density (BMD) measurements. A previously developed model, based on the Damage and Fracture Mechanics, was applied for the evaluation of the mechanical magnitudes involved in the fracture process from clinical BMD measurements. BMD evolution in untreated patients and in patients with seven different treatments was analyzed from clinical studies in order to compare the variation in the risk of fracture. The predictive model was applied in a finite element simulation of the whole lumbar spine, obtaining detailed maps of damage and fracture probability, identifying high-risk local zones at vertebral body. For every vertebra, strontium ranelate exhibits the highest decrease, whereas minimum decrease is achieved with oral ibandronate. All the treatments manifest similar trends for every vertebra. Conversely, for the natural BMD evolution, as bone stiffness decreases, the mechanical damage and fracture probability show a significant increase (as it occurs in the natural history of BMD). Vertebral walls and external areas of vertebral end plates are the zones at greatest risk, in coincidence with the typical locations of osteoporotic fractures, characterized by a vertebral crushing due to the collapse of vertebral walls. This methodology could be applied for an individual patient, in order to obtain the trends corresponding to different treatments, in identifying at-risk individuals in early stages of osteoporosis and might be helpful for treatment decisions.

  11. Fracture-Based Mesh Size Requirements for Matrix Cracks in Continuum Damage Mechanics Models (United States)

    Leone, Frank A.; Davila, Carlos G.; Mabson, Gerald E.; Ramnath, Madhavadas; Hyder, Imran


    This paper evaluates the ability of progressive damage analysis (PDA) finite element (FE) models to predict transverse matrix cracks in unidirectional composites. The results of the analyses are compared to closed-form linear elastic fracture mechanics (LEFM) solutions. Matrix cracks in fiber-reinforced composite materials subjected to mode I and mode II loading are studied using continuum damage mechanics and zero-thickness cohesive zone modeling approaches. The FE models used in this study are built parametrically so as to investigate several model input variables and the limits associated with matching the upper-bound LEFM solutions. Specifically, the sensitivity of the PDA FE model results to changes in strength and element size are investigated.

  12. Atomistic Origin of Brittle Failure of Boron Carbide from Large-Scale Reactive Dynamics Simulations: Suggestions toward Improved Ductility (United States)

    An, Qi; Goddard, William A.


    Ceramics are strong, but their low fracture toughness prevents extended engineering applications. In particular, boron carbide (B4C ), the third hardest material in nature, has not been incorporated into many commercial applications because it exhibits anomalous failure when subjected to hypervelocity impact. To determine the atomistic origin of this brittle failure, we performed large-scale (˜200 000 atoms /cell ) reactive-molecular-dynamics simulations of shear deformations of B4C , using the quantum-mechanics-derived reactive force field simulation. We examined the (0001 )/⟨10 1 ¯ 0 ⟩ slip system related to deformation twinning and the (01 1 ¯ 1 ¯ )/⟨1 ¯ 101 ⟩ slip system related to amorphous band formation. We find that brittle failure in B4C arises from formation of higher density amorphous bands due to fracture of the icosahedra, a unique feature of these boron based materials. This leads to negative pressure and cavitation resulting in crack opening. Thus, to design ductile materials based on B4C we propose alloying aimed at promoting shear relaxation through intericosahedral slip that avoids icosahedral fracture.

  13. Atomistic Origin of Brittle Failure of Boron Carbide from Large-Scale Reactive Dynamics Simulations: Suggestions toward Improved Ductility. (United States)

    An, Qi; Goddard, William A


    Ceramics are strong, but their low fracture toughness prevents extended engineering applications. In particular, boron carbide (B(4)C), the third hardest material in nature, has not been incorporated into many commercial applications because it exhibits anomalous failure when subjected to hypervelocity impact. To determine the atomistic origin of this brittle failure, we performed large-scale (∼200,000  atoms/cell) reactive-molecular-dynamics simulations of shear deformations of B(4)C, using the quantum-mechanics-derived reactive force field simulation. We examined the (0001)/⟨101̅0⟩ slip system related to deformation twinning and the (011̅1̅)/⟨1̅101⟩ slip system related to amorphous band formation. We find that brittle failure in B(4)C arises from formation of higher density amorphous bands due to fracture of the icosahedra, a unique feature of these boron based materials. This leads to negative pressure and cavitation resulting in crack opening. Thus, to design ductile materials based on B(4)C we propose alloying aimed at promoting shear relaxation through intericosahedral slip that avoids icosahedral fracture.

  14. Continuum Damage Mechanics A Continuum Mechanics Approach to the Analysis of Damage and Fracture

    CERN Document Server

    Murakami, Sumio


    Recent developments in engineering and technology have brought about serious and enlarged demands for reliability, safety and economy in wide range of fields such as aeronautics, nuclear engineering, civil and structural engineering, automotive and production industry.  This, in turn, has caused more interest in continuum damage mechanics and its engineering applications.   This book aims to give a concise overview of the current state of damage mechanics, and then to show the fascinating possibility of this promising branch of mechanics, and to provide researchers, engineers and graduate students with an intelligible and self-contained textbook.   The book consists of two parts and an appendix.  Part I  is concerned with the foundation of continuum damage mechanics.  Basic concepts of material damage and the mechanical representation of damage state of various kinds are described in Chapters 1 and 2.  In Chapters 3-5, irreversible thermodynamics, thermodynamic constitutive theory and its application ...

  15. A multiphase mesostructure mechanics approach to the study of the fracture-damage behavior of concrete

    Institute of Scientific and Technical Information of China (English)


    A multiphase mesostructure mechanical model is proposed to study the deformation and failure process of concrete considering its heterogeneity at the meso scopic level.Herein,concrete is taken as a type of three-component composite material composed of mortar matrix,aggregates and interfaces on the meso-scale.First,an efficient approach to the disposition of aggregates of concrete and a state matrix method to generate mesh coordinates for aggregates are proposed.Secondly,based on the nonlinear continuum damage mechanics,a meso-scale finite element model is presented with damage softening stress-strain relationship for describing the mechanical behavior of different components of concrete.In this method,heterogeneities of each component in the concrete are considered by assuming the material properties of three components conform to the Weibull distribution law.Finally,based on this multiphase meso-mechanics model,a simulation analysis of fracture behavior of a rock-fill concrete(RFC) beam is accomplished.The study includes experimental tests for determining basic mechanical parameters of three components of RFC and four-point flexural beam tests for verification of the model.It is preliminarily shown that the numerical model is applicable to studying failure mechanisms and process of concrete type material.

  16. A coupled thermo-poro-mechanical finite element analysis of fractured porous rocks using a cohesive interface element (United States)

    Wang, W.; Regueiro, R. A.


    The coupling between multiphase flow, heat transfer, and poromechanics in fractured geomaterials has aroused great interest in the areas of geomechanics, geoenvironmental engineering, and petroleum engineering. Relevant applications include nuclear waste repositories, geological sequestration of CO2, geothermal systems, and exploitation of shale gas reservoirs. The paper presents a fully coupled thermo-poro-mechanical (TPM) cohesive interface element (CIE) model, which can represent fluid and heat flow along and across the fracture, and shear/normal deformation of the fracture surfaces. The proposed model is then applied to analyze two popular geological engineering problems using the finite element method (FEM) with a small strain formulation. The first application is the fracturing process in organic-rich shale due to heating. In the finite element analysis, multiple horizontal microcracks parallel to the bedding plane are assumed to preexist in the porous source rock, and are represented by coupled TPM cohesive interface elements. The porous bulk rock is assumed to be homogeneous, isotropic (for the time being, with transverse isotropy a natural extension), and linearly elastic. The excess pore fluid pressure, which mainly causes the development of the fractures, is actually induced by the rapid decomposition of organic matter during heating according to the literature. However, the involved complex chemical reaction process is beyond the scope of the paper, and is therefore substituted by a fluid injection process within the cracks under room temperature (25C) and high temperature (400C) in the paper. We investigate the fracture propagation due to pore fluid pressure increase and the development of fracture-induced permeability. The second application is a nuclear waste repository in a partially saturated fractured rock. Multiphase transport of moisture and heat, thermally-induced stress, as well as the change of fracture apertures are investigated due to short

  17. How vein sealing boosts fracture widening rates - The buckling-enhanced aperture growth mechanism for syn-tectonic veins (United States)

    Nüchter, Jens-Alexander


    The paper introduces the mechanism of buckling-enhanced aperture growth for syn-tectonic veins that formed in simple-shear dominated kinematic frameworks in the middle or lower crust. Apart from the well understood concepts of fracture widening driven by effective tensile stresses, buckling-enhanced fracture aperture growth relates widening to active outward buckling of more viscous incipient cement layers precipitated as hydrothermal minerals for the pore fluid on the walls of juvenile syn-tectonic veins, driven by fracture-parallel compressive creep strain in the host rocks. Thus, the mechanism proposed here follows similar principles as tectonic folding, although important differences exist. Inspired by the structural record of low-aspect ratio veins exposed in HP/LT metamorphic rocks cropping out on south Evia island, Greece, generic numerical models are calculated to study development of buckling instabilities in such incompletely cemented veins and their impact on aperture growth rates. The models indicate (1) that aperture growth rates increase with increasing viscosity contrast between the host rocks and the cement layers, (2) an increase in the thickness of the cement layers cause acceleration of aperture growth, (3) that support of restraining forces at the vein tips offered by the host rocks against buckling of the cement layers cause fully compressive states of stress ahead the fracture tips, and (4) that fracture aperture growth is possible against fully compressive fracture-normal stresses. The buckling-enhanced vein aperture growth mechanism yields important implications for the maintenance and decay of fracture-bound permeability and for the mechanical state of the middle and lower crust in seismically active regions.

  18. Length-scale and strain rate-dependent mechanism of defect formation and fracture in carbon nanotubes under tensile loading (United States)

    Javvaji, Brahmanandam; Raha, S.; Mahapatra, D. Roy


    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.

  19. The notion of a plastic material spin in atomistic simulations (United States)

    Dickel, D.; Tenev, T. G.; Gullett, P.; Horstemeyer, M. F.


    A kinematic algorithm is proposed to extend existing constructions of strain tensors from atomistic data to decouple elastic and plastic contributions to the strain. Elastic and plastic deformation and ultimately the plastic spin, useful quantities in continuum mechanics and finite element simulations, are computed from the full, discrete deformation gradient and an algorithm for the local elastic deformation gradient. This elastic deformation gradient algorithm identifies a crystal type using bond angle analysis (Ackland and Jones 2006 Phys. Rev. B 73 054104) and further exploits the relationship between bond angles to determine the local deformation from an ideal crystal lattice. Full definitions of plastic deformation follow directly using a multiplicative decomposition of the deformation gradient. The results of molecular dynamics simulations of copper in simple shear and torsion are presented to demonstrate the ability of these new discrete measures to describe plastic material spin in atomistic simulation and to compare them with continuum theory.

  20. Fracture mechanics in new designed power module under thermo-mechanical loads

    Directory of Open Access Journals (Sweden)

    Durand Camille


    Full Text Available Thermo-mechanically induced failure is a major reliability issue in the microelectronic industry. On this account, a new type of Assembly Interconnected Technology used to connect MOSFETs in power modules has been developed. The reliability is increased by using a copper clip soldered on the top side of the chip, avoiding the use of aluminium wire bonds, often responsible for the failure of the device. Thus the new designed MOSFET package does not follow the same failure mechanisms as standard modules. Thermal and power cycling tests were performed on these new packages and resulting failures were analyzed. Thermo-mechanical simulations including cracks in the aluminium metallization and intermetallics (IMC were performed using Finite Element Analysis in order to better understand crack propagation and module behaviour.

  1. Mechanical and electronic properties of Ag{sub 3}Sn intermetallic compound in lead free solders using ab initio atomistic calculation

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Santosh, E-mail: [Department of Materials Science and Engineering, University of Seoul, 90 JunNong-dong, DongDaeMun-gu, Seoul-130743 (Korea, Republic of); Jung, JaePil, E-mail: [Department of Materials Science and Engineering, University of Seoul, 90 JunNong-dong, DongDaeMun-gu, Seoul-130743 (Korea, Republic of)


    Highlights: Black-Right-Pointing-Pointer Structural, mechanical and electronic properties of Ag{sub 3}Sn determined. Black-Right-Pointing-Pointer Elastic anisotropy of Ag{sub 3}Sn is discussed comprehensively. Black-Right-Pointing-Pointer Scatter in the experimentally obtained elastic modulus values is explained. Black-Right-Pointing-Pointer Electronic properties discussed using overlap population, band structure and DOS. Black-Right-Pointing-Pointer Debye temperature of Ag{sub 3}Sn is estimated to be 251 K. - Abstract: First principle calculations based on density functional theory (DFT) are used to calculate the structural, elastic and electronic properties of tin-silver intermetallic compound (Ag{sub 3}Sn), found mainly in lead free solder joints. In present work, for the exchange-correlation energy, generalized gradient approximation (GGA) functional is used. The calculated lattice constants are found to be within 2% error of the experimental values. All single crystal elastic constants are computed from which values of shear modulus, bulk modulus, Young's modulus and Poisson's ratio for polycrystalline Ag{sub 3}Sn are calculated using Voigt and Hill approximations. To explain the scatter in the experimentally determined values of elastic constants, directional dependence of bulk modulus and Young's modulus are estimated. The values of Young's modulus calculated along different planes are found to be in same range as experimentally determined values. Various anisotropic indices like universal anisotropic index, Zener anisotropic index, shear anisotropic index and others are calculated to study elastic anisotropy. Further anisotropy in Poisson's ratio is studied by calculating their values along six lower-index planes. The value of Debye temperature calculated using elastic data of present work is found be to higher than the values obtained using resistivity measurement, which can be attributed to temperature dependence. Electronic

  2. NiTi superelasticity via atomistic simulations (United States)

    Chowdhury, Piyas; Ren, Guowu; Sehitoglu, Huseyin


    The NiTi shape memory alloys (SMAs) are promising candidates for the next-generation multifunctional materials. These materials are superelastic i.e. they can fully recover their original shape even after fairly large inelastic deformations once the mechanical forces are removed. The superelasticity reportedly stems from atomic scale crystal transformations. However, very few computer simulations have emerged, elucidating the transformation mechanisms at the discrete lattice level, which underlie the extraordinary strain recoverability. Here, we conduct breakthrough molecular dynamics modelling on the superelastic behaviour of the NiTi single crystals, and unravel the atomistic genesis thereof. The deformation recovery is clearly traced to the reversible transformation between austenite and martensite crystals through simulations. We examine the mechanistic origin of the tension-compression asymmetries and the effects of pressure/temperature/strain rate variation isolatedly. Hence, this work essentially brings a new dimension to probing the NiTi performance based on the mesoscale physics under more complicated thermo-mechanical loading scenarios.

  3. Complementary hydro-mechanical coupled finite/discrete element and microseismic modelling to predict hydraulic fracture propagation in tight shale reservoirs (United States)

    Profit, Matthew; Dutko, Martin; Yu, Jianguo; Cole, Sarah; Angus, Doug; Baird, Alan


    This paper presents a novel approach to predict the propagation of hydraulic fractures in tight shale reservoirs. Many hydraulic fracture modelling schemes assume that the fracture direction is pre-seeded in the problem domain discretisation. This is a severe limitation as the reservoir often contains large numbers of pre-existing fractures that strongly influence the direction of the propagating fracture. To circumvent these shortcomings, a new fracture modelling treatment is proposed where the introduction of discrete fracture surfaces is based on new and dynamically updated geometrical entities rather than the topology of the underlying spatial discretisation. Hydraulic fracturing is an inherently coupled engineering problem with interactions between fluid flow and fracturing when the stress state of the reservoir rock attains a failure criterion. This work follows a staggered hydro-mechanical coupled finite/discrete element approach to capture the key interplay between fluid pressure and fracture growth. In field practice, the fracture growth is hidden from the design engineer and microseismicity is often used to infer hydraulic fracture lengths and directions. Microseismic output can also be computed from changes of the effective stress in the geomechanical model and compared against field microseismicity. A number of hydraulic fracture numerical examples are presented to illustrate the new technology.

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

    Energy Technology Data Exchange (ETDEWEB)

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


    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

  5. A probabilistic fracture mechanics approach for structural reliability assessment of space flight systems (United States)

    Sutharshana, S.; Creager, M.; Ebbeler, D.; Moore, N.


    A probabilistic fracture mechanics approach for predicting the failure life distribution due to subcritical crack growth is presented. A state-of-the-art crack propagation method is used in a Monte Carlo simulation to generate a distribution of failure lives. The crack growth failure model expresses failure life as a function of stochastic parameters including environment, loads, material properties, geometry, and model specification errors. A stochastic crack growth rate model that considers the uncertainties due to scatter in the data and mode misspecification is proposed. The rationale for choosing a particular type of probability distribution for each stochastic input parameter and for specifying the distribution parameters is presented. The approach is demonstrated through a probabilistic crack growth failure analysis of a welded tube in the Space Shuttle Main Engine. A discussion of the results from this application of the methodology is given.

  6. Multiple bilateral lower limb fractures in a 2-year-old child: previously unreported injury with a unique mechanism

    Directory of Open Access Journals (Sweden)

    Anuj Jain


    Full Text Available 【Abstract】Fall from height is a common cause of unintentional injuries in children and accounts for 6% of all trauma-related childhood deaths, usually from head injury. We report a case of a 2-year-old child with multiple fractures of the bilateral lower limbs due to this reason. A child fell from a height of around 15 feet after toppling from a alcony. He developed multiple fractures involving the right femoral shaft, right distal femoral epiphysis (Salter Harris type 2, right distal metaphysis of the tibia and fi bula, and undisplaced Salter Harris type 2 epiphyseal injury of the left distal tibia. There were no head, abdominal or spinal injuries. The patient was taken into emergency operation theatre after initial management which consisted of intravenous fl uids, blood transfusion, and splintage of both lower limbs. Fracture of the femoral shaft was treated by closed reduction and fixation using two titanium elastic nails. Distal femoral physeal injury required open eduction and fixation with K wires. Distal tibia fractures were closely reduced and managed nonoperatively in both the lower limbs. All the fractures united in four weeks. At the last follow-up, the child had no disability and was able to perform daily ctivities comfortably. We also proposed the unique mechanism of injury in this report. Key words: Multiple bilateral lower limb fractures; Fall; Child

  7. Mechanics of tungsten blistering II: Analytical treatment and fracture mechanical assessment (United States)

    Li, Muyuan; You, Jeong-Ha


    Since a decade the blistering of pure tungsten under hydrogen implantation has been one of the major research topics in relation to the plasma-wall interaction of tungsten-armored first wall. Overall blistering may reduce the erosion lifetime of the wall. Mature blisters grown by high internal pressure are likely to burst leading to exfoliation of the surface. Therefore, the control and suppression of blistering is an important concern for sustainable operation of the tungsten-armored plasma-facing components. In this context, a quantitative assessment of the mechanical conditions for blister bulging and growth is an important concern. In this article a theoretical framework is presented to describe the bulging deformation of tungsten blisters and to estimate the mechanical driving force of blister growth. The validity of the analytical formulations based on the theory of elastic plates is evaluated with the help of finite element analysis. Plastic strains and J-integral values at the blister boundary edge are assessed by means of numerical simulation. Extensive parametric studies were performed for a range of blister geometry (cap aspect ratio), gas pressure, yield stress and hardening rate. The characteristic features of the blistering mechanics are discussed and the cracking energy is quantitatively estimated for the various combinations of parameters.

  8. Nano sculpt: A methodology for generating complex realistic configurations for atomistic simulations. (United States)

    Prakash, A; Hummel, M; Schmauder, S; Bitzek, E


    Atomistic simulations have now become commonplace in the study of the deformation and failure of materials. Increase in computing power in recent years has made large-scale simulations with billions, or even trillions, of atoms a possibility. Most simulations to-date, however, are still performed with quasi-2D geometries or rather simplistic 3D setups. Although controlled studies on such well-defined structures are often required to obtain quantitative information from atomistic simulations, for qualitative studies focusing on e.g. the identification of mechanisms, researchers would greatly benefit from a methodology that helps realize more realistic configurations. The ideal scenario would be a one-on-one reconstruction of experimentally observed structures. To this end, we propose a new method and software tool called nano sculpt with the following features:•The method allows for easy sample generation for atomistic simulations from any arbitrarily shaped 3D enclosed volume.•The tool can be used to build atomistic samples from artificial geometries, including CAD geometries and structures obtained from simulation methods other than atomistic simulations.•The tool enables the generation of experimentally informed atomistic samples, by e.g. digitization of micrographs or usage of tomography data.

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

    KAUST Repository

    Almuhammadi, Khaled


    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.

  10. [Acetabular fractures]. (United States)

    Gänsslen, A; Oestern, H J


    Treatment of acetabular fractures requires extensive knowledge of the bony anatomy, the amount of possible exposure of the bone with the selected approaches and fracture type-dependent indications of operative treatment. Classification of the fracture with detailed analysis of the fracture morphology is the basis for decision making and planning. The primary treatment aim is the anatomic reconstruction of the acetabulum which results in optimal long-term results.The basis of this overview is the presentation of standard treatment concepts in acetabular fracture surgery. Beside characteristics of the acetabular bony anatomy, biomechanical and pathomechanical principles and the relevant radiological anatomy, the treatment options, both conservative and operative and basic principles of the indications for standard surgical approaches will be discussed.The special fracture type is discussed in detail regarding incidence, injury mechanism, concomitant injuries, options for conservative and operative treatment, quality of operative reduction and long-term results.Furthermore, epidemiological data on typical postoperative complications are evaluated.

  11. Atomistic simulations of dislocation processes in copper

    DEFF Research Database (Denmark)

    Vegge, T.; Jacobsen, K.W.


    We discuss atomistic simulations of dislocation processes in copper based on effective medium theory interatomic potentials. Results on screw dislocation structures and processes are reviewed with particular focus on point defect mobilities and processes involving cross slip. For example, the sta......We discuss atomistic simulations of dislocation processes in copper based on effective medium theory interatomic potentials. Results on screw dislocation structures and processes are reviewed with particular focus on point defect mobilities and processes involving cross slip. For example...

  12. Importance of fracture mechanics for materials development. Safety analysis of steel structures using fracture mechanics methods. Bedeutung der Bruchmechanik fuer die Werkstoffentwicklung. Sicherheitsanalyse von Bauwerken aus Stahl mit Hilfe bruchmechanischer Methoden

    Energy Technology Data Exchange (ETDEWEB)

    Dahl, W. (Technische Hochschule Aachen (Germany, F.R.). Lehrstuhl und Inst. fuer Eisenhuettenkunde)


    Following a brief description of the safety analysis procedure, the article deals with the fracture mechanics behaviour of cracked components and material test pieces. A component is assessed by comparing the loads (stress applied, maximum stress intensity, etc.) and the material characteristics (proof stress, fracture toughness, critical J-integral, etc.). Quantifying the toughness of materials is a particularly important aspect. It can be further improved by material development (increased purity, less segregation, finer grain). Generally valid equations cannot be expected but reliable estimates of the relationships are possible. (orig.).

  13. Mechanical properties and failure characteristics of fractured sandstone with grouting and anchorage

    Institute of Scientific and Technical Information of China (English)

    Zong Yijiang; Han Lijun; Qu Tao; Yang Shengqi


    Based on uniaxial compression experimental results on fractured sandstone with grouting and anchorage, we studied the strength and deformation properties, the failure model, crack formation and evolution laws of fractured sandstone under different conditions of anchorage. The experimental results show that the strength and elastic modulus of fractured sandstone with different fracture angles are sig-nificantly lower than those of intact sandstone. Compared with the fractured samples without anchorage, the peak strength, residual strength, peak and ultimate axial strain of fractured sandstone under different anchorage increase by 64.5-320.0%, 62.8-493.0%, and 31.6-181.4%, respectively. The number of bolts and degree of pre-stress has certain effects on the peak strength and failure model of fractured sandstone. The peak strength of fractured sandstone under different anchorage increases to some extent, and the failure model of fractured sandstone also transforms from tensile failure to tensile-shear mixed failure with the number of bolts. The pre-stress can restrain the formation and evolution process of tensile cracks, delay the failure process of fractured sandstone under anchorage and impel the transformation of failure model from brittle failure to plastic failure.

  14. 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.;


    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...

  15. Influence of ion nitriding regime on mechanical properties and fracture mechanism of austenitic steel subjected to different thermomechanical treatments (United States)

    Moskvina, Valentina; Astafurova, Elena; Ramazanov, Kamil; Melnikov, Eugene; Maier, Galina; Budilov, Vladimir


    The effect of thermomechanical treatments and low-temperature ion nitriding on mechanical properties and a fracture mechanism of stable austenitic stainless steel Fe-17Cr-13Ni-1.7Mn-2.7Mo-0.5Si-0.01C (in wt %, 316L-type) was investigated. Irrespective of initial heat treatments of steel and the regime of nitrogen saturation, traditional ion nitriding and nitriding with hollow cathode effect do not influence the stages of plastic flow and strain hardening; instead, they contribute to surface hardening of steel samples and reduce their plastic properties due to formation of a brittle surface layer. Ion nitriding leads to formation of a hardened surface layer with the microhardness of 12 GPa. Formation of a high-defective grain/subgrain structure with high dislocation density contributes to strengthening of steel samples under ion nitriding and formation of a thicker strengthened layer in comparison with fine-crystalline and coarse-crystalline samples.


    Energy Technology Data Exchange (ETDEWEB)

    Robert Podgorney; Chuan Lu; Hai Huang


    Development of enhanced geothermal systems (EGS) will require creation of a reservoir of sufficient volume to enable commercial-scale heat transfer from the reservoir rocks to the working fluid. A key assumption associated with reservoir creation/stimulation is that sufficient rock volumes can be hydraulically fractured via both tensile and shear failure, and more importantly by reactivation of naturally existing fractures (by shearing), to create the reservoir. The advancement of EGS greatly depends on our understanding of the dynamics of the intimately coupled rock-fracture-fluid-heat system and our ability to reliably predict how reservoirs behave under stimulation and production. Reliable performance predictions of EGS reservoirs require accurate and robust modeling for strongly coupled thermal-hydrological-mechanical (THM) processes. Conventionally, these types of problems have been solved using operator-splitting methods, usually by coupling a subsurface flow and heat transport simulators with a solid mechanics simulator via input files. An alternative approach is to solve the system of nonlinear partial differential equations that govern multiphase fluid flow, heat transport, and rock mechanics simultaneously, using a fully coupled, fully implicit solution procedure, in which all solution variables (pressure, enthalpy, and rock displacement fields) are solved simultaneously. This paper describes numerical simulations used to investigate the poro- and thermal- elastic effects of working fluid injection and thermal energy extraction on the properties of the fractures and rock matrix of a hypothetical EGS reservoir, using a novel simulation software FALCON (Podgorney et al., 2011), a finite element based simulator solving fully coupled multiphase fluid flow, heat transport, rock deformation, and fracturing using a global implicit approach. Investigations are also conducted on how these poro- and thermal-elastic effects are related to fracture permeability

  17. Fracture Mechanics, Crack Propagation and Microhardness Studies on Flux Grown ErAlO3 Single Crystals

    Institute of Scientific and Technical Information of China (English)


    Results on fracture mechanics and crack propagation have been obtained, making use of Vickers microhardness studies on two different crystallographic planes [(110) and (001)] of flux grown erbium aluminate crystals in the load ranging from 10~100 g. The variation of microhardness with load which is best explained by Hays and Kendall's law leads to the load independent values of hardness. Classification of cracks is dealt with and it is reported that the transition from Palmqvist to median types of cracks occurs at higher loads. The values of fracture toughness (Kc), and brittleness index (Bi) are calculated using median types of cracks.

  18. Fracture mechanics by three-dimensional crack-tip synchrotron X-ray microscopy. (United States)

    Withers, P J


    To better understand the relationship between the nucleation and growth of defects and the local stresses and phase changes that cause them, we need both imaging and stress mapping. Here, we explore how this can be achieved by bringing together synchrotron X-ray diffraction and tomographic imaging. Conventionally, these are undertaken on separate synchrotron beamlines; however, instruments capable of both imaging and diffraction are beginning to emerge, such as ID15 at the European Synchrotron Radiation Facility and JEEP at the Diamond Light Source. This review explores the concept of three-dimensional crack-tip X-ray microscopy, bringing them together to probe the crack-tip behaviour under realistic environmental and loading conditions and to extract quantitative fracture mechanics information about the local crack-tip environment. X-ray diffraction provides information about the crack-tip stress field, phase transformations, plastic zone and crack-face tractions and forces. Time-lapse CT, besides providing information about the three-dimensional nature of the crack and its local growth rate, can also provide information as to the activation of extrinsic toughening mechanisms such as crack deflection, crack-tip zone shielding, crack bridging and crack closure. It is shown how crack-tip microscopy allows a quantitative measure of the crack-tip driving force via the stress intensity factor or the crack-tip opening displacement. Finally, further opportunities for synchrotron X-ray microscopy are explored.

  19. Nonlinear fracture mechanics investigation on the ductility of reinforced concrete beams

    Directory of Open Access Journals (Sweden)

    A. Carpinteri

    Full Text Available In the present paper, a numerical algorithm based on the finite element method is proposed for the prediction of the mechanical response of reinforced concrete (RC beams under bending loading. The main novelty of such an approach is the introduction of the Overlapping Crack Model, based on nonlinear fracture mechanics concepts, to describe concrete crushing. According to this model, the concrete dam- age in compression is represented by means of a fictitious interpenetration. The larger is the interpenetration, the lower are the transferred forces across the damaged zone. The well-known Cohesive Crack Model in tension and an elastic-perfectly plastic stress versus crack opening displacement relationship describing the steel reinforcement behavior are also integrated into the numerical algorithm. The application of the proposed Cohesive-Overlapping Crack Model to the assessment of the minimum reinforcement amount neces- sary to prevent unstable tensile crack propagation and to the evaluation of the rotational capacity of plastic hinges, permits to predict the size-scale effects evidenced by several experimental programs available in the literature. According to the obtained numerical results, new practical design formulae and diagrams are proposed for the improvement of the current code provisions which usually disregard the size effects.

  20. Fracture mechanics analysis on Smart-Cut technology. Part 2: Effect of bonding flaws

    Institute of Scientific and Technical Information of China (English)

    Bin Gu; Hongyuan Liu; Yiu-Wing Mai; Xi Qiao Feng; Shou Wen Yu


    In Part 2 of the paper on the Smart-Cut process,the effects of bonding flaws characterized by the size and internal pressure before and after splitting are studied by using fracture mechanics models. It is found that the bonding flaws with large size are prone to cause severe deviation of defect growth, leading to a non-transferred area of thin layer when splitting. In a practical Smart-Cut process where the internal pressure of bonding flaws is very small,large interfacial defects always promote defect growth in the splitting process. Meanwhile, increasing the internal pressure of the bonding flaws decreases the defect growth and its deviation before splitting. The mechanism of relaxation of stiffener constraint is proposed to clarify the effect of bonding flaws. Moreover, the progress of the splitting process is analyzed when bonding flaws are present. After splitting,those bonding flaws with large size and high internal pressure are vulnerable for the blistering of the thin film during high-temperature annealing.

  1. Hygrothermal effects on dynamic mechanical snalysis and fracture behavior of polymeric composites

    Directory of Open Access Journals (Sweden)

    Michelle Leali Costa


    Full Text Available Polymer composites used above their glass transition temperatures Tg present a substantial degradation of physical properties; therefore a material's glass transition temperature and its change with moisture absorption are of practical importance. Little attention has been paid to the role of the adhesive bonding between the reinforcing fiber and matrix, particularly for BMI matrix. In this work the effect of moisture on the dynamic mechanical behavior and the fiber/matrix interface was investigated. Two systems were evaluated: carbon fabric/epoxy and carbon fabric/bismaleimide laminates. The results demonstrated that the moisture absorbed by the laminates causes either reversible or irreversible plasticization of the matrix. The humidity combined with the temperature effects may cause significant changes in the Tg matrix and toughness affecting the laminate strength. Moisture absorption was correlated to the fracture mode of the laminate demonstrating the deleterious effect of moisture on the interface. This leads to debonding between fiber and matrix. This behavior was investigated by scanning electron microscopy and dynamic mechanical analysis.

  2. Fracture Mechanics Method for Word Embedding Generation of Neural Probabilistic Linguistic Model

    Directory of Open Access Journals (Sweden)

    Size Bi


    Full Text Available Word embedding, a lexical vector representation generated via the neural linguistic model (NLM, is empirically demonstrated to be appropriate for improvement of the performance of traditional language model. However, the supreme dimensionality that is inherent in NLM contributes to the problems of hyperparameters and long-time training in modeling. Here, we propose a force-directed method to improve such problems for simplifying the generation of word embedding. In this framework, each word is assumed as a point in the real world; thus it can approximately simulate the physical movement following certain mechanics. To simulate the variation of meaning in phrases, we use the fracture mechanics to do the formation and breakdown of meaning combined by a 2-gram word group. With the experiments on the natural linguistic tasks of part-of-speech tagging, named entity recognition and semantic role labeling, the result demonstrated that the 2-dimensional word embedding can rival the word embeddings generated by classic NLMs, in terms of accuracy, recall, and text visualization.

  3. A witnessed case of a classic metaphyseal fracture caused during IV line placement in a child: Insight into mechanism of injury. (United States)

    Burrell, Tanya; Opfer, Erin; Berglund, Lisa; Lowe, Lisa H; Anderst, James


    Recent publications argue that classic metaphyseal fractures are caused by rickets as opposed to trauma. Previous case reports of accidental traumatic classic metaphyseal fractures have been discounted due to lack of identification of the fracture at the time of the traumatic event, and lack of an evaluation for boney metabolic disorders. We report a case of a 20 day old male with a diagnosis of congenital vertical talus who sustained a classic metaphyseal fracture of the distal tibia during manipulation in preparation for intravenous line placement. The mechanics of the event causing the classic metaphyseal fracture were witnessed and accompanied by an audible "pop". Prior x-rays of the tibia demonstrate normal osseous morphology, and an evaluation for boney metabolic disorders was normal. This case identifies a traumatic classic metaphyseal fracture and provides insight into the types of forces necessary to cause such a fracture.

  4. Investigation of the mechanical properties and failure modes of hybrid natural fiber composites for potential bone fracture fixation plates. (United States)

    Manteghi, Saeed; Mahboob, Zia; Fawaz, Zouheir; Bougherara, Habiba


    The purpose of this study is to investigate the mechanical feasibility of a hybrid Glass/Flax/Epoxy composite material for bone fracture fixation such as fracture plates. These hybrid composite plates have a sandwich structure in which the outer layers are made of Glass/Epoxy and the core from Flax/Epoxy. This configuration resulted in a unique structure compared to prior composites proposed for similar clinical applications. In order to evaluate the mechanical properties of this hybrid composite, uniaxial tension, compression, three-point bending and Rockwell Hardness tests were conducted. In addition, water absorption tests were performed to investigate the rate of water absorption for the specimens. This study confirms that the proposed hybrid composite plates are significantly more flexible axially compared to conventional metallic plates. Furthermore, they have considerably higher ultimate strength in tension, compression and flexion. Such high strength will ensure good stability of bone-implant construct at the fracture site, immobilize adjacent bone fragments and carry clinical-type forces experienced during daily normal activities. Moreover, this sandwich structure with stronger and stiffer face sheets and more flexible core can result in a higher stiffness and strength in bending compared to tension and compression. These qualities make the proposed hybrid composite an ideal candidate for the design of an optimized fracture fixation system with much closer mechanical properties to human cortical bone.

  5. Rib stress fractures among rowers: definition, epidemiology, mechanisms, risk factors and effectiveness of injury prevention strategies. (United States)

    McDonnell, Lisa K; Hume, Patria A; Nolte, Volker


    Rib stress fractures (RSFs) can have serious effects on rowing training and performance and accordingly represent an important topic for sports medicine practitioners. Therefore, the aim of this review is to outline the definition, epidemiology, mechanisms, intrinsic and extrinsic risk factors, injury management and injury prevention strategies for RSF in rowers. To this end, nine relevant books, 140 journal articles, the proceedings of five conferences and two unpublished presentations were reviewed after searches of electronic databases using the keywords 'rowing', 'rib', 'stress fracture', 'injury', 'mechanics' and 'kinetics'. The review showed that RSF is an incomplete fracture occurring from an imbalance between the rate of bone resorption and the rate of bone formation. RSF occurs in 8.1-16.4% of elite rowers, 2% of university rowers and 1% of junior elite rowers. Approximately 86% of rowing RSF cases with known locations occur in ribs four to eight, mostly along the anterolateral/lateral rib cage. Elite rowers are more likely to experience RSF than nonelite rowers. Injury occurrence is equal among sweep rowers and scullers, but the regional location of the injury differs. The mechanism of injury is multifactorial with numerous intrinsic and extrinsic risk factors contributing. Posterior-directed resultant forces arising from the forward directed force vector through the arms to the oar handle in combination with the force vector induced by the scapula retractors during mid-drive, or repetitive stress from the external obliques and rectus abdominis in the 'finish' position, may be responsible for RSF. Joint hypomobility, vertebral malalignment or low bone mineral density may be associated with RSF. Case studies have shown increased risk associated with amenorrhoea, low bone density or poor technique, in combination with increases in training volume. Training volume alone may have less effect on injury than other factors. Large differences in seat and handle

  6. Multiple bilateral lower limb fractures in a 2-year-old child: previously unreported injury with a unique mechanism

    Institute of Scientific and Technical Information of China (English)

    Basant Repswal; Anuj Jain; Sunil Gupta; Aditya Aggarwal; Tushar Kohli; Devendra Pathrot


    Fall from height is a common cause of unintentional injuries in children and accounts for 6% of all trauma-related childhood deaths,usually from head injury.We report a case of a 2-year-old child with multiple fractures of the bilateral lower limbs due to this reason.A child fell from a height of around 15 feet after toppling from a balcony.He developed multiple fractures involving the right femoral shaft,right distal femoral epiphysis (Salter Harris type 2),right distal metaphysis of the tibia and fibula,and undisplaced Salter Harris type 2 epiphyseal injury of the left distal tibia.There were no head,abdominal or spinal injuries.The patient was taken into emergency operation theatre after initial management which consisted of intravenous fluids,blood transfusion,and splintage of both lower limbs.Fracture of the femoral shaft was treated by closed reduction and fixation using two titanium elastic nails.Distal femoral physeal injury required open reduction and fixation with K wires.Distal tibia fractures were closely reduced and managed nonoperatively in both the lower limbs.All the fractures united in four weeks.At the last follow-up,the child had no disability and was able to perform daily activities comfortably.We also proposed the unique mechanism of injury in this report.

  7. 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: [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)


    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

  8. 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.


    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

  9. Nanoindentation and micro-mechanical fracture toughness of electrodeposited nanocrystalline Ni-W alloy films

    Energy Technology Data Exchange (ETDEWEB)

    Armstrong, D.E.J., E-mail: [Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH (United Kingdom); Haseeb, A.S.M.A. [Department of Mechanical Engineering, University of Malaya, 50603 Kuala Lumpur (Malaysia); Roberts, S.G.; Wilkinson, A.J. [Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH (United Kingdom); Bade, K. [Institut fuer Mikrostrukturtechnik (IMT), Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany)


    Nanocrystalline nickel-tungsten alloys have great potential in the fabrication of components for microelectromechanical systems. Here the fracture toughness of Ni-12.7 at.%W alloy micro-cantilever beams was investigated. Micro-cantilevers were fabricated by UV lithography and electrodeposition and notched by focused ion beam machining. Load was applied using a nanoindenter and fracture toughness was calculated from the fracture load. Fracture toughness of the Ni-12.7 at.%W was in the range of 1.49-5.14 MPa {radical}m. This is higher than the fracture toughness of Si (another important microelectromechanical systems material), but considerably lower than that of electrodeposited nickel and other nickel based alloys. - Highlights: Black-Right-Pointing-Pointer Micro-scale cantilevers manufactured by electro-deposition and focused ion beam machining. Black-Right-Pointing-Pointer Nanoindenter used to perform micro-scale fracture test on Ni-13at%W micro-cantilevers. Black-Right-Pointing-Pointer Calculation of fracture toughness of electrodeposited Ni-13at%W thin films. Black-Right-Pointing-Pointer Fracture toughness values lower than that of nanocrystalline nickel.

  10. Influence of mechanical rock properties and fracture healing rate on crustal fluid flow dynamics (United States)

    Sachau, Till; Bons, Paul; Gomez-Rivas, Enrique; Koehn, Daniel; de Riese, Tamara


    Fluid flow in the Earth's crust is very slow over extended periods of time, during which it occurs within the connected pore space of rocks. If the fluid production rate exceeds a certain threshold, matrix permeability alone is insufficient to drain the fluid volume and fluid pressure builds up, thereby reducing the effective stress supported by the rock matrix. Hydraulic fractures form once the effective pressure exceeds the tensile strength of the rock matrix and act subsequently as highly effective fluid conduits. Once local fluid pressure is sufficiently low again, flow ceases and fractures begin to heal. Since fluid flow is controlled by the alternation of fracture permeability and matrix permeability, the flow rate in the system is strongly discontinuous and occurs in intermittent pulses. Resulting hydraulic fracture networks are largely self-organized: opening and subsequent healing of hydraulic fractures depends on the local fluid pressure and on the time-span between fluid pulses. We simulate this process with a computer model and describe the resulting dynamics statistically. Special interest is given to a) the spatially and temporally discontinuous formation and closure of fractures and fracture networks and b) the total flow rate over time. The computer model consists of a crustal-scale dual-porosity setup. Control parameters are the pressure- and time-dependent fracture healing rate, and the strength and the permeability of the intact rock. Statistical analysis involves determination of the multifractal properties and of the power spectral density of the temporal development of the total drainage rate and hydraulic fractures. References Bons, P. D. (2001). The formation of large quartz veins by rapid ascent of fluids in mobile hydrofractures. Tectonophysics, 336, 1-17. Miller, S. a., & Nur, A. (2000). Permeability as a toggle switch in fluid-controlled crustal processes. Earth and Planetary Science Letters, 183(1-2), 133-146. Sachau, T., Bons, P. D

  11. Atomistic modeling of dropwise condensation (United States)

    Sikarwar, B. S.; Singh, P. L.; Muralidhar, K.; Khandekar, S.


    The basic aim of the atomistic modeling of condensation of water is to determine the size of the stable cluster and connect phenomena occurring at atomic scale to the macroscale. In this paper, a population balance model is described in terms of the rate equations to obtain the number density distribution of the resulting clusters. The residence time is taken to be large enough so that sufficient time is available for all the adatoms existing in vapor-phase to loose their latent heat and get condensed. The simulation assumes clusters of a given size to be formed from clusters of smaller sizes, but not by the disintegration of the larger clusters. The largest stable cluster size in the number density distribution is taken to be representative of the minimum drop radius formed in a dropwise condensation process. A numerical confirmation of this result against predictions based on a thermodynamic model has been obtained. Results show that the number density distribution is sensitive to the surface diffusion coefficient and the rate of vapor flux impinging on the substrate. The minimum drop radius increases with the diffusion coefficient and the impinging vapor flux; however, the dependence is weak. The minimum drop radius predicted from thermodynamic considerations matches the prediction of the cluster model, though the former does not take into account the effect of the surface properties on the nucleation phenomena. For a chemically passive surface, the diffusion coefficient and the residence time are dependent on the surface texture via the coefficient of friction. Thus, physical texturing provides a means of changing, within limits, the minimum drop radius. The study reveals that surface texturing at the scale of the minimum drop radius does not provide controllability of the macro-scale dropwise condensation at large timescales when a dynamic steady-state is reached.

  12. A New Approach to the Modeling and Analysis of Fracture through Extension of Continuum Mechanics to the Nanoscale

    KAUST Repository

    Sendova, T.


    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. Fracture Mechanics Analyses of the Slip-Side Joggle Regions of Wing-Leading Edge Panels (United States)

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


    The Space Shuttle Orbiter wing comprises of 22 leading edge panels on each side of the wing. These panels are part of the thermal protection system that protects the Orbiter wings from extreme heating that take place on the reentry in to the earth atmosphere. On some panels that experience extreme heating, liberation of silicon carbon (SiC) coating was observed on the slip side regions of the panels. Global structural and local fracture mechanics analyses were performed on these panels as a part of the root cause investigation of this coating liberation anomaly. The wing-leading-edge reinforced carbon-carbon (RCC) panels, Panel 9, T-seal 10, and Panel 10, are shown in Figure 1 and the progression of the stress analysis models is presented in Figure 2. The global structural analyses showed minimal interaction between adjacent panels and the T-seal that bridges the gap between the panels. A bounding uniform temperature is applied to a representative panel and the resulting stress distribution is examined. For this loading condition, the interlaminar normal stresses showed negligible variation in the chord direction and increased values in the vicinity of the slip-side joggle shoulder. As such, a representative span wise slice on the panel can be taken and the cross section can be analyzed using plane strain analysis.

  14. Fatigue properties and fracture mechanism of load carrying type fillet joints with one-sided welding

    Directory of Open Access Journals (Sweden)

    Takamasa Abe


    Full Text Available The structures of the hydraulic excavator and the crane have numerous one-sided welded joints. However, attachments with box like structures are difficult to weld at both sides. Therefore, high accurate evaluation method is needed. In this study, the fatigue properties and the fracture mechanism of the load carrying type fillet joints with one-sided welding were investigated experimentally to evaluate its fatigue damage with high accuracy based on the experimental results. As the results, fatigue cracks in the test piece initiated from the tip of the unwelded portion and propagated into the welding materials. Multiple welding defects were observed in the unwelded portion, but did not appear to be crack origins. Although these welding defects affected the direction of crack propagation they exerted minimal influence. The three-dimensional observations revealed that fatigue cracks initiate at an early stage of the fatigue development. We infer that the fatigue lifetime is chiefly governed by the crack propagation lifetime. Cracks were initiated at multiple sites in the test piece. As the number of cycles increased, these cracks propagated and combined. So considering the combination of cracks from multiple crack origins is important for a precise evaluation of fatigue damage.

  15. Fatigue properties and fracture mechanism of load carrying type fillet joints with one-sided welding

    Directory of Open Access Journals (Sweden)

    Takamasa Abe


    Full Text Available The structures of the hydraulic excavator and the crane have numerous one-sided welded joints. However, attachments with box like structures are difficult to weld at both sides. Therefore, high accurate evaluation method is needed. In this study, the fatigue properties and the fracture mechanism of the load carrying type fillet joints with one-sided welding were investigated experimentally to evaluate its fatigue damage with high accuracy based on the experimental results. As the results, fatigue cracks in the test piece initiated from the tip of the unwelded portion and propagated into the welding materials. Multiple welding defects were observed in the unwelded portion, but did not appear to be crack origins. Although these welding defects affected the direction of crack propagation they exerted minimal influence. The three-dimensional observations revealed that fatigue cracks initiate at an early stage of the fatigue development. We infer that the fatigue lifetime is chiefly governed by the crack propagation lifetime. Cracks were initiated at multiple sites in the test piece. As the number of cycles increased, these cracks propagated and combined. So considering the combination of cracks from multiple crack origins is important for a precise evaluation of fatigue damage.

  16. Pressure vessels design methods using the codes, fracture mechanics and multiaxial fatigue

    Directory of Open Access Journals (Sweden)

    Fatima Majid


    Full Text Available This paper gives a highlight about pressure vessel (PV methods of design to initiate new engineers and new researchers to understand the basics and to have a summary about the knowhow of PV design. This understanding will contribute to enhance their knowledge in the selection of the appropriate method. There are several types of tanks distinguished by the operating pressure, temperature and the safety system to predict. The selection of one or the other of these tanks depends on environmental regulations, the geographic location and the used materials. The design theory of PVs is very detailed in various codes and standards API, such as ASME, CODAP ... as well as the standards of material selection such as EN 10025 or EN 10028. While designing a PV, we must design the fatigue of its material through the different methods and theories, we can find in the literature, and specific codes. In this work, a focus on the fatigue lifetime calculation through fracture mechanics theory and the different methods found in the ASME VIII DIV 2, the API 579-1 and EN 13445-3, Annex B, will be detailed by giving a comparison between these methods. In many articles in the literature the uniaxial fatigue has been very detailed. Meanwhile, the multiaxial effect has not been considered as it must be. In this paper we will lead a discussion about the biaxial fatigue due to cyclic pressure in thick-walled PV. Besides, an overview of multiaxial fatigue in PVs is detailed

  17. Fracture mechanism of TiAl intermetallics caused by hydride and atomic hydrogen

    Institute of Scientific and Technical Information of China (English)

    高克玮; 王燕斌; 林志; 乔利杰; 褚武扬


    Hydrogen embrittlement (HE) of TiAl intermetallics was studied at room temperature. The results showed that there were two forms of HE in TiAl intermetallics, i.e. hydride HE and atomic HE. Most of hydrogen in TiAl intermetallics was transformed into hydrides at room temperature. The hydride exists as (TiAl)Hx for a low hydrogen concentration while it exists in several forms for a higher hydrogen concentration. Stress intensity factor KIC decreased with increase in hydride concentration. KIC decreased further when TiAl intermetallics were charged cathodically with hydrogen in 1 mol/L H2SO4 solution. Stress intensity factor during hydrogen charging KIH was about 50% KIC. 20% of the decrease was caused by hydrides while 30% was caused by atomic hydrogen. Mechanism of HE caused hydrides was the same as any other second phase in nature. Delayed fracture caused by atomic hydrogen resulted from hydrogen induced local plastic deformation.

  18. Development of fracture mechanics data for two hydrazine APU turbine wheel materials (United States)

    Curbishley, G.


    The effects of high temperature, high pressure ammonia were measured on the fracture mechanics and fatigue properties of Astroloy and Rene' 41 turbine wheel materials. Also, the influence of protective coatings on these properties was investigated. Specimens of forged bar stock were subjected to LCF and HCF tests at 950 K (1250 F) and 3.4 MN/sq m (500 psig) pressure, in ammonia containing about 1.5 percent H2O. Aluminized samples (Chromizing Company's Al-870) and gold plated test bars were compared with uncoated specimens. Comparison tests were also run in air at 950 K (1250 F), but at ambient pressures. K sub IE and K sub TH were determined on surface flawed specimens in both the air and ammonia in both uncoated and gold plated conditions. Gold plated specimens exhibited better properties than uncoated samples, and aluminized test bars generally had lower properties. The fatigue properties of specimens tested in ammonia were higher than those tested in air, yet the K sub TH values of ammonia tested samples were lower than those tested in air. However, insufficient specimens were tested to develop significant design data.

  19. Variable amplitude corrosion fatigue and fracture mechanics of weldable high strength jack-up steels (United States)

    Etube, Linus Sone

    The tubular welded joints used in the construction of Offshore structures can experience millions of variable amplitude wave induced stress cycles during their operational life. Fatigue has been identified as the main cause of degradation of structural integrity in these structures. As a result, fatigue is an important consideration in their design. Jack-up legs are made from a range of high strength steels with yield strengths up to TOOMPa. These steels are thought to exhibit fatigue resistance properties which are different when compared with conventional fixed platform steels such as BS 4360 50D and BS 7191 355D. The difference in their behaviour was heightened by the discovery, in the late 80s and early 90s, of extensive cracking around the spud can regions of several Jack-ups operating in the North Sea. It was thought that these steels may be more susceptible to hydrogen cracking and embrittlement. There was the additional requirement to study their behaviour under realistic loading conditions typical of the North Sea environment. This thesis contains results of an investigation undertaken to assess the performance of a typical high strength weldable Jack-up steel under realistic loading and environmental conditions. Details of the methodology employed to develop a typical Jack-up Offshore Standard load History (JOSH) are presented. The factors which influence fatigue resistance of structural steels used in the construction of Jack-up structures are highlighted. The methods used to model the relevant factors for inclusion in JOSH are presented with particular emphasis on loading and structural response interaction. Results and details of experimental variable amplitude corrosion fatigue (VACF) tests conducted using JOSH are reported and discussed with respect to crack growth mechanisms in high strength weldable Jack-up steels. Different fracture mechanics models for VACF crack growth prediction are compared and an improved generalised methodology for fast

  20. Atomistic Molecular Dynamics Simulations of Mitochondrial DNA Polymerase γ

    DEFF Research Database (Denmark)

    Euro, Liliya; Haapanen, Outi; Róg, Tomasz


    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...... 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...

  1. Atomistic computer simulations a practical guide

    CERN Document Server

    Brazdova, Veronika


    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

  2. Fracture Mechanics Models for Brittle Failure of Bottom Rails due to Uplift in Timber Frame Shear Walls

    Directory of Open Access Journals (Sweden)

    Joergen L. Jensen


    Full Text Available In partially anchored timber frame shear walls, hold-down devices are not provided; hence the uplift forces are transferred by the fasteners of the sheathing-to-framing joints into the bottom rail and via anchor bolts from the bottom rail into the foundation. Since the force in the anchor bolts and the sheathing-to-framing joints do not act in the same vertical plane, the bottom rail is subjected to tensile stresses perpendicular to the grain and splitting of the bottom rail may occur. This paper presents simple analytical models based on fracture mechanics for the analysis of such bottom rails. An existing model is reviewed and several alternative models are derived and compared qualitatively and with experimental data. It is concluded that several of the fracture mechanics models lead to failure load predictions which seem in sufficiently good agreement with the experimental results to justify their application in practical design.

  3. Deformation mechanism under essential work of fracture process in polycyclo-olefin materials

    Directory of Open Access Journals (Sweden)


    Full Text Available The fracture toughness of a glassy polycyclo-olefin (PCO was investigated by the essential work of fracture (EWF method using a double-edge notched specimens. It was shown that the PCO follows the EWF concept in the temperature range between room temperature and glass transition temperature Tg where the ligament yielding appear at a maximum point on the stress-displacement curves and subsequently the necking and tearing processes take place in the post yielding region. The essential work of fracture required for the ligament yielding drops as the temperature approaches Tg. The non-essential work of fracture attributed to tearing process after yielding is consumed to expand the plastic region and causes molecular chains to orient to the stretching direction.

  4. Effects of heat treatment and testing temperature on fracture mechanics behavior of low-Si CA-15 stainless steel (United States)

    Hsu, Cheng-Hsun; Lee, Shen-Chih; Teng, Hwei-Yuan


    This research studied the effects of heat treatment and testing temperature on fracture mechanics behavior of Si-modified CA-15 martensitic stainless steel (MSS), which is similar to AISI 403 grade stainless steel, which has been widely used in wall and blanket structures and in the pipe of nuclear power plant reactors, turbine blades, and nozzles. The results indicated that fracture toughness of low-Si CA-15 MSS is better than that of AISI 403. The specimens of the low-Si CA-15 MSS after austenitization at 1010 °C and then tempering at 300 °C have higher plane-strain fracture toughness (K IC ) values for both 25 °C and -150 °C testing temperatures. However, the specimens tested at 150 °C cannot satisfy the plane-strain fracture toughness criteria. The fatigue crack growth rate is the slowest after austenitization at 1010 °C for 2 hours and tempering at 400 °C. Observing the crack propagation paths using a metallographic test, it was found that the cracking paths preferred orientation and branched along ferrite phase, owing to martensite-phase strengthening and grain-boundary-carbide retarding after 300 °C to 400 °C tempering. Also, transmission electron microscopy (TEM), scanning electron microscopy (SEM), and X-ray diffraction analysis were performed to correlate the properties attained to the microstructural observation.

  5. Mechanics of tidally driven fractures in Europa's ice shell and implications for seismic and radar profiling (United States)

    Lee, S.; Pappalardo, R. T.; Makris, N. C.


    Among Europa's surface features, cycloidal cracks are probably the most important for proving the existence of a subsurface liquid ocean. This is because (1) there is strong evidence that they are caused by tidally induced stress [1], and (2) this stress likely only approaches the ice failure strength if an ocean is present. There are a number of outstanding issues, however, in quantitatively explaining cycloidal cracks. First, current estimates of the pure diurnal tidal stress necessary to cause cycloidal cracks even in the presence of an ocean [1,2] is well below the typical stress known to cause tensile failure in natural terrestrial ice [3]. Second, models of ridge formation suggest that cycloidal cracks penetrate through the entire brittle-ice layer [1,4], but current models limit the depth of tidally induced surface cracks to be less than 100 m even in the presence of an ocean [1,5]. Third, the 3-km/h crack propagation speed determined by [1] is three orders of magnitude lower than the roughly 2-km/s speed at which cracks are known to propagate in ice. Our goal is to quantitatively address these issues in a unified manner. To do this, a fracture mechanics model is developed for the initiation and propagation of a crack through an ice layer of finite thickness in the presence of gravitational overburden and porosity. It is shown that Europa's ice shell may be highly porous and salt-rich. This implies that the strength of Europa's outer ice shell may be sufficiently low to make the crack initiation strengths arrived at by current kinematic models [1,2] highly plausible, even though they are much lower than those typically measured for terrestrial ice. A model is developed for the stress intensity factor at a crack tip in an ice shell with finite thickness, gravitational overburden, and depth-dependent porosity. This leads to the conclusion that cycloids are generated as a sequence of discrete and near instantaneous fracture events, each of which penetrates

  6. Atomistic Modelling of Si Nanoparticles Synthesis

    Directory of Open Access Journals (Sweden)

    Giovanni Barcaro


    Full Text Available Silicon remains the most important material for electronic technology. Presently, some efforts are focused on the use of Si nanoparticles—not only for saving material, but also for improving the efficiency of optical and electronic devices, for instance, in the case of solar cells coated with a film of Si nanoparticles. The synthesis by a bottom-up approach based on condensation from low temperature plasma is a promising technique for the massive production of such nanoparticles, but the knowledge of the basic processes occurring at the atomistic level is still very limited. In this perspective, numerical simulations can provide fundamental information of the nucleation and growth mechanisms ruling the bottom-up formation of Si nanoclusters. We propose to model the low temperature plasma by classical molecular dynamics by using the reactive force field (ReaxFF proposed by van Duin, which can properly describe bond forming and breaking. In our approach, first-principles quantum calculations are used on a set of small Si clusters in order to collect all the necessary energetic and structural information to optimize the parameters of the reactive force-field for the present application. We describe in detail the procedure used for the determination of the force field and the following molecular dynamics simulations of model systems of Si gas at temperatures in the range 2000–3000 K. The results of the dynamics provide valuable information on nucleation rate, nanoparticle size distribution, and growth rate that are the basic quantities for developing a following mesoscale model.

  7. Erythropoietin (EPO): EPO-receptor signaling improves early endochondral ossification and mechanical strength in fracture healing. (United States)

    Holstein, Joerg H; Menger, Michael D; Scheuer, Claudia; Meier, Christoph; Culemann, Ulf; Wirbel, Rainer J; Garcia, Patric; Pohlemann, Tim


    Beyond its role in the regulation of red blood cell proliferation, the glycoprotein erythropoietin (EPO) has been shown to promote cell regeneration and angiogenesis in a variety of different tissues. In addition, EPO has been indicated to share significant functional and structural homologies with the vascular endothelial growth factor (VEGF), a cytokine essential in the process of fracture healing. However, there is complete lack of information on the action of EPO in bone repair and fracture healing. Therefore, we investigated the effect of EPO treatment on bone healing in a murine closed femur fracture model using radiological, histomorphometric, immunohistochemical, biomechanical and protein biochemical analysis. Thirty-six SKH1-hr mice were treated with daily i.p. injections of 5000 U/kg EPO from day 1 before fracture until day 4 after fracture. Controls received equivalent amounts of the vehicle. After 2 weeks of fracture healing, we could demonstrate expression of the EPO-receptor (EPOR) in terminally differentiating chondrocytes within the callus. At this time point EPO-treated animals showed a higher torsional stiffness (biomechanical analysis: 39.6+/-19.4% of the contralateral unfractured femur) and an increased callus density (X-ray analysis (callus density/spongiosa density): 110.5+/-7.1%) when compared to vehicle-treated controls (14.3+/-8.2% and 105.9+/-6.6%; pEPO treatment had vanished at 5 weeks after fracture. We conclude that EPO-EPOR signaling is involved in the process of early endochondral ossification, enhancing the transition of soft callus to hard callus.

  8. Fracture mechanics characterisation of the WWER-440 reactor pressure vessel beltline welding seam of Greifswald unit 8

    Energy Technology Data Exchange (ETDEWEB)

    Viehrig, Hans-Werner; Schuhknecht, Jan [Forschungszentrum Dresden-Rossendorf (Germany)


    WWER-440 second generation (V-213) reactor pressure vessels (RPV) were produced by IZHORA in Russia and by SKODA in the former Czechoslovakia. The surveillance Charpy-V and fracture mechanics SE(B) specimens of both producers have different orientations. The main difference is the crack extension direction which is through the RPV thickness and circumferential for ISHORA and SKODA RPV, respectively. In particular for the investigation of weld metal from multilayer submerged welding seams the crack extension direction is of importance. Depending on the crack extension direction in the specimen there are different welding beads or a uniform structure along the crack front. The specimen orientation becomes more important when the fracture toughness of the weld metal is directly determined on surveillance specimens according to the Master Curve (MC) approach as standardised in the ASTM Standard Test Method E1921. This approach was applied on weld metal of the RPV beltline welding seam of Greifswald Unit 8 RPV. Charpy size SE(B) specimens from 13 locations equally spaced over the thickness of the welding seam were tested. The specimens are in TL and TS orientation. The fracture toughness values measured on the SE(B) specimens with both orientations follow the course of the MC. Nearly all values lie within the fracture toughness curves for 5% and 95% fracture probability. There is a strong variation of the reference temperature T{sub 0} though the thickness of the welding seam, which can be explained with structural differences. The scatter is more pronounced for the TS SE(B) specimens. It can be shown that specimens with TS and TL orientation in the welding seam have a differentiating and integrating behaviour, respectively. The statistical assumptions behind the MC approach are valid for both specimen orientations even if the structure is not uniform along the crack front. By comparison crack extension, JR, curves measured on SE(B) specimens with TL and TS orientation

  9. Mechanisms of Plastic and Fracture Instabilities for Alloy Development of Fusion Materials. Final Project Report for period July 15, 1998 - July 14, 2003

    Energy Technology Data Exchange (ETDEWEB)

    Ghoniem, N. M.


    The main objective of this research was to develop new computational tools for the simulation and analysis of plasticity and fracture mechanisms of fusion materials, and to assist in planning and assessment of corresponding radiation experiments.

  10. Atomistic study on the FCC/BCC interface structure with {112}KS orientation

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Keonwook [Los Alamos National Laboratory; Beyerlein, Irene [Los Alamos National Laboratory


    In this study, atomistic simulation is used to explore the atomic interface structure, the intrinsic defect network, and mechanism of twin formation from the {112}KS Cu-Nb interface. The interface structure of different material systems AI-Fe and AI-Nb are also compared with Cu-Nb interface.

  11. Numerical Modeling and Investigation of Fluid-Driven Fracture Propagation in Reservoirs Based on a Modified Fluid-Mechanically Coupled Model in Two-Dimensional Particle Flow Code

    Directory of Open Access Journals (Sweden)

    Jian Zhou


    Full Text Available Hydraulic fracturing is a useful tool for enhancing rock mass permeability for shale gas development, enhanced geothermal systems, and geological carbon sequestration by the high-pressure injection of a fracturing fluid into tight reservoir rocks. Although significant advances have been made in hydraulic fracturing theory, experiments, and numerical modeling, when it comes to the complexity of geological conditions knowledge is still limited. Mechanisms of fluid injection-induced fracture initiation and propagation should be better understood to take full advantage of hydraulic fracturing. This paper presents the development and application of discrete particle modeling based on two-dimensional particle flow code (PFC2D. Firstly, it is shown that the modeled value of the breakdown pressure for the hydraulic fracturing process is approximately equal to analytically calculated values under varied in situ stress conditions. Furthermore, a series of simulations for hydraulic fracturing in competent rock was performed to examine the influence of the in situ stress ratio, fluid injection rate, and fluid viscosity on the borehole pressure history, the geometry of hydraulic fractures, and the pore-pressure field, respectively. It was found that the hydraulic fractures in an isotropic medium always propagate parallel to the orientation of the maximum principal stress. When a high fluid injection rate is used, higher breakdown pressure is needed for fracture propagation and complex geometries of fractures can develop. When a low viscosity fluid is used, fluid can more easily penetrate from the borehole into the surrounding rock, which causes a reduction of the effective stress and leads to a lower breakdown pressure. Moreover, the geometry of the fractures is not particularly sensitive to the fluid viscosity in the approximate isotropic model.

  12. A partitioned model order reduction approach to rationalise computational expenses in nonlinear fracture mechanics (United States)

    Kerfriden, P.; Goury, O.; Rabczuk, T.; Bordas, S.P.A.


    We propose in this paper a reduced order modelling technique based on domain partitioning for parametric problems of fracture. We show that coupling domain decomposition and projection-based model order reduction permits to focus the numerical effort where it is most needed: around the zones where damage propagates. No a priori knowledge of the damage pattern is required, the extraction of the corresponding spatial regions being based solely on algebra. The efficiency of the proposed approach is demonstrated numerically with an example relevant to engineering fracture. PMID:23750055

  13. Effects of matrix structures on fracture mechanisms of austempered ductile cast iron

    Energy Technology Data Exchange (ETDEWEB)

    Doi, Shigeru; Matsufuji, Kenichi [Oita Univ. (Japan); Mitsunaga, Koichi [Kagoshima Junior Womens College (Japan); Takahara, Masao [Isuzu Motors, Kawasaki, Kanagawa (Japan)


    On the fatigue behavior of Austempered Ductile Iron (so called ADI), rotating fatigue tests in very high cycle region were performed. The S-N curve represented the double bending. This behavior is caused by the high cycle (>10{sup 7} cycles) fracture, and called the complex three region fractures. The main reason is the work hardening in the surface layer. Therefore, it was removed by electropolishing the surface layer with work hardening. The S-N curve did not show the double bending mentioned above. The fatigue strength with bainitic structure of electropolished ADI was higher than those of mother pearlitic structure.

  14. Fracture mechanics and statistical modeling of ternary blends of polylactide/ethylene-acrylate copolymer /wood-flour composites (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

  15. Development of a new code to solve hydro-mechanical coupling, shear failure and tensile failure due to hydraulic fracturing operations. (United States)

    María Gómez Castro, Berta; De Simone, Silvia; Carrera, Jesús


    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.

  16. The mechanics and physics of fracturing: application to thermal aspects of crack propagation and to fracking. (United States)

    Cherepanov, Genady P


    By way of introduction, the general invariant integral (GI) based on the energy conservation law is presented, with mention of cosmic, gravitational, mass, elastic, thermal and electromagnetic energy of matter application to demonstrate the approach, including Coulomb's Law generalized for moving electric charges, Newton's Law generalized for coupled gravitational/cosmic field, the new Archimedes' Law accounting for gravitational and surface energy, and others. Then using this approach the temperature track behind a moving crack is found, and the coupling of elastic and thermal energies is set up in fracturing. For porous materials saturated with a fluid or gas, the notion of binary continuum is used to introduce the corresponding GIs. As applied to the horizontal drilling and fracturing of boreholes, the field of pressure and flow rate as well as the fluid output from both a horizontal borehole and a fracture are derived in the fluid extraction regime. The theory of fracking in shale gas reservoirs is suggested for three basic regimes of the drill mud permeation, with calculating the shape and volume of the local region of the multiply fractured rock in terms of the pressures of rock, drill mud and shale gas.

  17. Effect of orientation on the in vitro fracture toughness ofdentin: The role of toughening mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Nalla, R.K.; Kinney, J.H.; Ritchie, R.O.


    A micro-mechanistic understanding of bone fracture thatencompasses how cracks interact with the underlying microstructure anddefines their local failure mode is lacking, despite extensive research nthe response of bone to a variety of factors like aging, loading, and/ordisease.

  18. Mechanical Comparison of Headless Screw Fixation and Locking Plate Fixation for Talar Neck Fractures. (United States)

    Karakasli, Ahmet; Hapa, Onur; Erduran, Mehmet; Dincer, Cemal; Cecen, Berivan; Havitcioglu, Hasan


    For talar neck fractures, open reduction and internal fixation have been thought to facilitate revascularization and prevent osteonecrosis. Newer screw systems allow for placement of cannulated headless screws, which provide compression by virtue of a variable pitch thread. The present study compared the biomechanical fixation strength of cannulated headless variable-pitch screw fixation and locking plate fixation. A reproducible talar neck fracture was created in 14 fresh cadaver talar necks. Talar head fixation was then performed using 2 cannulated headless variable-pitch 4-mm/5-mm diameter (4/5) screws (Acutrak; Acumed, Hillsboro, OR) and locking plate fixation. Headless variable-pitch screw fixation had lower failure displacement than did locking plate fixation. No statistically significant differences were found in failure stiffness, yield stiffness (p = .655), yield load (p = .142), or ultimate load between the 2 fixation techniques. Cannulated headless variable-pitch screw fixation resulted in better failure displacement than locking plate fixation in a cadaveric talus model and could be considered a viable option for talus fracture fixation. Headless, fully threaded, variable-pitch screw fixation has inherent advantages compared with locking plate fixation, because it might cause less damage to the articular surface and can compress the fracture for improved reduction. Additionally, plate fixation can increase the risk of avascular necrosis owing to the wider incision and dissection of soft tissues.

  19. Interaction of age and mechanical stability on bone defect healing: an early transcriptional analysis of fracture hematoma in rat.

    Directory of Open Access Journals (Sweden)

    Andrea Ode

    Full Text Available Among other stressors, age and mechanical constraints significantly influence regeneration cascades in bone healing. Here, our aim was to identify genes and, through their functional annotation, related biological processes that are influenced by an interaction between the effects of mechanical fixation stability and age. Therefore, at day three post-osteotomy, chip-based whole-genome gene expression analyses of fracture hematoma tissue were performed for four groups of Sprague-Dawley rats with a 1.5-mm osteotomy gap in the femora with varying age (12 vs. 52 weeks - biologically challenging and external fixator stiffness (mechanically challenging. From 31099 analysed genes, 1103 genes were differentially expressed between the six possible combinations of the four groups and from those 144 genes were identified as statistically significantly influenced by the interaction between age and fixation stability. Functional annotation of these differentially expressed genes revealed an association with extracellular space, cell migration or vasculature development. The chip-based whole-genome gene expression data was validated by q-RT-PCR at days three and seven post-osteotomy for MMP-9 and MMP-13, members of the mechanosensitive matrix metalloproteinase family and key players in cell migration and angiogenesis. Furthermore, we observed an interaction of age and mechanical stimuli in vitro on cell migration of mesenchymal stromal cells. These cells are a subpopulation of the fracture hematoma and are known to be key players in bone regeneration. In summary, these data correspond to and might explain our previously described biomechanical healing outcome after six weeks in response to fixation stiffness variation. In conclusion, our data highlight the importance of analysing the influence of risk factors of fracture healing (e.g. advanced age, suboptimal fixator stability in combination rather than alone.

  20. Micromechanics, fracture mechanics and gas permeability of composite laminates for cryogenic storage systems (United States)

    Choi, Sukjoo

    A micromechanics method is developed to investigate microcrack propagation in a liquid hydrogen composite tank at cryogenic temperature. The unit cell is modeled using square and hexagonal shapes depends on fiber and matrix layout from microscopic images of composite laminates. Periodic boundary conditions are applied to the unit cell. The temperature dependent properties are taken into account in the analysis. The laminate properties estimated by the micromechanics method are compared with empirical solutions using constituent properties. The micro stresses in the fiber and matrix phases based on boundary conditions in laminate level are calculated to predict the formation of microcracks in the matrix. The method is applied to an actual liquid hydrogen storage system. The analysis predicts micro stresses in the matrix phase are large enough to cause microcracks in the composite. Stress singularity of a transverse crack normal to a ply-interface is investigated to predict the fracture behavior at cryogenic conditions using analytical and finite element analysis. When a transverse crack touches a ply-interface of a composite layer with same fiber orientation, the stress singularity is equal to ½. When the transverse crack propagates to a stiffer layer normal to a ply-direction, the singularity becomes less than ½ and vice versa. Finite element analysis is performed to evaluate fracture toughness of a laminated beam subjected to the fracture load measured by the fracture experiment at room and cryogenic temperatures. As results, the fracture load at cryogenic temperature is significantly lower than that at room temperature. However, when thermal stresses are taken into consideration, for both cases of room and cryogenic temperatures, the variation of fracture toughness becomes insignificant. The result indicates fracture toughness is a characteristic property which is independent to temperature changes. The experimental analysis is performed to investigate the

  1. Evolution of limestone fracture permeability under coupled thermal, hydrologi-cal, mechanical, and chemical conditions

    Institute of Scientific and Technical Information of China (English)

    李凤滨; 盛金昌; 詹美礼; 徐力猛; 吴强; 贾春兰


    The effect of temperature on the rock fracture permeability is a very important factor in the prediction of the permeability of enhanced geothermal systems and in reservoir engineering. In this study, the flow-through experiments were conducted on a single limestone fracture at different temperatures of 25oC, 40oC and 60oC, and with differential pressures of 0.3 MPa and 0.4 MPa. The experimental results suggest a complex temporal evolution of the fracture aperture. The aperture increases considerably with increasing temperature and reduces gradually to a steady value at a stable temperature. The results of three short-term experiments (QT-1, QT-2, QT-3) indicate an exponential relationship between the permeability and the temperature change ratio (DT/T ) , which provides a further evidence that the rising temperature increases the aperture. It is shown that the changing temperature has its influence on two possible accounts:the chemical dissolution and the pressure dissolution. These two processes have opposite impacts on the fracture permeability. The chemical dissolution increases the permeability with a rising temperature while the pressure disso-lution reduces the permeability with a stable temperature. These make a very complex picture of the permeability evolution. Our results show that the fracture permeability reduces 39.2%when the temperature increases by 15oC (during the 25oC-40 C interval) and 42.6% when the temperature increases by 20oC (during the 40oC-60oC interval). It can be concluded that the permeability decreases to a greater extent for larger increases in temperature.

  2. Dynamic Mechanical Properties and Fracture Surface Morphologies of Core-Shell Rubber (CSR) Toughened Epoxy at Liquid Nitrogen (Ln2) Temperatures (United States)

    Wang, J.; Magee, D.; Schneider, J. A.


    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.

  3. Influence of notch shape on deformation mechanisms and energy parameters of fracture of 12Cr1MoV steel under impact loading (United States)

    Panin, S. V.; Vlasov, I. V.; Maruschak, P. O.; Moiseenko, D. D.; Berto, F.; Vinogradov, A.; Bischak, R. T.


    Impact loading curves and fracture energy of the notched 12Cr1MoV ductile steel specimens are analyzed. The qualitative description and quantitative parameters are obtained for major stages of ductile and brittle fracture depending on the shape of the notch and the stress stiffness ahead. It is shown that a zone with enhanced plasticity is formed in the vicinity of V-, U-, and I-shaped notches at 20°C testing temperature, giving rise to ductile fracture. The stress stiffness at the notch tip increased with testing temperature reduced to -40°C. Using the quantitative description of fracture surfaces, a physical-mechanical scheme of the specimen fracture was suggested for the case of enhanced and localized (constrained) plasticity near the stress concentrator tip.

  4. Elastic-Plastic Fracture Mechanics Analysis of Critical Flaw Size in ARES I-X Flange-to-Skin Welds (United States)

    Chell, G. Graham; Hudak, Stephen J., Jr.


    NASA's Ares 1 Upper Stage Simulator (USS) is being fabricated from welded A516 steel. In order to insure the structural integrity of these welds it is of interest to calculate the critical initial flaw size (CIFS) to establish rational inspection requirements. The CIFS is in turn dependent on the critical final flaw size (CFS), as well as fatigue flaw growth resulting from transportation, handling and service-induced loading. These calculations were made using linear elastic fracture mechanics (LEFM), which are thought to be conservative because they are based on a lower bound, so called elastic, fracture toughness determined from tests that displayed significant plasticity. Nevertheless, there was still concern that the yield magnitude stresses generated in the flange-to-skin weld by the combination of axial stresses due to axial forces, fit-up stresses, and weld residual stresses, could give rise to significant flaw-tip plasticity, which might render the LEFM results to be non-conservative. The objective of the present study was to employ Elastic Plastic Fracture Mechanics (EPFM) to determine CFS values, and then compare these values to CFS values evaluated using LEFM. CFS values were calculated for twelve cases involving surface and embedded flaws, EPFM analyses with and without plastic shakedown of the stresses, LEFM analyses, and various welding residual stress distributions. For the cases examined, the computed CFS values based on elastic analyses were the smallest in all instances where the failures were predicted to be controlled by the fracture toughness. However, in certain cases, the CFS values predicted by the elastic-plastic analyses were smaller than those predicted by the elastic analyses; in these cases the failure criteria were determined by a breakdown in stress intensity factor validity limits for deep flaws (a greater than 0.90t), rather than by the fracture toughness. Plastic relaxation of stresses accompanying shakedown always increases the

  5. A Thermo-Hydro-Mechanical modeling of fracture opening and closing due heat extraction from geothermal reservoir (United States)

    Nand Pandey, Sachchida; Chaudhuri, Abhijit; Kelkar, Sharad


    Increasing the carbon dioxide concentration in atmosphere become challenging task for the scientific community. To achieve the sustainable growth with minimum pollution in atmosphere requires the development of low carbon technology or switch towards renewable energy. Geothermal energy is one of the promising source of clean energy. Geothermal energy is also considered a sustainable, reliable and least-expensive. This study presents a numerical modeling of subsurface heat extraction from the reservoir. The combine flow, heat transfer and geo-mechanical problem are modeled using FEHM code, which was validated against existing field data, numerical code and commercial software. In FEHM the flow and heat transfer in reservoir are solved by control volume method while for mechanical deformation finite element technique is used. The 3-D computational domain (230m × 200m × 1000m) has single horizontal fault/fracture, which is located at 800 m depth from the ground surface. The fracture connects the injection and production wells. The distance between the wells is 100 m. A geothermal gradient 0.08 °C/m is considered. The temperatures at top and bottom boundaries are held fixed as 20 and 100 °C respectively. The zero heat and mass flux boundary conditions are imposed to all vertical side boundaries of the domain. The simulation results for 100 days suggests that the computational domain is sufficiently large as the temperature along the vertical boundaries are not affected by cold-water injection. To model the thermo-poro-elastic deformation, zero all three components of displacement are specified as zero at the bottom. The zero stress condition along all other boundaries allows the boundaries to move freely. The temperature and pressure dependent fluid properties such as density and viscosity with single phase flow in saturated medium is considered. We performed a series of thermo-hydro-mechanical (THM) simulations to show aperture alteration due to cold

  6. The effect of coating/substrate interface curvature on fracture of Si-Al-N coatings subjected to mechanical loading (United States)

    Shugurov, Artur


    The effect of curvature of the film/substrate interface on the fracture mechanisms of Si-Al-N coatings on Cu substrates subjected to uniaxial tension and alternating bending is studied. Local interface curvature due to substrate surface roughening caused by its plastic deformation in the course of the uniaxial tension is shown to have a profound effect on their delamination and buckling. Interface curvature induced by specimen bending promotes kinking of through-the-coating cracks at the interface that is followed by delamination and spalling of the coatings.

  7. Quantum-based Atomistic Simulation of Transition Metals

    Energy Technology Data Exchange (ETDEWEB)

    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


    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.

  8. Effective Transparency: A Test of Atomistic Laser-Cluster Models

    CERN Document Server

    Pandit, Rishi; Teague, Thomas; Hartwick, Zachary; Bigaouette, Nicolas; Ramunno, Lora; Ackad, Edward


    The effective transparency of rare-gas clusters, post-interaction with an extreme ultraviolet (XUV) pump pulse, is studied by using an atomistic hybrid quantum-classical molecular dynamics model. We find there is an intensity range in which an XUV probe pulse has no lasting effect on the average charge state of a cluster after being saturated by an XUV pump pulse: the cluster is effectively transparent to the probe pulse. The range of this phenomena increases with the size of the cluster and thus provides an excellent candidate for an experimental test of the effective transparency effect. We present predictions for the clusters at the peak of the laser pulse as well as the experimental time-of-flight signal expected along with trends which can be compared with. Significant deviations from these predictions would provide evidence for enhanced photoionization mechanism(s).

  9. Fractures of modern high nitrogen stainless steel cemented stems: cause, mechanism, and avoidance in 14 cases. (United States)

    Yates, Piers J; Quraishi, Nasir A; Kop, Allan; Howie, Donald W; Marx, Clare; Swarts, Eric


    We present 14 cases of fracture of modern, high-nitrogen, stainless steel stems. Our clinical and radiological data suggest that heavy patients with small stems and poor proximal support are at risk for fracturing their implants. "Champagne-glass" canals can lead to the use of smaller stems often placed in varus, which can lead to cantilever bending and fatigue failure in the distal half of the stem. Metallurgical assessment of the retrieved high-nitrogen, stainless steel stems reveals microstructural inconsistencies that may contribute to their failure. Based on our findings, careful consideration and attention to technique is required when using stainless steel stems in patients with high body mass index or high weight. Technique is particularly important in femurs with champagne-glass canals.

  10. Influence of Constituent Materials on the Impact Toughness and Fracture Mechanisms of Hot-Roll-Bonded Aluminum Multilayer Laminates (United States)

    Cepeda-Jiménez, C. M.; Hidalgo, P.; Pozuelo, M.; Ruano, O. A.; Carreño, F.


    Two aluminum multilayer laminates have been processed by hot roll bonding following similar processing paths. The first one is constituted by alternated Al 2024 and Al 1050 layers (ALH19) and the second one by alternated Al 7075 and Al 1050 layers (ADH19). The influence of the constituent materials in the multilayer laminates both during the processing at high temperature and during the subsequent mechanical characterization has been analyzed. The mechanical behavior of the as-received materials at the processing conditions has been characterized by hot torsion. Multilayer laminates have been tested at room temperature under impact Charpy tests, three-point bend tests, and shear tests on the interfaces. The relative toughness increase compared to the constituent materials was much higher for the ADH19 laminate based on the high-strength Al 7075 alloy than for the ALH19 laminate. This is attributed to the different fracture mechanism.

  11. Fatigue Properties and Fracture Mechanism of Aluminum Alloy with Orifice Chamfer and Pre-corrosion Damage

    Directory of Open Access Journals (Sweden)

    ZHOU Song


    Full Text Available Fatigue fracture often occurs because of the corrosion damage to aerospace structural aluminum alloy with holes. Fatigue tests of 7075 aluminum alloy of both unchamfered and chamfered double-hole specimens under uncorrosion and 24h pre-corrosion were carried out. The influence of both pre-corrosion damage and orifice chamferer on fatigue properties and the differences of fatigue fracture characteristics were analyzed. The results show that the effect on fatigue life of pre-corrosion damage is significant. Median fatigue lives of both unchamfered and chamfered double-hole specimens under 24h pre-corrosion decrease about 31.74% and 26.92% compared with uncorrosion specimens. The orifice chamferer have a certain effect on fatigue life of both uncorrosion and 24h pre-corrosion specimens, with median fatigue lives decreased about 28.02% and 15.36% compared with unchamfered specimens, the main reason is due to the stress concentration after orifice chamfered, on the other hand, cutting marks lead to pre-damage during the orifice chamfering process which will result in an increase of the fatigue crack initiation sites and the fracture probability.

  12. Fracture mechanics characterisation of the WWER-440 reactor pressure vessel beltline welding seam

    Energy Technology Data Exchange (ETDEWEB)

    Viehrig, Hans-Werner [Forschungszentrum Dresden-Rossendorf, P.O. Box 510119, 01314 Dresden (Germany)], E-mail:; Schuhknecht, Jan [Forschungszentrum Dresden-Rossendorf, P.O. Box 510119, 01314 Dresden (Germany)


    The master curve (MC) approach as standardised in the ASTM Standard Test Method E1921 was applied to weld metal of the reactor pressure vessel (RPV) beltline welding seam of Greifswald unit 8 RPV. Charpy size SE(B) specimens from 13 locations equally spaced over the thickness of the welding seam were tested. The orientation of the specimens within the welding seam is TL and TS according to ASTM E399. The fracture toughness values measured on the SE(B) specimens with both orientations follow the course of the master curve. Nearly all values lie within the fracture toughness curves for 2% and 98% fracture probability. There is a strong variation of the reference temperature T{sub 0} through the thickness of the welding seam, which can be explained by microstructural differences. The scatter is more pronounced for the TS SE(B) specimens. It can be shown that specimens with TL and TS orientation in the welding seam have a differentiating and integrating behaviour, respectively.

  13. Proppant backproduction during hydraulic fracturing -- A new failure mechanism for resin-coated proppants

    Energy Technology Data Exchange (ETDEWEB)

    Vreeburg, R.J.; Roodhart, L.P.; Davies, D.R.; Penny, G.S. (STIM-LAB Inc., Duncan, OK (United States))


    Backproduction of proppant from hydraulically fractured wells, particularly those completed in the northern European Rotliegend formation, is a major operational problem, necessitating costly and manpower-intensive surface-handling procedures. Further, the development of unmanned platform operations offshore, required in today's economic climate, is impossible as long as this problem remains unsolved. The most cost-effective potential solution to this problem is provided by curable resin-coated proppant (RCP), which consolidates in the fracture. Early field trials with RCP's, however, were not completely effective in stopping the backproduction of proppant. Typically, some 10% of the total volume of RCP placed in the fracture was backproduced. The authors performed a laboratory study to help clarify the effect of curing temperature, water production rate, proppant size, and stress cycling on the integrity of RCP packs. The experiments confirmed the field experience that stress cycling has a dramatic effect on proppant backproduction of commercial RCP packs. The number of applied stress cycles (i.e., the number of times the well is shut in) and the initial RCP pack strength appear to be the dominant factors that govern proppant backproduction. Dedicated experiments are therefore required to evaluate the use of RCP's to eliminate proppant backproduction for a particular field application.

  14. Viscoelastic Fracturing As a Migration and Expulsion Mechanism for Hydrocarbons in Shales: Analog Experiments (United States)

    Van Damme, H.


    We report the results of simple laboratory experiments aimed at mimicking the generation, migration, and expulsion process of oil or gas from soft clayey sediments, triggered by thermal decomposition of organic matter. In previously published work, we showed that the injection of fluids into a soft sediment layer confined within a quasi-2D Hele-Shaw cell led to the transition from a viscous fingering invasion regime to a viscoelastic fracturing regime. The transition is controlled by the ratio of the characteristic times for the invasion process and for the structural relaxation in the sediment, respectively (Deborah number). Here we show that expulsion is a discontinuous quasi-periodic process, driven by the elastic energy stored in the embedding layers. We report also about two sets of experiments aimed at understanding the conditions in which fluid generation from multiple sources can generate a highly connected network of fractures for expulsion. In a first set of experiments, a Hele-Shaw cell with multiple injection points and multiple outlets was used. It is shown that, due to attractive elastic interactions between cracks, a network spontaneously forms as soon as invasion proceeds in the viscoelastic regime. On the contrary, no network of migration paths is forming in the viscous fingering regime, due to the effective repulsion of the fluid channels. In the second set of analog experiments, we used a thermostated mini-Hele-Shaw cell, the gap of which was filled with a strong clay mud in which microcrystals of reactive organic matter (azoisobutyronitrile, AIBN) are dispersed, or with a mud prepared with clay particles on which the organic matter was pre-impregnated. AIBN decomposes around 70°C, releasing nitrogen gas. It was again observed that, depending on the viscoelastic properties of the clay matrix, gas evolution occurs either by formation and coalescence of bubbles, or by formation of a percolating network of fractures. The length of the fracture

  15. Fracture mechanics characteristics and associated safety margins for integrity assessment; Bruchmechanische Kennwerte und zugeordnete Sicherheitsfaktoren bei Integritaetsanalysen

    Energy Technology Data Exchange (ETDEWEB)

    Roos, E.; Schuler, X.; Stumpfrock, L.; Silcher, H. [Stuttgart Univ. (DE). Materialpruefungsanstalt (MPA)


    Within the integrity assessment of components and structural members of plants safety margins have to be applied, whose magnitude depend on several factors. Important factors influencing the magnitude of the safety margins are as for instance: Material behaviour (ductile / brittle behaviour), the event to be considered (local deformation / fracture), possible consequences of failure (human health, environmental damage, economic consequences) and many others. One important factor also is the fact, how precisely and reliably the appropriate material characteristics can be determined and how precisely and reliably the components behaviour can be predicted and assessed by means of this material characteristic. In contemporary safety assessment procedures by means of fracture mechanics evaluation tools (e.g. [1]) a concept of partial safety margins is proposed for application. The basic idea with this procedure is that only those sources of uncertainty have to be considered, which are relevant or may be relevant for the structure to be considered. For this purpose each source of possible uncertainty has to be quantified individually, finally only those singular safety margins are superimposed to a total safety margin which are relevant. The more the uncertainties have to be taken into account, the total safety margin to be applied, consequently will be larger. If some sources of uncertainty can be eliminated totally or can be minimized (for instance by a more reliable calculational procedure of the component loading or by more precise material characteristics), the total safety margin can be reduced. In this contribution the different procedures for the definition of safety margins within the integrity assessment by means of fracture mechanics procedures will be discussed. (orig.)

  16. A critical review of fracture mechanics as a tool for multiaxial fatigue life prediction of plastics1

    Directory of Open Access Journals (Sweden)

    Anders Winkler


    Full Text Available Plastics belong to the most complex and probably least understood engineering materials of today. Combining the best aspects of design, mechanical properties and manufacturing, the structural integrity of plastics is on par with aluminium and can in some cases even rival those of steels. One of the most important aspects of plastics is the ability to tailor-drive their material properties for a specific purpose or towards a specific strength value. The morphology of plastics is directly dependent on the manufacturing process, e.g. injection moulding, extruding and casting. Plastics contain multiple phases (crystalline, amorphous, oriented, and are in no sense at all isotropic, although integrally deduced mechanical properties may appear to claim the opposite. As such, it becomes obvious that attempting to analyse such materials using conventional material models and explanations of mechanics is an inherently complex task. The static situation alone requires concepts such as creep, relaxation and rate effects to be incorporated on a numerical level. If the load situation changes, such that cyclic loading is acting on the continuum, with the morphology taken into account (without considering the actual geometrical shape, then the result is that of a complex multiaxial fatigue case. Classical theories used for treating fatigue such as SN or eN analysis have proven much less successful for plastics than they have for metals. Fatigue crack propagation using fracture mechanics has seen some success in application, although appropriate crack initiation criteria still need to be established. The physical facts are more than intriguing. For injection moulded parts (being the most common manufacturing process in place, fracture is in most cases seen to initiate from inside the material, unless the surface has been mechanically compromised. This appears to hold true regardless of the load case. In this review, we have scrutinised physically useful methods

  17. Assessment of strength-limiting flaws in ceramic heat exchanger components INEL support: Fracture mechanics and nondestructive evaluation technology. Final report, June 1, 1986--May 31, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Lloyd, W.R.; Reuter, W.G.


    An examination of a siliconized SiC material, CS101K, has been performed to determine if linear fracture mechanics concepts can be used to characterize and predict the behavior of this material. Phase II of this project showed that a value that appeared to represent the true fracture toughness could be measured using small specimens with a machined notch, if the notch root radius was less than 75 {mu}m. Methods to produce sharply cracked specimens were then investigated to verify this hypothesis. A new technique, called the {open_quotes}beam support{close_quotes} precracking method, was subsequently developed and used to make sharply cracked SE(B) specimens. Tests of these specimens showed a slightly rising R-curve-type of behavior, with elevated values of plane strain fracture toughness. Interference of the crack surfaces in the precrack wake was hypothesized as the most likely cause of these phenomena. Subsequent testing with various precrack lengths provided preliminary verification of the hypothesis. Test results show that, for fracture mechanics-based design and assessment, adequate values of fracture toughness can be obtained from EDM-notched specimens, instead of the more costly precracked specimens. These results imply that, for the Si-SiC material tested, caution is warranted when using any of the methods of assessing fracture toughness that use a sharp precrack. It is also reasoned that these results may generally be more applicable to the coarser-grained structural ceramics that exhibit a rougher fracture surface. Based on results of testing EDM-notched bend specimens in 1250{degrees}C air, no degradation of material properties were observed for exposures, under applied stress, up to 900 h. Instead, some increase in fracture toughness was measured for these conditions. These same tests indicated that the threshold stress intensity factor for stress corrosion cracking (static fatigue) in the hot air environment was the same as the fracture toughness.

  18. Probabilistic Fracture Mechanics Analysis of Boling Water Reactor Vessel for Cool-Down and Low Temperature Over-Pressurization Transients

    Directory of Open Access Journals (Sweden)

    Jeong Soon Park


    Full Text Available The failure probabilities of the reactor pressure vessel (RPV for low temperature over-pressurization (LTOP and cool-down transients are calculated in this study. For the cool-down transient, a pressure–temperature limit curve is generated in accordance with Section XI, Appendix G of the American Society of Mechanical Engineers (ASME code, from which safety margin factors are deliberately removed for the probabilistic fracture mechanics analysis. Then, sensitivity analyses are conducted to understand the effects of some input parameters. For the LTOP transient, the failure of the RPV mostly occurs during the period of the abrupt pressure rise. For the cool-down transient, the decrease of the fracture toughness with temperature and time plays a main role in RPV failure at the end of the cool-down process. As expected, the failure probability increases with increasing fluence, Cu and Ni contents, and initial reference temperature-nil ductility transition (RTNDT. The effect of warm prestressing on the vessel failure probability for LTOP is not significant because most of the failures happen before the stress intensity factor reaches the peak value while its effect reduces the failure probability by more than one order of magnitude for the cool-down transient.

  19. Fracture mechanics analysis on Smart-Cut(R) technology. Part 1: Effects of stiffening wafer and defect interaction

    Institute of Scientific and Technical Information of China (English)

    Bin Gu; Hongyuan Liu; YiuWing Mai; Xi Qiao Feng; Shou Wen Yu


    In the present paper, continuum fracture mecha-nics is used to analyze the Smart-Cut process, a recently established ion cut technology which enables highly efficient fabrication of various silicon-on-insulator (SO1) wafers of high uniformity in thickness. Using integral transform and Cauchy singular integral equation methods, the mode-Ⅰ and mode-II stress intensity factors, energy release rate, and crack opening displacements are derived in order to examine seve-ral important fracture mechanisms involved in the Smart-Cut process. The effects of defect interaction and stiffening wafer on defect growth are investigated. The numerical results indi-cate that a stiffener/handle wafer can effectively prevent the donor wafer from blistering and exfoliation, but it slows down the defect growth by decreasing the magnitudes of SIF's. Defect interaction also plays an important role in the splitting process of SOI wafers, but its contribution depends strongly on the size, interval and internal pressure of defects. Finally, an analytical formula is derived to estimate the implantation dose required for splitting a SOI wafer.

  20. High-Temperature Mechanical Behavior and Fracture Analysis of a Low-Carbon Steel Related to Cracking (United States)

    Santillana, Begoña; Boom, Rob; Eskin, Dmitry; Mizukami, Hideo; Hanao, Masahito; Kawamoto, Masayuki


    Cracking in continuously cast steel slabs has been one of the main problems in casting for decades. In recent years, the use of computational models has led to a significant improvement in caster performance and product quality. However, these models require accurate thermomechanical properties as input data, which are either unreliable or nonexistent for many alloys of commercial interest. A major reason for this lack of reliable data is that high-temperature mechanical properties are difficult to measure. Several methods have been developed to assess the material strength during solidification, especially for light alloys. The tensile strength during solidification of a low carbon aluminum-killed (LCAK; obtained from Tata Steel Mainland Europe cast at the DSP plant in IJmuiden, the Netherlands) has been studied by a technique for high-temperature tensile testing, which was developed at Sumitomo Metal Industries in Japan. The experimental technique enables a sample to melt and solidify without a crucible, making possible the accurate measurement of load over a small solidification temperature range. In the current study, the tensile test results are analyzed and the characteristic zero-ductility and zero-strength temperatures are determined for this particular LCAK steel grade. The fracture surfaces are investigated following tensile testing, which provides an invaluable insight into the fracture mechanism and a better understanding with respect to the behavior of the steel during solidification. The role of minor alloying elements, like sulfur, in hot cracking susceptibility is also discussed.

  1. Atomistic insight into the minimum wear depth of Cu(111) surface



    In the present work, we investigate the minimum wear depth of single crystalline Cu(111) under single asperity friction by means of molecular dynamics simulations. The atomistic mechanisms governing the incipient plasticity are elucidated by characterizing specific defect structures and are correlated to the observed mechanical and frictional responses of the material. Furthermore, the effect of probe radius on the friction process is studied. Our simulations indicate that the formation of we...

  2. Micro-mechanical analysis of damage growth and fracture in discontinuous fiber reinforced metal matrix composites (United States)

    Goree, James G.; Richardson, David E.


    The near-crack-tip stresses in any planar coupon of arbitrary geometry subjected to mode 1 loading may be equated to those in an infinite center-cracked panel subjected to the appropriate equivalent remote biaxial stresses (ERBS). Since this process can be done for all such mode 1 coupons, attention may be focused on the behavior of the equivalent infinite cracked panel. To calculate the ERBS, the constant term in the series expansion of the crack-tip stress must be retained. It is proposed that the ERBS may be used quantitatively to explain different fracture phenomena such as crack branching.

  3. SR-1447 Fracture Mechanics Characterization of Aluminum Alloys for Marine Structural Applications (United States)


    plus en plus les alliages d’aluminium dans la construction maritime. Dans le cadre du projet SR-1447 du SSC, on a donné un contrat à la société...1447), on a donné un contrat à la société Fracture Technology Associates pour qu’elle caractérise, grâce à des expériences de mécanique de la rupture...alloys (See Annex A). Dirats Laboratories was contracted to provide the following services : 1. 3 chemical analysis (one for each alloy) 2. 18 tensile

  4. Influence of titanium diboride reinforcements on the microstructure, mechanical properties and fracture behavior of cast zinc-aluminum composites (United States)

    Dionne, Sylvie

    The objective of the present study was to examine the relationships between the microstructure, mechanical properties and failure mechanisms which control the performance of TiB2 particle reinforced Zn-8 wt.% Al (ZA-8) composites. Unreinforced ZA-8 and four composite heats with nominal particle contents of 5, 10, 20 and 30 vol.% were prepared using stir casting and permanent mold casting techniques. Tensile, compression, Charpy impact and short bar chevron-notch fracture toughness tests were conducted at room temperature. The microstructure and fracture surfaces of the specimens were characterized using optical, scanning electron, transmission electron and focused ion beam microscopy. These experimental results were compared with relevant MMC models and with published data on Zn-based composites. The TiB2/ZA-8 composites had a homogeneous distribution of particles in a matrix similar to unreinforced ZA-8. The matrix grain size decreased as the TiB2 content increased. No interfacial reaction products were detected. A good correlation was obtained between the measured composite stiffness and the values predicted using an Eshelby model. The yield strength and work hardening rate of TiB2/ZA-8 were only marginally higher than those of unreinforced ZA-8. The strength properties did not increase with the particle content as predicted by the Eshelby model. The premature activation of relaxation processes limited the extent to which particle reinforcement improved the strength of the ZA-8 matrix. Temperature-activated relaxation processes such as diffusion and dislocation motion can occur readily in ZA-8 at room temperature, which corresponds to 0.44 TM. Particle reinforcement of the ZA-8 alloy produced a degradation of the toughness which was sensitive to the loading rate. The Charpy energy of TiB 2/ZA-8 was up to 85% smaller than that of ZA-8, while the corresponding loss in fracture toughness was only 15%. The moderate fracture toughness decrease was explained by the

  5. Effects of fibre content on mechanical properties and fracture behaviour of short carbon fibre reinforced geopolymer matrix composites

    Indian Academy of Sciences (India)

    Tiesong Lin; Dechang Jia; Meirong Wang; Peigang He; Defu Liang


    Geopolymer matrix composites reinforced with different volume fractions of short carbon fibres (Cf/geopolymer composites) were prepared and the mechanical properties, fracture behaviour and microstructure of as-prepared composites were studied and correlated with fibre content. The results show that short carbon fibres have a great strengthening and toughening effect at low volume percentages of fibres (3.5 and 4.5 vol.%). With the increase of fibre content, the strengthening and toughening effect of short carbon fibres reduce, possibly due to fibre damage, formation of high shear stresses at intersect between fibres and strong interface cohesion of fibre/matrix under higher forming pressure. The property improvements are primarily based on the network structure of short carbon fibre preform and the predominant strengthening and toughening mechanisms are attributed to the apparent fibre bridging and pulling-out effect.

  6. Fracture Toughness, Mechanical Property, And Chemical Characterization Of A Critical Modification To The NASA SLS Solid Booster Internal Material System (United States)

    Pancoast, Justin; Garrett, William; Moe, Gulia


    A modified propellant-liner-insulation (PLI) bondline in the Space Launch System (SLS) solid rocket booster required characterization for flight certification. The chemical changes to the PLI bondline and the required additional processing have been correlated to mechanical responses of the materials across the bondline. Mechanical properties testing and analyses included fracture toughness, tensile, and shear tests. Chemical properties testing and analyses included Fourier transform infrared (FTIR) spectroscopy, cross-link density, high-performance liquid chromatography (HPLC), gas chromatography (GC), gel permeation chromatography (GPC), and wave dispersion X-ray fluorescence (WDXRF). The testing identified the presence of the expected new materials and found the functional bondline performance of the new PLI system was not significantly changed from the old system.

  7. Galeazzi fracture. (United States)

    Atesok, Kivanc I; Jupiter, Jesse B; Weiss, Arnold-Peter C


    Galeazzi fracture is a fracture of the radial diaphysis with disruption at the distal radioulnar joint (DRUJ). Typically, the mechanism of injury is forceful axial loading and torsion of the forearm. Diagnosis is established on radiographic evaluation. Underdiagnosis is common because disruption of the ligamentous restraints of the DRUJ may be overlooked. Nonsurgical management with anatomic reduction and immobilization in a long-arm cast has been successful in children. In adults, nonsurgical treatment typically fails because of deforming forces acting on the distal radius and DRUJ. Open reduction and internal fixation is the preferred surgical option. Anatomic reduction and rigid fixation should be followed by intraoperative assessment of the DRUJ. Further intraoperative interventions are based on the reducibility and postreduction stability of the DRUJ. Misdiagnosis or inadequate management of Galeazzi fracture may result in disabling complications, such as DRUJ instability, malunion, limited forearm range of motion, chronic wrist pain, and osteoarthritis.

  8. Atomistic Hydrodynamics and the Dynamical Hydrophobic Effect in Porous Graphene. (United States)

    Strong, Steven E; Eaves, Joel D


    Mirroring their role in electrical and optical physics, two-dimensional crystals are emerging as novel platforms for fluid separations and water desalination, which are hydrodynamic processes that occur in nanoscale environments. For numerical simulation to play a predictive and descriptive role, one must have theoretically sound methods that span orders of magnitude in physical scales, from the atomistic motions of particles inside the channels to the large-scale hydrodynamic gradients that drive transport. Here, we use constraint dynamics to derive a nonequilibrium molecular dynamics method for simulating steady-state mass flow of a fluid moving through the nanoscopic spaces of a porous solid. After validating our method on a model system, we use it to study the hydrophobic effect of water moving through pores of electrically doped single-layer graphene. The trend in permeability that we calculate does not follow the hydrophobicity of the membrane but is instead governed by a crossover between two competing molecular transport mechanisms.

  9. Nanoscale finite element models for vibrations of single-walled carbon nanotubes:atomistic versus continuum

    Institute of Scientific and Technical Information of China (English)



    By the atomistic and continuum finite element models, the free vibration behavior of single-walled carbon nanotubes (SWCNTs) is studied. In the atomistic finite element model, the bonds and atoms are modeled by the beam and point mass elements, respectively. The molecular mechanics is linked to structural mechanics to determine the elastic properties of the mentioned beam elements. In the continuum finite element approach, by neglecting the discrete nature of the atomic structure of the nanotubes, they are modeled with shell elements. By both models, the natural frequencies of SWCNTs are computed, and the effects of the geometrical parameters, the atomic structure, and the boundary conditions are investigated. The accuracy of the utilized methods is verified in comparison with molecular dynamic simulations. The molecular structural model leads to more reliable results, especially for lower aspect ratios. The present analysis provides valuable information about application of continuum models in the investigation of the mechanical behaviors of nanotubes.

  10. Multiscale Modeling of Carbon/Phenolic Composite Thermal Protection Materials: Atomistic to Effective Properties (United States)

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


    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.

  11. Proceedings of the Joint IAEA/CSNI Specialists` Meeting on Fracture Mechanics Verification by Large-Scale Testing held at Pollard Auditorium, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    Pugh, C.E.; Bass, B.R.; Keeney, J.A. [comps.] [Oak Ridge National Lab., TN (United States)


    This report contains 40 papers that were presented at the Joint IAEA/CSNI Specialists` Meeting Fracture Mechanics Verification by Large-Scale Testing held at the Pollard Auditorium, Oak Ridge, Tennessee, during the week of October 26--29, 1992. The papers are printed in the order of their presentation in each session and describe recent large-scale fracture (brittle and/or ductile) experiments, analyses of these experiments, and comparisons between predictions and experimental results. The goal of the meeting was to allow international experts to examine the fracture behavior of various materials and structures under conditions relevant to nuclear reactor components and operating environments. The emphasis was on the ability of various fracture models and analysis methods to predict the wide range of experimental data now available. The individual papers have been cataloged separately.

  12. The effects of Mg microaddition on the mechanical behavior and fracture mechanism of MAR-M247 superalloy at elevated temperatures (United States)

    Bor, H. Y.; Chao, C. G.; Ma, C. Y.


    The effects of microadditions of Mg on the mechanical behavior and fracture mechanism of MAR-M247 superalloy were investigated in this study. The microstructural observations and image analysis showed that a Mg microaddition ranging from 30 to 80 ppm significantly changed the primary MC carbide characteristics and inhibited the scriptlike carbide formation. After a 80 ppm Mg addition, the elongation measured at 1172 K increased over 3 times found that for the Mg-free MAR-M247 superalloy. The creep life and rupture elongation of the MAR-M247 superalloy with 80 ppm Mg was also improved up to 3 to 5 times that of the alloy without Mg during a 1033 K/724 MPa creep test. The fracture analyses demonstrated that cracks were mainly initiated and propagated at the interface of scriptlike MC carbides in the Mg-free MAR-M247 superalloy at elevated temperatures. The Mg microaddition effectively refined and spheroidized these coarse carbides so that a change in the crack initiation occurred from the carbide/matrix interface to that along the γ-γ' eutectic. Interfacial analysis using Auger electron spectroscopy illustrated that Mg segregated to the interface of the MC carbide/matrix, causing a change in the morphology and interfacial behavior of the carbides. This improvement contributed to a prolonged rupture life and upgraded the moderate temperature ductility of the MAR-M247 superalloy.

  13. 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)


    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.)

  14. Cleavage Fracture Modeling of Pressure Vessels under Transient Thermo-Mechanical Loading

    Energy Technology Data Exchange (ETDEWEB)

    Qian, Xudong [National University of Singapore; Dodds, Robert [University of Illinois; Yin, Shengjun [ORNL; Bass, Bennett Richard [ORNL


    The next generation of fracture assessment procedures for nuclear reactor pressure vessels (RPVs) will combine nonlinear analyses of crack-front response with stochastic treatments of crack size, shape, orientation, location, material properties and thermal-pressure transients. The projected computational demands needed to support stochastic approaches with detailed 3-D, nonlinear stress analyses of vessels containing defects appear well beyond current and near-term capabilities. In the interim, 2-D models become appealing to approximate certain classes of critical flaws in RPVs, and have computational demands within reach for stochastic frameworks. The present work focuses on the capability of 2-D models to provide values for the Weibull stress fracture parameter with accuracy comparable to those from very detailed 3-D models. Weibull stress approaches provide one route to connect nonlinear vessel response with fracture toughness values measured using small laboratory specimens. The embedded axial flaw located in the RPV wall near the cladding-vessel interface emerges from current linear-elastic, stochastic investigations as a critical contributor to the conditional probability of initiation. Three different types of 2-D models reflecting this configuration are subjected to a thermal-pressure transient characteristic of a critical pressurized thermal shock event. The plane-strain, 2-D models include: the modified boundary layer (MBL) model, the middle tension (M(T)) model, and the 2-D RPV model. The 2-D MBL model provides a high quality estimate for the Weibull stress but only in crack-front regions with a positive T-stress. For crack-front locations with low constraint (T-stress < 0), the M(T) specimen provides very accurate Weibull stress values but only for pressure load acting alone on the RPV. For RPVs under a combined thermal-pressure transient, Weibull stresses computed from the 2-D RPV model demonstrate close agreement with those computed from the

  15. Cleavage Fracture Modeling of Pressure Vessels Under Transient Thermo-Mechanical Loading

    Energy Technology Data Exchange (ETDEWEB)

    Qian, Xudong [National University of Singapore; Dodds, Robert [University of Illinois; Yin, Shengjun [ORNL; Bass, Bennett Richard [ORNL


    Abstract The next generation of fracture assessment procedures for nuclear reactor pressure vessels (RPVs) will combine nonlinear analyses of crack-front response with stochastic treatments of crack size, shape, orientation, location, material properties and thermal-pressure transients. The projected computational demands needed to support stochastic approaches with detailed 3-D, nonlinear stress analyses of vessels containing defects appear well beyond current and near-term capabilities. In the interim, 2-D models be-come appealing to approximate certain classes of critical flaws in RPVs, and have computational demands within reach for stochastic frameworks. The present work focuses on the capability of 2-D models to provide values for the Weibull stress fracture parameter with accuracy comparable to those from very detailed 3-D models. Weibull stress approaches provide one route to connect nonlinear vessel response with fracture toughness values measured using small laboratory specimens. The embedded axial flaw located in the RPV wall near the cladding-vessel interface emerges from current linear-elastic, stochastic investigations as a critical contributor to the conditional probability of initiation. Three different types of 2-D models reflecting this configuration are subjected to a thermal-pressure transient characteristic of a critical pressurized thermal shock event. The plane-strain, 2-D models include: the modified boundary layer (MBL) model, the middle tension (M(T)) model, and the 2-D RPV model. The 2-D MBL model provides a high quality estimate for the Weibull stress but only in crack-front regions with a positive T-stress. For crack-front locations with low constraint (T-stress < 0), the M(T) specimen provides very accurate Weibull stress values but only for pressure load acting alone on the RPV. For RPVs under a combined thermal-pressure transient, Weibull stresses computed from the 2-D RPV model demonstrate close agreement with those computed from

  16. A fracture mechanics analysis of bonded repaired skin/stiffener structures with inclined central crack

    Energy Technology Data Exchange (ETDEWEB)

    Chung, Ki Hyun; Yang, Won Ho; Kim, Cheol; Heo, Sung Pil [Sungkyunkwan Univ., Seoul (Korea, Republic of); Ko, Myung Hoon [Daelim College, Anyang (Korea, Republic of)


    Composite patch repair of cracked aircraft structures has been accepted as one of improving fatigue life and attaining better structural integrity. Analysis for the stress intensity factor at the skin/stiffener structure with inclined central crack repaired by composite stiffened panels are developed. A numerical investigation was conducted to characterize the fracture behavior and crack growth behavior. In order to investigate the crack growth direction, Maximum Tangential Stress(MTS) criteria is used. The main objective of this research is the validation of the inclined crack patching design. In this paper, the reduction of stresses intensity factors at the crack-tip and prediction of crack growth direction are determined to evaluate the effects of various non-dimensional design parameter including; composite patch thickness and stiffener distance. The research on cracked structure subjected to mixed mode loading is accomplished and it is evident that more work using different approaches is necessary.

  17. Bilateral Mandibular Condylar Fractures with Associated External Auditory Canal Fractures and Otorrhagia


    Dang, David


    A rare case of bilateral mandibular condylar fractures associated with bilateral external auditory canal fractures and otorrhagia is reported. The more severe external auditory canal fracture was present on the side of high condylar fracture, and the less severe external auditory canal fracture was ipsilateral to the condylar neck fracture. A mechanism of injury is proposed to account for such findings.

  18. Bilateral Mandibular Condylar Fractures with Associated External Auditory Canal Fractures and Otorrhagia. (United States)

    Dang, David


    A rare case of bilateral mandibular condylar fractures associated with bilateral external auditory canal fractures and otorrhagia is reported. The more severe external auditory canal fracture was present on the side of high condylar fracture, and the less severe external auditory canal fracture was ipsilateral to the condylar neck fracture. A mechanism of injury is proposed to account for such findings.

  19. Fractures in anisotropic media (United States)

    Shao, Siyi

    Rocks may be composed of layers and contain fracture sets that cause the hydraulic, mechanical and seismic properties of a rock to be anisotropic. Coexisting fractures and layers in rock give rise to competing mechanisms of anisotropy. For example: (1) at low fracture stiffness, apparent shear-wave anisotropy induced by matrix layering can be masked or enhanced by the presence of a fracture, depending on the fracture orientation with respect to layering, and (2) compressional-wave guided modes generated by parallel fractures can also mask the presence of matrix layerings for particular fracture orientations and fracture specific stiffness. This report focuses on two anisotropic sources that are widely encountered in rock engineering: fractures (mechanical discontinuity) and matrix layering (impedance discontinuity), by investigating: (1) matrix property characterization, i.e., to determine elastic constants in anisotropic solids, (2) interface wave behavior in single-fractured anisotropic media, (3) compressional wave guided modes in parallel-fractured anisotropic media (single fracture orientation) and (4) the elastic response of orthogonal fracture networks. Elastic constants of a medium are required to understand and quantify wave propagation in anisotropic media but are affected by fractures and matrix properties. Experimental observations and analytical analysis demonstrate that behaviors of both fracture interface waves and compressional-wave guided modes for fractures in anisotropic media, are affected by fracture specific stiffness (controlled by external stresses), signal frequency and relative orientation between layerings in the matrix and fractures. A fractured layered medium exhibits: (1) fracture-dominated anisotropy when the fractures are weakly coupled; (2) isotropic behavior when fractures delay waves that are usually fast in a layered medium; and (3) matrix-dominated anisotropy when the fractures are closed and no longer delay the signal. The

  20. FEM analysis of deformation localization mechanisms in a 3-D fractured medium under rotating compressive stress orientations

    NARCIS (Netherlands)

    Strijker, G.; Beekman, F.; Bertotti, G.; Luthi, S.M.


    Stress distributions and deformation patterns in a medium with a pre-existing fracture set are analyzed as a function of the remote compressive stress orientation (σH) using finite element models with increasingly complex fracture configurations. Slip along the fractures causes deformation localizat

  1. Mechanical behavior of materials engineering methods for deformation, fracture, and fatigue

    CERN Document Server

    Dowling, Norman E


    For upper-level undergraduate engineering courses in Mechanical Behavior of Materials. Mechanical Behavior of Materials, 4/e introduces the spectrum of mechanical behavior of materials, emphasizing practical engineering methods for testing structural materials to obtain their properties, and predicting their strength and life when used for machines, vehicles, and structures. With its logical treatment and ready-to-use format, it is ideal for upper-level undergraduate students who have completed elementary mechanics of materials courses.

  2. Testing a mechanical model of fracture formation by compaction-related burial in Gale crater, Mars: Implications for the origin of Aeolis Mons (United States)

    Watkins, Jessica; Grotzinger, John P.


    Gale crater's 5-km-high central mound, Aeolis Mons (Mt. Sharp), has two leading hypotheses for its formation: buildup of windblown sediments, and exhumation of deeply buried strata. The deep burial hypothesis implies deformation by gravitational body forces and we evaluate that idea here. Ubiquitous fracture-related features have been regionally mapped from orbit and observed by the Curiosity rover in sedimentary strata including the Murray formation (dominantly mudstone) and the unconformably overlying Stimson formation (sandstone). Large fractures which exhibit complex banding structures with distinct chemical trends (e.g. halos) are primarily found in the Stimson fm, but do extend into the Murray fm in one location. Smaller, sulfate-filled fractures are most prevalent in the Murray but are also associated with haloed fractures in the Stimson. We test a compaction-related burial origin for these features based on a mechanical model for mode I fracture formation in order to constrain the regional stress history. According to the Mohr-Coulomb failure criterion, extension fracturing requires that the minimum principal stress (σ3) exceed the elastic tensile strength in the plane perpendicular to the opening. Given that tectonic driving processes are inoperative within Gale, non-tectonic mechanisms including overburden (maximum compressive stress; σ1 = ρgD) and pore fluid pressure (pf α D) must account for this tensile stress. Significant compaction as a result of increased depth of burial is required for pf to exceed σ3 and cause fracturing. When applied to Gale, we find that the estimated horizontal stress (σ3), as influenced by crater geometry, requires a substantial burial depth to produce sufficient pf to cause hydrofracture. Rheology contrasts likely caused fractures to develop and propagate more easily in the Stimson sandstone, which can support a smaller σ3, than in the Murray mudstone. In these permeable rocks, the sudden local decrease of pf at

  3. Bridging Atomistic/Continuum Scales in Solids with Moving Dislocations

    Institute of Scientific and Technical Information of China (English)

    TANG Shao-Qiang; LIU Wing K.; KARPOV Eduard G.; HOU Thomas Y.


    @@ We propose a multiscale method for simulating solids with moving dislocations. Away from atomistic subdomains where the atomistic dynamics are fully resolved, a dislocation is represented by a localized jump profile, superposed on a defect-free field. We assign a thin relay zone around an atomistic subdomain to detect the dislocation profile and its propagation speed at a selected relay time. The detection technique utilizes a lattice time history integral treatment. After the relay, an atomistic computation is performed only for the defect-free field. The method allows one to effectively absorb the fine scale fluctuations and the dynamic dislocations at the interface between the atomistic and continuum domains. In the surrounding region, a coarse grid computation is adequate.

  4. Elastic stress transmission and transformation (ESTT) by confined liquid: A new mechanics for fracture in elastic lithosphere of the earth (United States)

    Xu, Xing-Wang; Peters, Stephen; Liang, Guang-He; Zhang, Bao-Lin


    We report on a new mechanical principle, which suggests that a confined liquid in the elastic lithosphere has the potential to transmit a maximum applied compressive stress. This stress can be transmitted to the internal contacts between rock and liquid and would then be transformed into a normal compressive stress with tangential tensile stress components. During this process, both effective compressive normal stress and tensile tangential stresses arise along the liquid–rock contact. The minimum effective tensile tangential stress causes the surrounding rock to rupture. Liquid-driven fracture initiates at the point along the rock–liquid boundary where the maximum compressive stress is applied and propagates along a plane that is perpendicular to the minimum effective tensile tangential stress and also is perpendicular to the minimum principal stress.

  5. Mechanical Properties and Fracture Behaviors of GTA-Additive Manufactured 2219-Al After an Especial Heat Treatment (United States)

    Bai, J. Y.; Fan, C. L.; Lin, S. B.; Yang, C. L.; Dong, B. L.


    2219-Al parts were produced by gas tungsten arc-additive manufacturing and sequentially processed by an especial heat treatment. In order to investigate the effects of heat treatment on its mechanical properties, multiple tests were conducted. Hardness tests were carried out on part scale and layer scale along with tensile tests which were performed on welding and building directions. Results show that compared to conventional casting + T6 2219-Al, the current deposit + T6 2219-Al exhibits satisfying properties with regard to strength but unsatisfying results in plasticity. Additionally, anisotropy is significant. Fractures were observed and the cracks' propagating paths in both directional specimens are described. The effects of heat treatment on the cracks' initiation and propagation were also investigated. Ultimately, a revised formula was developed to calculate the strength of the deposit + T6 2219-Al. The aforementioned formula, which takes into consideration the belt-like porosities-distributing feature, can scientifically describe the anisotropic properties in the material.

  6. Flight monitor for jet engine disk cracks and the use of critical length criterion of fracture mechanics (United States)

    Barranger, J. P.


    A disk crack detector is discussed which is intended to operate under flight conditions. It monitors the disk rim for surface cracks emanating from the blade root interface. An eddy current type sensor, with a remotely located capacitance/conductance bridge and signal analyzer, can reliably detect a simulated crack 3 mm long. The sensor was tested on a spinning turbine disk at 540 C. Tests indicate that the system is useful at disk rim velocities to 460 m/sec. By using fracture mechanics, it is shown for Inconel 718 th at a crack operating under a rim stress of 34 x ten to the 7th power N/sqm has a critical length of 18 mm.

  7. Atomistic Monte Carlo Simulation of Lipid Membranes

    Directory of Open Access Journals (Sweden)

    Daniel Wüstner


    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.

  8. Training and Research on Probabilistic Hydro-Thermo-Mechanical Modeling of Carbon Dioxide Geological Sequestration in Fractured Porous Rocks

    Energy Technology Data Exchange (ETDEWEB)

    Gutierrez, Marte


    Colorado School of Mines conducted research and training in the development and validation of an advanced CO{sub 2} GS (Geological Sequestration) probabilistic simulation and risk assessment model. CO{sub 2} GS simulation and risk assessment is used to develop advanced numerical simulation models of the subsurface to forecast CO2 behavior and transport; optimize site operational practices; ensure site safety; and refine site monitoring, verification, and accounting efforts. As simulation models are refined with new data, the uncertainty surrounding the identified risks decrease, thereby providing more accurate risk assessment. The models considered the full coupling of multiple physical processes (geomechanical and fluid flow) and describe the effects of stochastic hydro-mechanical (H-M) parameters on the modeling of CO{sub 2} flow and transport in fractured porous rocks. Graduate students were involved in the development and validation of the model that can be used to predict the fate, movement, and storage of CO{sub 2} in subsurface formations, and to evaluate the risk of potential leakage to the atmosphere and underground aquifers. The main major contributions from the project include the development of: 1) an improved procedure to rigorously couple the simulations of hydro-thermomechanical (H-M) processes involved in CO{sub 2} GS; 2) models for the hydro-mechanical behavior of fractured porous rocks with random fracture patterns; and 3) probabilistic methods to account for the effects of stochastic fluid flow and geomechanical properties on flow, transport, storage and leakage associated with CO{sub 2} GS. The research project provided the means to educate and train graduate students in the science and technology of CO{sub 2} GS, with a focus on geologic storage. Specifically, the training included the investigation of an advanced CO{sub 2} GS simulation and risk assessment model that can be used to predict the fate, movement, and storage of CO{sub 2} in

  9. Mechanical assessment of local bone quality to predict failure of locked plating in a proximal humerus fracture model. (United States)

    Röderer, Götz; Brianza, Stefano; Schiuma, Damiano; Schwyn, Ronald; Scola, Alexander; Gueorguiev, Boyko; Gebhard, Florian; Tami, Andrea


    The importance of osteoporosis in proximal humerus fractures is well recognized. However, the local distribution of bone quality in the humeral head may also have a significant effect because it remains unclear in what quality of bone screws of standard implants purchase. The goal of this study was to investigate whether the failure of proximal humerus locked plating can be predicted by the DensiProbe (ARI, Davos, Switzerland). A 2-part fracture with metaphyseal impaction was simulated in 12 fresh-frozen human cadaveric humeri. Using the DensiProbe, local bone quality was determined in the humeral head in the course of 6 proximal screws of a standard locking plate (Philos; Synthes GmbH, Solothurn, Switzerland). Cyclic mechanical testing with increasing axial loading until failure was performed. Bone mineral density (BMD) significantly correlated with cycles until failure. Head migration significantly increased between 1000 and 2000 loading cycles and significantly correlated with BMD after 3000 cycles. DensiProbe peak torque in all screw positions and their respective mean torque correlated significantly with the BMD values. In 3 positions, the peak torque significantly correlated with cycles to failure; here BMD significantly influenced mechanical stability. The validity of the DensiProbe was proven by the correlation between its peak torque measurements and BMD. The correlation between the peak torque and cycles to failure revealed the potential of the DensiProbe to predict the failure of locked plating in vitro. This method provides information about local bone quality, potentially making it suitable for intraoperative use by allowing the surgeon to take measures to improve stability.

  10. Atomistic-continuum modeling of ultrafast laser-induced melting of silicon targets


    Lipp, Vladimir


    In this work, we present an atomistic-continuum model for simulations of ultrafast laser-induced melting processes in semiconductors on the example of silicon. The kinetics of transient non-equilibrium phase transition mechanisms is addressed with MD method on the atomic level, whereas the laser light absorption, strong generated electron-phonon nonequilibrium, fast heat conduction, and photo-excited free carrier diffusion are accounted for with a continuum TTM-like model (called nTTM). First...

  11. Damage of bamboo and wooden materials based on linear elastic fracture mechanics in garden design

    Directory of Open Access Journals (Sweden)

    Tang Haiyan


    Full Text Available Bamboo and wood are the most widely applied and the oldest natural structural materials in the world. Currently, worldwide output of wooden material is 1 billion ton, almost the same as steel. Most of them are used as structure, such as load carrying girder, scaffold, floor and support. Wooden materials and bamboo materials with clear microstructure are composite biomaterials which can be studied under multiple scales. Irregular evolution behaviors of initial defects or damage during loading determines macro mechanical behavior of wooden and bamboo materials. Taking wood and bamboo as test materials, this study explored mechanical characteristics and damage crack behavior of wood and bamboo as well as toughening mechanism.

  12. Development of a Titanium Plate for Mandibular Angle Fractures with a Bone Defect in the Lower Border: Finite Element Analysis and Mechanical Test

    Directory of Open Access Journals (Sweden)

    Douglas Rangel Goulart


    Full Text Available Objectives: The aim of the present study was to develop a plate to treat mandibular angle fractures using the finite element method and mechanical testing. Material and Methods: A three-dimensional model of a fractured mandible was generated using Rhinoceros 4.0 software. The models were exported to ANSYS®, in which a static application of displacement (3 mm was performed in the first molar region. Three groups were assessed according to the method of internal fixation (2 mm system: two non-locking plates; two locking plates and a new design locking plate. The computational model was transferred to an in vitro experiment with polyurethane mandibles. Each group contained five samples and was subjected to a linear loading test in a universal testing machine. Results: A balanced distribution of stress was associated with the new plate design. This plate modified the mechanical behavior of the fractured region, with less displacement between the fractured segments. In the mechanical test, the group with two locking plates exhibited greater resistance to the 3 mm displacement, with a statistically significant difference when compared with the new plate group (ANOVA, P = 0.016. Conclusions: The new plate exhibited a more balanced distribution of stress. However, the group with two locking plates exhibited greater mechanical resistance.

  13. Cleavage fracture and irradiation embrittlement of fusion reactor alloys: mechanisms, multiscale models, toughness measurements and implications to structural integrity assessment (United States)

    Odette, G. R.; Yamamoto, T.; Rathbun, H. J.; He, M. Y.; Hribernik, M. L.; Rensman, J. W.


    We describe the highly efficient master curves-shifts (MC-Δ T) method to measure and apply cleavage fracture toughness, KJc ( T), data and show that it is applicable to 9Cr martensitic steels. A reference temperature, T0, indexes the invariant MC shape on an absolute temperature scale. Then, T0 shifts (Δ T) are used to account for various effects of size and geometry, loading rate and irradiation embrittlement (Δ Ti). The paper outlines a multiscale model, relating atomic to structural scale fracture processes, that underpins the MC-Δ T method. At the atomic scale, we propose that the intrinsic microarrest toughness, Kμ( T), of the body-centered cubic ferrite lattice dictates an invariant shape of the macroscopic KJc ( T) curve. KJc ( T) can be modeled in terms of the true stress-strain ( σ- ɛ) constitutive law, σ ( T, ɛ), combined with a temperature-dependent critical local stress, σ*( T) and stressed volume, V*. The local fracture properties, σ*( T)- V*, are governed by coarse-scale brittle trigger particles and Kμ( T). Irradiation (and high strain rate) induced increases in the yield stress, Δ σy, lead to Δ Ti, with typical Δ Ti/Δ σy≈0.6±0.15 °C/MPa. However, Δ Ti associated with decreases in σ* and V* can result from a number of potential non-hardening embrittlement (NHE) mechanisms, including a large amount of He on grain boundaries. Estimates based on available data suggest that this occurs at >500-700 appm bulk He. Hardening and NHE are synergistic, and can lead to very large Δ Ti. NHE is signaled by large (>1 °C/MPa), or even negative, values of Δ Ti/Δ σy (for Δ σy1 and Δc/ Δy≫1. Indeed, in some circumstances, the benefits of irradiation due to increases in Pc may more than offset the liabilities of the decreases in Δc.

  14. Control effect of fracture on hard coal cracking in a fully mechanized longwall top coal caving face

    Institute of Scientific and Technical Information of China (English)

    WEI Jin-ping; LI Zhong-hua; SANG Pei-miao; CHEN Shang-qiang


    Through theoretical analysis,simulation test and practice,the law of a fracture's influence on hard top coal press cracking was studied.The study focused on the relation between fracture and coal strength,top coal caving ability and work face layout.Based on the investigation of the fracture system,the control of press cracking was achieved by matching working face to fracture orientation to improve top-coal caving ability and recov-ery.The matching principle was pointed out: The top-coal caving working face should be perpendicular to or obliquely cross the primary fracture at a large angle,and cross the secondary fracture at a small angle.The rational match can increase the recovery ratio of top-coal and avoid rib spalling.The application of control technology on hard top coal press cracking was introduced at the Iongwall top-coal caving face.

  15. U.S. National Committee for Rock Mechanics; and Conceptual model of fluid infiltration in fractured media. Project summary, July 28, 1997--July 27, 1998

    Energy Technology Data Exchange (ETDEWEB)



    The title describes the two tasks summarized in this report. The remainder of the report contains information on meetings held or to be held on the subjects. The US National Committee for Rock Mechanics (USNC/RM) provides for US participation in international activities in rock mechanics, principally through adherence to the International Society for Rock Mechanics (ISRM). It also keeps the US rock mechanics community informed about new programs directed toward major areas of national concern in which rock mechanics problems represent critical or limiting factors, such as energy resources, excavation, underground storage and waste disposal, and reactor siting. The committee also guides or produces advisory studies and reports on problem areas in rock mechanics. A new panel under the auspices of the US National Committee for Rock Mechanics has been appointed to conduct a study on Conceptual Models of Fluid Infiltration in Fractured Media. The study has health and environmental applications related to the underground flow of pollutants through fractured rock in and around mines and waste repositories. Support of the study has been received from the US Nuclear Regulatory Commission and the Department of Energy`s Yucca Mountain Project Office. The new study builds on the success of a recent USNC/RM report entitled Rock Fractures and Fluid Flow: Contemporary Understanding and Applications (National Academy Press, 1996, 551 pp.). A summary of the new study is provided.

  16. 可降解聚合物压裂球的降解行为及机理%Degradation Behavior and Mechanism of Degradable Fracturing Polymer Ball

    Institute of Scientific and Technical Information of China (English)

    邹鹏; 王林; 张建华; 樊玉生; 赵世华


    To reveal the performance characteristics of homemade degradable fracturing polymer ball,the degradation behavior of fracturing ball at various degradable time and temperature was investigated by using water,fracturing fluid and flow-back fluid acting as a degradable media of fracturing ball.Furthermore,the degradation mechanism of fracturing ball was discussed via infrared spectroscopy and XRD technology.The results showed that the mass and diameter of fracturing ball,immersing in water at 100℃,decreased gradually when degradable time increased.The mass of fracturing ball,immersing in flow-back fluid,decreased gradually when degradable time increased,and the degradation rate of fracturing ball increased when environment temperature increased.When they were immersed in fracturing fluid,the mass and diameter of fracturing ball kept instant with increasing degradable time.The degradation mechanism of fracturing ball was analyzed from molecular structure and aggregation of polymers.Fracturing polymer ball with stable compressive property was carried out in a conventional pitching manner in fracturing process.After fracturing,polymer ball was self-degraded without recycling.Degradable polymer ball had a wider application compared with degradable alloy ball.%为揭示所研制的可降解性聚合物压裂球的性能特征,分别采用自来水、压裂液与返排液作为聚合物压裂球的降解液,研究了降解时间与温度对压裂球降解行为的影响,并用红外光谱与X-射线衍射方法分析了压裂球的降解机理.结果表明:在100℃自来水中,随降解时间延长,压裂球的质量与直径减小.在返排液中,随降解时间延长,压裂球质量逐渐减小;随环境温度的升高,压裂球降解速率增大.在压裂液中,压裂球的质量与直径不随浸泡时间的延长而变化.从聚合物聚集态和分子层面分析了聚合物压裂球的降解机理.聚合物压裂球抗压差性能稳定,压裂施工过程中按

  17. Evaluation of models for estimating changes in fracture permeability due to thermo-mechanical stresses in host rock surrounding a potential repository

    Energy Technology Data Exchange (ETDEWEB)

    Berge, P A; Blair, S C; Shaffer, R J; Wang, H F


    We provide in this report a methodology to estimate bounds on the changes in fracture permeability due to thermal-mechanical processes associated with excavation of drifts and emplacement of waste. This report is the first milestone associated with Task A of the LLNL initiative to evaluate available methods for estimating chamges in fracture permeability surrounding drifts in the Exploratory Studies Facility (ESF) and the potential repository at Yucca Mountain in response to (1) construction-induced stress changes and (2) subsequent thermal pulse effects due to waste emplacement. These results are needed for modeling changes in repository-level moisture movement and seepage.

  18. Atomistic electrodynamics simulations of bare and ligand-coated nanoparticles in the quantum size regime. (United States)

    Chen, Xing; Moore, Justin E; Zekarias, Meserret; Jensen, Lasse


    The optical properties of metallic nanoparticles with nanometre dimensions exhibit features that cannot be described by classical electrodynamics. In this quantum size regime, the near-field properties are significantly modified and depend strongly on the geometric arrangements. However, simulating realistically sized systems while retaining the atomistic description remains computationally intractable for fully quantum mechanical approaches. Here we introduce an atomistic electrodynamics model where the traditional description of nanoparticles in terms of a macroscopic homogenous dielectric constant is replaced by an atomic representation with dielectric properties that depend on the local chemical environment. This model provides a unified description of bare and ligand-coated nanoparticles, as well as strongly interacting nanoparticle dimer systems. The non-local screening owing to an inhomogeneous ligand layer is shown to drastically modify the near-field properties. This will be important to consider in optimization of plasmonic nanostructures for near-field spectroscopy and sensing applications.

  19. Fracture mechanics of collagen fibrils: influence of natural cross-links. (United States)

    Svensson, Rene B; Mulder, Hindrik; Kovanen, Vuokko; Magnusson, S Peter


    Tendons are important load-bearing structures, which are frequently injured in both sports and work. Type I collagen fibrils are the primary components of tendons and carry most of the mechanical loads experienced by the tissue, however, knowledge of how load is transmitted between and within fibrils is limited. The presence of covalent enzymatic cross-links between collagen molecules is an important factor that has been shown to influence mechanical behavior of the tendons. To improve our understanding of how molecular bonds translate into tendon mechanics, we used an atomic force microscopy technique to measure the mechanical behavior of individual collagen fibrils loaded to failure. Fibrils from human patellar tendons, rat-tail tendons (RTTs), NaBH₄ reduced RTTs, and tail tendons of Zucker diabetic fat rats were tested. We found a characteristic three-phase stress-strain behavior in the human collagen fibrils. There was an initial rise in modulus followed by a plateau with reduced modulus, which was finally followed by an even greater increase in stress and modulus before failure. The RTTs also displayed the initial increase and plateau phase, but the third region was virtually absent and the plateau continued until failure. The importance of cross-link lability was investigated by NaBH₄ reduction of the rat-tail fibrils, which did not alter their behavior. These findings shed light on the function of cross-links at the fibril level, but further studies will be required to establish the underlying mechanisms.

  20. Atomistic Monte Carlo simulation of lipid membranes

    DEFF Research Database (Denmark)

    Wüstner, Daniel; Sklenar, Heinz


    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......, 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....

  1. Dislocation climb models from atomistic scheme to dislocation dynamics (United States)

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


    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 diffusion equation and a dislocation climb velocity formula. The effects of these microscopic mechanisms are incorporated by a Robin boundary condition near the dislocations for the bulk diffusion equation and a new contribution in the dislocation climb velocity due to vacancy pipe diffusion driven by the stress variation along the dislocation. Our climb formulation is able to quantitatively describe the translation of prismatic loops at low temperatures when the bulk diffusion is negligible. Using this new formulation, we derive analytical formulas for the climb velocity of a straight edge dislocation and a prismatic circular loop. Our dislocation climb formulation can be implemented in dislocation dynamics simulations to incorporate all the above four microscopic mechanisms of dislocation climb.

  2. Atomistic modeling at experimental strain rates and timescales (United States)

    Yan, Xin; Cao, Penghui; Tao, Weiwei; Sharma, Pradeep; Park, Harold S.


    Modeling physical phenomena with atomistic fidelity and at laboratory timescales is one of the holy grails of computational materials science. Conventional molecular dynamics (MD) simulations enable the elucidation of an astonishing array of phenomena inherent in the mechanical and chemical behavior of materials. However, conventional MD, with our current computational modalities, is incapable of resolving timescales longer than microseconds (at best). In this short review article, we briefly review a recently proposed approach—the so-called autonomous basin climbing (ABC) method—that in certain instances can provide valuable information on slow timescale processes. We provide a general summary of the principles underlying the ABC approach, with emphasis on recent methodological developments enabling the study of mechanically-driven processes at slow (experimental) strain rates and timescales. Specifically, we show that by combining a strong physical understanding of the underlying phenomena, kinetic Monte Carlo, transition state theory and minimum energy pathway methods, the ABC method has been found to be useful in a variety of mechanically-driven problems ranging from the prediction of creep-behavior in metals, constitutive laws for grain boundary sliding, void nucleation rates, diffusion in amorphous materials to protein unfolding. Aside from reviewing the basic ideas underlying this approach, we emphasize some of the key challenges encountered in our own personal research work and suggest future research avenues for exploration.

  3. A study of conditions for dislocation nucleation in coarser-than-atomistic scale models (United States)

    Garg, Akanksha; Acharya, Amit; Maloney, Craig E.


    We perform atomistic simulations of dislocation nucleation in defect free crystals in 2 and 3 dimensions during indentation with circular (2D) or spherical (3D) indenters. The kinematic structure of the theory of Field Dislocation Mechanics (FDM) is shown to allow the identification of a local feature of the atomistic velocity field in these simulations as indicative of dislocation nucleation. It predicts the precise location of the incipient spatially distributed dislocation field, as shown for the cases of the Embedded Atom Method potential for Al and the Lennard-Jones pair potential. We demonstrate the accuracy of this analysis for two crystallographic orientations in 2D and one in 3D. Apart from the accuracy in predicting the location of dislocation nucleation, the FDM based analysis also demonstrates superior performance than existing nucleation criteria in not persisting in time beyond the nucleation event, as well as differentiating between phase boundary/shear band and dislocation nucleation. Our analysis is meant to facilitate the modeling of dislocation nucleation in coarser-than-atomistic scale models of the mechanics of materials.

  4. A comparison of the stress corrosion cracking susceptibility of commercially pure titanium grade 4 in Ringer's solution and in distilled water: a fracture mechanics approach. (United States)

    Roach, Michael D; Williamson, R Scott; Thomas, Joseph A; Griggs, Jason A; Zardiackas, Lyle D


    From the results of laboratory investigations reported in the literature, it has been suggested that stress corrosion cracking (SCC) mechanisms may contribute to early failures in titanium alloys that have elevated oxygen concentrations. However, the susceptibility of titanium alloys to SCC in physiological environments remains unclear. In this study, a fracture mechanics approach was used to examine the SCC susceptibility of CP titanium grade 4 in Ringer's solution and distilled de-ionized (DI) water, at 37°C. The study duration was 26 weeks, simulating the non-union declaration of a plated fracture. Four wedge loads were used corresponding to 86-95% of the alloy's ligament yield load. The longest cracks were measured to be 0.18 mm and 0.10 mm in Ringer's solution and DI water, respectively. SEM analysis revealed no evidence of extensive fluting and quasi-cleavage fracture features which, in literature reports, were attributed to SCC. We thus postulate that the Ringer's solution accelerated the wedge-loaded crack growth without producing the critical stresses needed to change the fracture mechanism. Regression analysis of the crack length results led to a significant best-fit relationship between crack growth velocity (independent variable) and test electrolyte, initial wedge load, and time of immersion of specimen in electrolyte (dependent variables).

  5. Application of microdynamics and lattice mechanics to problems in plastic flow and fracture. Final report, 1 April 1973--31 March 1978

    Energy Technology Data Exchange (ETDEWEB)

    Bilello, J C; Liu, J M


    Progress in an investigation of the application of microdynamics and lattice mechanics to the problems in plastic flow and fracture is described. The research program consisted of both theoretical formulations and experimental measurements of a number of intrinsic material parameters in bcc metals and alloys including surface energy, phonon-dispersion curves for dislocated solids, dislocation-point defect interaction energy, slip initiation and microplastic flow behavior. The study has resulted in an improved understanding in the relationship among the experimentally determined fracture surface energy, the intrinsic cohesive energy between atomic planes, and the plastic deformation associated with the initial stages of crack propagation. The values of intrinsic surface energy of tungsten, molybdenum, niobium and niobium-molybdenum alloys, deduced from the measurements, serve as a starting point from which fracture toughness of these materials in engineering service may be intelligently discussed.

  6. Fluids double-fracturing genetic mechanism and mineralization of gold-copper of the breccia pipe at Qibaoshan in Shandong Province

    Institute of Scientific and Technical Information of China (English)

    徐兴旺; 蔡新平; 秦大军; 王杰; 梁光河; 张小允; 刘立金


    After studying the characteristics and special texture of the fluidogenous tectonics, mineral assemblage in the cemented vein between breccia and their special distribution, and stress analyzing the joint structures in and around the breccia pipe, it is found that the observed phenomena are caused by a new tectonic dynamic mechanics of fluid——double-fracturing caused bytemperature and pressure of fluids and pulsating expansion. Under the actions of thermal stress and the pressure of fluids, thermal cracks and joints that developed along parts of the thermal cracks formed systematically in the rocks. Under these conditions, up-arching fracture zones that pulsatively expanded upward and cylindrical pressing breccia body were formed. Rocks at the peak of the pyramidal fractures zone break down instantly. Where the difference between pressure of fluids and the overburden pressure exceeded greatly the competence of the rocks, fluid junctions occurred and the velocity of the fluid flow increased as a result.

  7. Physically representative atomistic modeling of atomic-scale friction (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

  8. Molecular-dynamics Simulation-based Cohesive Zone Representation of Intergranular Fracture Processes in Aluminum (United States)

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


    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

  9. Challenges in Continuum Modelling of Intergranular Fracture

    DEFF Research Database (Denmark)

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


    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......, 3D grain boundary geometries comprise a five-dimensional space. Second, the energy and peak stress of grain boundaries have singularities for all commensurate grain boundaries, especially those with short repeat distances. Thirdly, fracture nucleation and growth depend not only upon the properties...... 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....

  10. Atomistic Simulations of Uranium Incorporation into Iron (Hydr)Oxides

    Energy Technology Data Exchange (ETDEWEB)

    Kerisit, Sebastien N.; Felmy, Andrew R.; Ilton, Eugene S.


    Atomistic simulations were carried out to characterize the coordination environments of U incorporated in three Fe-(hydr)oxide minerals: goethite, magnetite, and hematite. The simulations provided information on U-O and U-Fe distances, coordination numbers, and lattice distortion for U incorporated in different sites (e.g., unoccupied versus occupied sites, octahedral versus tetrahedral) as a function of the oxidation state of U and charge compensation mechanisms (i.e., deprotonation, vacancy formation, or reduction of Fe(III) to Fe(II)). For goethite, deprotonation of first shell hydroxyls enables substitution of U for Fe(III) with a minimal amount of lattice distortion, whereas substitution in unoccupied octahedral sites induced appreciable distortion to 7-fold coordination regardless of U oxidation states and charge compensation mechanisms. Importantly, U-Fe distances of ~3.6 Å were associated with structural incorporation of U and cannot be considered diagnostic of simple adsorption to goethite surfaces. For magnetite, the octahedral site accommodates U(V) or U(VI) with little lattice distortion. U substituted for Fe(III) in hematite maintained octahedral coordination in most cases. In general, comparison of the simulations with available experimental data provides further evidence for the structural incorporation of U in iron (hydr)oxide minerals.

  11. Probabilistic fracture mechanics in the integrity evaluation of components; Mecanica de fractura probabilista en la evaluacion de la integridad de componentes

    Energy Technology Data Exchange (ETDEWEB)

    Franco Nava, Jose Manuel; Torres Toledano, Jose Gerardo; Sanchez Sanchez, Ramon [Instituto de Investigaciones Electricas, Cuernavaca (Mexico)


    Because of the importance of fracture mechanics in applications to pressure vessels, piping and other components used in thermal power plants, the Mechanical Engineering Unit of the Instituto de Investigaciones Electricas (IIE) has been developing activities in this field since some years ago. In this paper, the process for the analysis of probabilistic fracture mechanics is described. As an example, an application to the calculation of fault probability in piping systems, is presented. [Espanol] Dada la importancia de la mecanica de fractura en aplicaciones de recipientes a presion, tuberias y otros componentes utilizados en centrales termicas, la Unidad de Ingenieria Mecanica del Instituto de Investigaciones Electricas (IIE) ha venido desarrollando actividades en este campo desde hace algunos anos. En el presente trabajo, se describe el proceso para el analisis de mecanica de fractura probabilista. Como ejemplo se presenta una aplicacion al calculo de probabilidad de falla en tuberias.

  12. Anisotropic and heterogeneous mechanical properties of a stratified shale/limestone sequence at Nash Point, South Wales: A case study for hydraulic fracture propagation through a layered medium (United States)

    Forbes Inskip, Nathaniel; Meredith, Philip; Gudmundsson, Agust


    While considerable effort has been expended on the study of fracture propagation in rocks in recent years, our understanding of how fractures propagate through layered sedimentary rocks with different mechanical and elastic properties remains poorly constrained. Yet this is a key issue controlling the propagation of both natural and anthropogenic hydraulic fractures in layered sequences. Here we report measurements of the contrasting mechanical and elastic properties of the Lower Lias at Nash Point, South Wales, which comprises an interbedded sequence of shale and limestone layers, and how those properties may influence fracture propagation. Elastic properties of both materials have been characterised via ultrasonic wave velocity measurements as a function of azimuth on samples cored both normal and parallel to bedding. The shale is highly anisotropic, with P-wave velocities varying from 2231 to 3890 m s-1, giving an anisotropy of ~55%. By contrast, the limestone is essentially isotropic, with a mean P-wave velocity of 5828 m s-1 and an anisotropy of ~2%. The dynamic Young's modulus of the shale, calculated from P- and S-wave velocity data, is also anisotropic with a value of 36 GPa parallel to bedding and 12 GPa normal to bedding. The modulus of the limestone is again isotropic with a value of 80 GPa. It follows that for a vertical fracture propagating (i.e. normal to bedding) the modulus contrast is 6.6. This is important because the contrast in elastic properties is a key factor in controlling whether fractures arrest, deflect, or propagate across interfaces between layers in a sequence. There are three principal mechanisms by which a fracture may deflect across or along an interface, namely: Cook-Gordon debonding, stress barrier, and elastic mismatch. Preliminary numerical modelling results (using a Finite Element Modelling software) of induced fractures at Nash Point suggest that all three are important. The results demonstrate a rotation of the maximum

  13. Grain Size Effect of Commercial Pure Titanium Foils on Mechanical Properties, Fracture Behaviors and Constitutive Models (United States)

    Daming, Nie; Zhen, Lu; Kaifeng, Zhang


    The constitutive models based on grain size effect are crucial for analyzing the deformation of metal foils. Previous investigations on the constitutive models concentrate on the foils whose thickness/average grain diameter (T/D) ratios are more than 3. In this study, the commercial pure titanium foils with thickness of 0.1 and 0.2 mm were employed as the experimental materials. The mechanical properties of foils with dimensions of nine different T/D ratios categorized into three ranges (T/D mechanisms of the samples with different T/D ratios were compared and analyzed. Besides, three constitutive models incorporating the surface layer effect and grain boundary strengthening effect were established for the three T/D ratio ranges correspondingly. In these models, the thickness of the surface layers is set T for T/D 3, and increases with D linearly in 1 ≤ T/D < 3. The results calculated by the three models were compared. The experiments indicate that those models are all in good agreement.

  14. Idealized vs. Realistic Microstructures: An Atomistic Simulation Case Study on γ/γ′ Microstructures

    Directory of Open Access Journals (Sweden)

    Aruna Prakash


    Full Text Available Single-crystal Ni-base superalloys, consisting of a two-phase γ/ γ ′ microstructure, retain high strengths at elevated temperatures and are key materials for high temperature applications, like, e.g., turbine blades of aircraft engines. The lattice misfit between the γ and γ ′ phases results in internal stresses, which significantly influence the deformation and creep behavior of the material. Large-scale atomistic simulations that are often used to enhance our understanding of the deformation mechanisms in such materials must accurately account for such misfit stresses. In this work, we compare the internal stresses in both idealized and experimentally-informed, i.e., more realistic, γ/ γ ′ microstructures. The idealized samples are generated by assuming, as is frequently done, a periodic arrangement of cube-shaped γ ′ particles with planar γ/ γ ′ interfaces. The experimentally-informed samples are generated from two different sources to produce three different samples—the scanning electron microscopy micrograph-informed quasi-2D atomistic sample and atom probe tomography-informed stoichiometric and non-stoichiometric atomistic samples. Additionally, we compare the stress state of an idealized embedded cube microstructure with finite element simulations incorporating 3D periodic boundary conditions. Subsequently, we study the influence of the resulting stress state on the evolution of dislocation loops in the different samples. The results show that the stresses in the atomistic and finite element simulations are almost identical. Furthermore, quasi-2D boundary conditions lead to a significantly different stress state and, consequently, different evolution of the dislocation loop, when compared to samples with fully 3D boundary conditions.

  15. Effect of processing, sterilization and crosslinking on UHMWPE fatigue fracture and fatigue wear mechanisms in joint arthroplasty. (United States)

    Ansari, Farzana; Ries, Michael D; Pruitt, Lisa


    Ultra high molecular weight polyethylene (UHMWPE) has been used as a bearing surface in total joint replacements (TJR) for nearly five decades. This semi-crystalline polymer has extraordinary energetic toughness owing to its high molecular weight and entanglement density. However, it is challenged by a need to offer a combined resistance to fatigue, wear and oxidation in vivo. The processing, sterilization treatment, and microstructural tailoring of UHMWPE has evolved considerably in the past 50 years but an optimized microstructure remains elusive. This review seeks to provide an overview of this processing history to address two primary questions: First, how does microstructure affect fatigue fracture and fatigue wear mechanisms in UHMWPE? And second, can microstructure be optimized to provide resistance to fatigue, oxidation and wear in vivo? Previous literature demonstrates that while crosslinking improves resistance to adhesive/abrasive wear, it also reduces resistance to fatigue crack propagation and fatigue wear by restricting molecular mobility and rendering the polymer more brittle. Crystallinity improves fatigue resistance but generally increases elastic modulus and concomitant contact stresses in vivo. The presence of fusion defects or oxidation reduces further fatigue resistance and enhances fatigue wear. Thus, UHMWPE microstructural evolution comes with trade-offs. Currently there is no singular formulation of UHMWPE that is ideal for all TJR applications.

  16. Study of a flight monitor for jet engine disk cracks using the critical length criterion of fracture mechanics (United States)

    Barranger, J. P.


    A disk crack detector is discussed which is intended to operate while in flight. The crack detector monitors the disk rim for radial surface cracks emanating from the blade root interface. An eddy current type sensor with a remotely located capacitance-resistance bridge and signal analyzer is able to detect reliably a simulated crack 1/8 in. long. The sensor was tested at rim velocities of 600 fps and at 1000 F. Fracture mechanics is used to calculate the critical crack length. Knowledge of the crack growth rate permits the calculation of the number of stress cycles remaining for the detected crack to grow to critical size. A plot is presented of the remaining life as a function of the critical crack length and the operating stress. It is shown that for a disk of Inconel 718 a through-the-thickness crack operating under a rim stress of 50 kpsi has a critical length of 0.7-in. and a remaining life of 130 flights.

  17. Techniques for predicting the lifetimes of wave-swept macroalgae: a primer on fracture mechanics and crack growth. (United States)

    Mach, Katharine J; Nelson, Drew V; Denny, Mark W


    Biomechanical analyses of intertidal and shallow subtidal seaweeds have elucidated ways in which these organisms avoid breakage in the presence of exceptional hydrodynamic forces imposed by pounding surf. However, comparison of algal material properties to maximum hydrodynamic forces predicts lower rates of breakage and dislodgment than are actually observed. Why the disparity between prediction and reality? Most previous research has measured algal material properties during a single application of force, equivalent to a single wave rushing past an alga. In contrast, intertidal macroalgae may experience more than 8000 waves a day. This repeated loading can cause cracks - introduced, for example, by herbivory or abrasion - to grow and eventually cause breakage, yet fatigue crack growth has not previously been taken into account. Here, we present methods from the engineering field of fracture mechanics that can be used to assess consequences of repeated force imposition for seaweeds. These techniques allow quantification of crack growth in wave-swept macroalgae, a first step towards considering macroalgal breakage in the realistic context of repeated force imposition. These analyses can also be applied to many other soft materials.

  18. Fracture Mechanics for a Mode Ⅲ Crack in a Piezoelectromagnetic Material

    Institute of Scientific and Technical Information of China (English)


    Analytical solutions for a Griffith crack inside an infinite piezoelectromagnetic medium under combined mechanical-electrical-magnetic loadings are formulated using integral transform method. The singular stress, electric and magnetic fields in the piezoelectromagnetic material are obtained by the theory of linear piezoelectromagneticity. Fourier transforms are used to reduce the mixed boundary value problems of the crack, which is assumed to be permeable, to dual integral equations. The solution of the dual integral equations is then expressed analytically. Expressions for strains, stresses, electric fields, electric displacements, magnetic fields and magnetic inductions in the vicinity of the crack tip are derived. Field intensity factors and energy release rate for piezoelectromagnetic material are obtained. The stresses, electric displacements and magnetic inductions at the crack tip show the traditional square root singularities; and the electric field intensity factor (EFIF) and the magnetic field intensity factor (MFIF) are always zero.

  19. Scaphoid fractures in children

    Directory of Open Access Journals (Sweden)

    Gajdobranski Đorđe


    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.

  20. Macro- and micro-scale mechanisms of time-dependent fracturing in rocks (United States)

    Brantut, Nicolas; Heap, Mike; Baud, Patrick; Meredith, Philip


    We performed a series of brittle deformation experiments in porous sandstones, in creep and constant strain rate conditions, in order to investigate the relationship between their short- and long-term mechanical behaviour. Elastic wave velocities measurements indicate that the amount of microcracking follows the amount of inelastic strain in a trend which does not depend upon the timescale involved. The comparison of stress-strain curves between constant strain rate and creep tests allows us to define a stress difference between the two, which can be viewed as a difference in energy release rate. We empirically show that the creep strain rates are proportional to an exponential function of this stress difference. We then establish a general method to estimate empirical micromechanical functions relating the applied stresses to mode I stress intensity factors at microcrack tips, and we determine the relationship between creep strain rates and stress intensity factors in our sandstone creep experiments. We finally provide an estimate of the sub-critical crack growth law parameters, and find that they match -within the experimental errors and approximations of the method- the typical values observed in independent single crack tests. Our approach provides a comprehensive and unifying explanation for the origin and the macroscopic manifestation of time-dependent brittle deformation in brittle rocks.

  1. Small Molecule Inhibition of the TNF Family Cytokine CD40 Ligand Through a Subunit Fracture Mechanism

    Energy Technology Data Exchange (ETDEWEB)

    L Silvian; J Friedman; K Strauch; T Cachero; E Day; F Qian; B Cunningham; A Fung; L Sun; et al.


    BIO8898 is one of several synthetic organic molecules that have recently been reported to inhibit receptor binding and function of the constitutively trimeric tumor necrosis factor (TNF) family cytokine CD40 ligand (CD40L, aka CD154). Small molecule inhibitors of protein-protein interfaces are relatively rare, and their discovery is often very challenging. Therefore, to understand how BIO8898 achieves this feat, we characterized its mechanism of action using biochemical assays and X-ray crystallography. BIO8898 inhibited soluble CD40L binding to CD40-Ig with a potency of IC{sub 50} = 25 {mu}M and inhibited CD40L-dependent apoptosis in a cellular assay. A co-crystal structure of BIO8898 with CD40L revealed that one inhibitor molecule binds per protein trimer. Surprisingly, the compound binds not at the surface of the protein but by intercalating deeply between two subunits of the homotrimeric cytokine, disrupting a constitutive protein-protein interface and breaking the protein's 3-fold symmetry. The compound forms several hydrogen bonds with the protein, within an otherwise hydrophobic binding pocket. In addition to the translational splitting of the trimer, binding of BIO8898 was accompanied by additional local and longer-range conformational perturbations of the protein, both in the core and in a surface loop. Binding of BIO8898 is reversible, and the resulting complex is stable and does not lead to detectable dissociation of the protein trimer. Our results suggest that a set of core aromatic residues that are conserved across a subset of TNF family cytokines might represent a generic hot-spot for the induced-fit binding of trimer-disrupting small molecules.

  2. Microcracks and Overpressure- Induced Fractures

    Institute of Scientific and Technical Information of China (English)

    Ahmed M. Al - QAHTANI


    The microfractures and natural fractures studies have a great significance in the hydrocarbon accumulation exploration and can be a good supporter for wide geophysical study on the major structures. This paper is a brief review on microcracks and overpressure- induced fracture. It is to discuss different views on the mechanism of fractures in the subsurface of the earth.

  3. Strain Functionals for Characterizing Atomistic Geometries (United States)

    Kober, Edward; Rudin, Sven

    The development of a set of strain tensor functionals that are capable of characterizing arbitrarily ordered atomistic structures is described. This approach defines a Gaussian-weighted neighborhood around each atom and characterizes that local geometry in terms of n-th order strain tensors, which are equivalent to the moments of the neighborhood. Fourth order expansions can distinguish the cubic structures (and deformations thereof), but sixth order expansions are required to fully characterize hexagonal structures. Other methods used to characterize atomic structures, such as the Steinhardt parameters or the centrosymmetry metric, can be derived from this more general approach. These functions are continuous and smooth and much less sensitive to thermal fluctuations than other descriptors based on discrete neighborhoods. They allow material phases, deformations, and a large number of defect structures to be readily identified and classified. Applications to the analysis of shock-loaded samples of Cu, Ta and Ti will be presented. This strain functional basis can also then be used for developing interatomic potential functions, and an initial application to Cu will be presented.

  4. Stress in titania nanoparticles: An atomistic study

    Energy Technology Data Exchange (ETDEWEB)

    Darkins, Robert; Sushko, Maria L.; Liu, Jun; Duffy, Dorothy M.


    Stress engineering is becoming an increasingly important method for controlling electronic, optical, and magnetic properties of nanostructures, although the concept of stress is poorly defined at the nanoscale. We outline a methodology for computing bulk and surface stress in nanoparticles using atomistic simulation. The method is applicable to ionic and non- ionic materials alike and may be extended to other nanostructures. We apply it to spherical anatase nanoparticles ranging from 2 to 6 nm in diameter and obtain a surface stress of 0.89 N/m, in agreement with experimental measurements. Based on the extent that stress inhomogeneities at the surface are transmitted into the bulk, two characteristic length-scales are identified: below 3 nm bulk and surface regions cannot be defined and the available analytic theories for stress are not applicable, and above about 5 nm the stress becomes well-described by the theoretical Young-Laplace equation. The effect of a net surface charge on the bulk stress is also investigated. It is found that moderate surface charges can induce significant bulk stresses, on the order of 100 MPa, in nanoparticles within this size range.

  5. Transistor roadmap projection using predictive full-band atomistic modeling

    Energy Technology Data Exchange (ETDEWEB)

    Salmani-Jelodar, M., E-mail:; Klimeck, G. [Network for Computational Nanotechnology and School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Kim, S. [Intel Corporation, 2501 Northwest 229th Avenue, Hillsboro, Oregon 97124 (United States); Ng, K. [Semiconductor Research Corporation (SRC), 1101 Slater Rd, Durham, North Carolina 27703 (United States)


    In this letter, a full band atomistic quantum transport tool is used to predict the performance of double gate metal-oxide-semiconductor field-effect transistors (MOSFETs) over the next 15 years for International Technology Roadmap for Semiconductors (ITRS). As MOSFET channel lengths scale below 20 nm, the number of atoms in the device cross-sections becomes finite. At this scale, quantum mechanical effects play an important role in determining the device characteristics. These quantum effects can be captured with the quantum transport tool. Critical results show the ON-current degradation as a result of geometry scaling, which is in contrast to previous ITRS compact model calculations. Geometric scaling has significant effects on the ON-current by increasing source-to-drain (S/D) tunneling and altering the electronic band structure. By shortening the device gate length from 20 nm to 5.1 nm, the ratio of S/D tunneling current to the overall subthreshold OFF-current increases from 18% to 98%. Despite this ON-current degradation by scaling, the intrinsic device speed is projected to increase at a rate of at least 8% per year as a result of the reduction of the quantum capacitance.

  6. 2nd International Workshop on Physics-Based Modelling of Material Properties and Experimental Observations with special focus on Fracture and Damage Mechanics: Book of Abstracts


    Nilsson, Karl-Fredrik; YALCINKAYA Tuncay; Oren, Ersin Emre; Tekoğlu, Cihan


    This report covers the book of abstracts of the 2nd International Workshop on Physics Based Modelling of Material Properties and Experimental Observations, with special focus on Fracture and Damage Mechanics. The workshop is organized in the context of European Commission’s Enlargement and Integration Action, by the Joint Research Centre in collaboration with the TOBB University of Economics and Technology (TOBB ETU) on 15th-17th May 2013 in Antalya, Turkey. The abstracts of the keynote le...

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

    Energy Technology Data Exchange (ETDEWEB)

    Liedke, Bartosz


    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

  8. A Comparison between Deep and Shallow Stress Fields in Korea Using Earthquake Focal Mechanism Inversions and Hydraulic Fracturing Stress Measurements (United States)

    Lee, Rayeon; Chang, Chandong; Hong, Tae-kyung; Lee, Junhyung; Bae, Seong-Ho; Park, Eui-Seob; Park, Chan


    We are characterizing stress fields in Korea using two types of stress data: earthquake focal mechanism inversions (FMF) and hydraulic fracturing stress measurements (HF). The earthquake focal mechanism inversion data represent stress conditions at 2-20 km depths, whereas the hydraulic fracturing stress measurements, mostly conducted for geotechnical purposes, have been carried out at depths shallower than 1 km. We classified individual stress data based on the World Stress Map quality ranking scheme. A total of 20 FMF data were classified into A-B quality, possibly representing tectonic stress fields. A total of 83 HF data out of compiled 226 data were classified into B-C quality, which we use for shallow stress field characterization. The tectonic stress, revealed from the FMF data, is characterized by a remarkable consistency in its maximum stress (σ1) directions in and around Korea (N79±2° E), indicating a quite uniform deep stress field throughout. On the other hand, the shallow stress field, represented by HF data, exhibits local variations in σ1 directions, possibly due to effects of topography and geologic structures such as faults. Nonetheless, there is a general similarity in σ1 directions between deep and shallow stress fields. To investigate the shallow stress field statistically, we follow 'the mean orientation and wavelength analysis' suggested by Reiter et al. (2014). After the stress pattern analysis, the resulting stress points distribute sporadically over the country, not covering the entire region evenly. In the western part of Korea, the shallow σ1directions are generally uniform with their search radius reaching 100 km, where the average stress direction agrees well with those of the deep tectonic stress. We note two noticeable differences between shallow and deep stresses in the eastern part of Korea. First, the shallow σ1 orientations are markedly non-uniform in the southeastern part of Korea with their search radius less than 25 km

  9. Analysis and modeling of coupled thermo-hydro-mechanical phenomena in 3D fractured media; Analyse et modelisation des phenomenes couples thermo-hydromecaniques en milieux fractures 3D

    Energy Technology Data Exchange (ETDEWEB)

    Canamon Valera, I


    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

  10. Multiscale Modeling of Damage Processes in Aluminum Alloys: Grain-Scale Mechanisms (United States)

    Hochhalter, J. D.; Veilleux, M. G.; Bozek, J. E.; Glaessgen, E. H.; Ingraffea, A. R.


    This paper has two goals related to the development of a physically-grounded methodology for modeling the initial stages of fatigue crack growth in an aluminum alloy. The aluminum alloy, AA 7075-T651, is susceptible to fatigue cracking that nucleates from cracked second phase iron-bearing particles. Thus, the first goal of the paper is to validate an existing framework for the prediction of the conditions under which the particles crack. The observed statistics of particle cracking (defined as incubation for this alloy) must be accurately predicted to simulate the stochastic nature of microstructurally small fatigue crack (MSFC) formation. Also, only by simulating incubation of damage in a statistically accurate manner can subsequent stages of crack growth be accurately predicted. To maintain fidelity and computational efficiency, a filtering procedure was developed to eliminate particles that were unlikely to crack. The particle filter considers the distributions of particle sizes and shapes, grain texture, and the configuration of the surrounding grains. This filter helps substantially reduce the number of particles that need to be included in the microstructural models and forms the basis of the future work on the subsequent stages of MSFC, crack nucleation and microstructurally small crack propagation. A physics-based approach to simulating fracture should ultimately begin at nanometer length scale, in which atomistic simulation is used to predict the fundamental damage mechanisms of MSFC. These mechanisms include dislocation formation and interaction, interstitial void formation, and atomic diffusion. However, atomistic simulations quickly become computationally intractable as the system size increases, especially when directly linking to the already large microstructural models. Therefore, the second goal of this paper is to propose a method that will incorporate atomistic simulation and small-scale experimental characterization into the existing multiscale

  11. The industrial application of fracture mechanics concepts discussed at the background of international standards and guidelines; Die industrielle Anwendung bruchmechanischer Konzepte vor dem Hintergrund internationaler Bewertungsvorschriften und Regelwerke

    Energy Technology Data Exchange (ETDEWEB)

    Zerbst, U. [GKSS-Forschungszentrum Geesthacht GmbH (Germany). Inst. fuer Werkstofforschung; Langenberg, P. [Ingenieurbuero fuer Werkstofftechnik, Aachen (Germany)


    Many features from the background for an intensified application of fracture mechanics concepts in many industries world-wide. These include requirements for a permanent increase of the level of performance of technical components and structures by the introduction of new materials, joining technologies and design principles, the problem of ageing components and life extension, an increased emphasis on non-destructive in-service inspection combined with improved NDT techniques, and also a number of failure events caused by fatigue and fracture The aim of the present paper is to give a brief state-of-the-art review on how fracture mechanics is applied in different industrial branches today. This is based on standards and guidelines in the aerospace industry, in the nuclear and fossil power generation, in the chemical and petrochemical and the pipeline industry, in civil engineering, offshore technique and other fields. Based on the review an outlook is given on a future development that would be reasonable and desirable from the point of view of a basically unified philosophy of fracture mechanics application. (orig.) [German] Die Erhoehung der Leistungsparameter vieler Maschinen und Anlagen verbunden mit dem Einsatz neuer Werkstoffe, Fuegeverfahren und Konstruktionsprinzipien, der Betrieb vieler Strukturen ueber ihre projektierte Lebensdauer hinaus, technische Verbesserungen und ein durchgaengigerer Einsatz zerstoerungsfreier Defektpruefverfahren, aber auch immer wieder einmal auftretende Schadensfaelle bilden den Hintergrund fuer die zunehmende Nutzung bruchmechanischer Bewertungsvorschriften in der industriellen Praxis. Die vorliegende Studie zieht eine momentane Bilanz dieser Entwicklung am Beispiel von Fachbereichsstandards der Luft- und Raumfahrtindustrie, der konventionellen und Kernkrafttechnik, der Chemie und Petrochemie, der Pipelineindustrie, des Stahlbaus, der Offshore-Technik und anderer Bereiche. Ausgehend von dieser Bestandsaufnahme wird ein Ausblick

  12. Hybrid continuum-atomistic approach to model electrokinetics in nanofluidics

    Energy Technology Data Exchange (ETDEWEB)

    Amani, Ehsan, E-mail:; Movahed, Saeid, E-mail:


    In this study, for the first time, a hybrid continuum-atomistic based model is proposed for electrokinetics, electroosmosis and electrophoresis, through nanochannels. Although continuum based methods are accurate enough to model fluid flow and electric potential in nanofluidics (in dimensions larger than 4 nm), ionic concentration is too low in nanochannels for the continuum assumption to be valid. On the other hand, the non-continuum based approaches are too time-consuming and therefore is limited to simple geometries, in practice. Here, to propose an efficient hybrid continuum-atomistic method of modelling the electrokinetics in nanochannels; the fluid flow and electric potential are computed based on continuum hypothesis coupled with an atomistic Lagrangian approach for the ionic transport. The results of the model are compared to and validated by the results of the molecular dynamics technique for a couple of case studies. Then, the influences of bulk ionic concentration, external electric field, size of nanochannel, and surface electric charge on the electrokinetic flow and ionic mass transfer are investigated, carefully. The hybrid continuum-atomistic method is a promising approach to model more complicated geometries and investigate more details of the electrokinetics in nanofluidics. - Highlights: • A hybrid continuum-atomistic model is proposed for electrokinetics in nanochannels. • The model is validated by molecular dynamics. • This is a promising approach to model more complicated geometries and physics.

  13. Modeling and characterization of the elastic behavior of interfaces in nanostructured materials: From an atomistic description to a continuum approach (United States)

    Dingreville, Remi

    Steady technological progresses in all fields of nanoscale technology and probe technology have enabled the synthesis, the assembly, the development, the characterization and the improvement of nanostructured materials. The lack of understanding of their macroscopic behavior is a major roadblock for inserting these materials into engineering applications. Partially due to these rapid advances in nano-scale and nano-structured materials, there has been a resurgence of interest in surface elastic properties such as surface energy, surface stresses, and surface elastic stiffness. Because of the large surface-to-volume ratio in nano-materials, surface elastic properties become more prominent. They have strong influence on the overall thermo-mechanical behavior of the nano-materials. In this dissertation, an innovative approach combining continuum mechanics and atomistic simulations is exposed to develop a nanomechanics theory for modeling and predicting the macroscopic behavior of nanomaterials. This nanomechanics theory exhibits the simplicity of the continuum formulation while taking into account the discrete atomic structure and interaction near surfaces/interfaces. There are four primary objectives to this dissertation. First, theory of interfaces is revisited to better understand its behavior and effects on the overall behavior of nanostructures. Second, atomistic tools are provided in order to efficiently determine the properties of free surfaces and interfaces. Interface properties are reported in this work, with comparison to both theoretical and experimental characterizations of interfaces. Specifically, we report surface elastic properties of groups 10--11 transition metals as well as properties for low-CSL grain boundaries in copper. Third, we propose a continuum framework that casts the atomic level information into continuum quantities that can be used to analyze, model and simulate macroscopic behavior of nanostructured materials. In particular, we study

  14. Reaction-transport-mechanical (RTM) simulator Sym.CS: Putting together water-rock interaction, multi-phase and heat flow, composite petrophysics model, and fracture mechanics (United States)

    Paolini, C.; Park, A. J.; Mellors, R. J.; Castillo, J.


    A typical CO2 sequestration scenario involves the use of multiple simulators for addressing multiphase fluid and heat flow, water-rock interaction and mass-transfer, rock mechanics, and other chemical and physical processes. The benefit of such workflow is that each model can be constrained rigorously; however, the drawback is final modeling results may achieve only a limited extent of the theoretically possible capabilities of each model. Furthermore, such an approach in modeling carbon sequestration cannot capture the nonlinearity of the various chemical and physical processes. Hence, the models can only provide guidelines for carbon sequestration processes with large margins of error. As an alternative, a simulator is being constructed by a multi-disciplinary team with the aim of implementing a large array of fundamental phenomenologies, including, but not limited to: water-rock interaction using elemental mass-balance and explicit mass-transfer and reaction coupling methods; multi-phase and heat flow, including super-critical CO2 and oil; fracture mechanics with anisotropic permeabilities; rheological rock mechanics based on incremental stress theory; and a composite petrophysics model capable of describing changing rock composition and properties. The modules representing the processes will be solved using a layered iteration method, with the goal of capturing the nonlinear feedback among all of the processes. The simulator will be constructed using proven optimization and modular, object-oriented, and service-oriented programming methods. Finally, a novel AJAX (asynchronous JavaScript and XML) user interface is being tested to host the simulator that will allow usage through an Internet browser. Currently, the water-rock interaction, composite petrophysics, and multi-phase fluid and heat flow modules are available for integration. Results of the water-rock interaction and petrophysics coupling has been used to model interaction between a CO2-charged water and

  15. Evaluation of Stress Corrosion Cracking Susceptibility Using Fracture Mechanics Techniques, Part 1. [environmental tests of aluminum alloys, stainless steels, and titanium alloys (United States)

    Sprowls, D. O.; Shumaker, M. B.; Walsh, J. D.; Coursen, J. W.


    Stress corrosion cracking (SSC) tests were performed on 13 aluminum alloys, 13 precipitation hardening stainless steels, and two titanium 6Al-4V alloy forgings to compare fracture mechanics techniques with the conventional smooth specimen procedures. Commercially fabricated plate and rolled or forged bars 2 to 2.5-in. thick were tested. Exposures were conducted outdoors in a seacoast atmosphere and in an inland industrial atmosphere to relate the accelerated tests with service type environments. With the fracture mechanics technique tests were made chiefly on bolt loaded fatigue precracked compact tension specimens of the type used for plane-strain fracture toughness tests. Additional tests of the aluminum alloy were performed on ring loaded compact tension specimens and on bolt loaded double cantilever beams. For the smooth specimen procedure 0.125-in. dia. tensile specimens were loaded axially in constant deformation type frames. For both aluminum and steel alloys comparative SCC growth rates obtained from tests of precracked specimens provide an additional useful characterization of the SCC behavior of an alloy.

  16. Mechanical Properties and Fracture Behaviour of LMD Produced 2.4682 and Wrought 2.4630 Dissimilar Welds (United States)

    Dahmen, Martin; Göbel, Marco

    A bearing made of Stellite 31 (2.4682) has to be welded onto a housing of Nimonic 75 (2.4630) by autogenous laser beam welding. The bearing part is produced by laser metal deposition (LMD), the housing consists of wrought sheet metal. An investigation is undertaken in order to study the effect of the anisotropy of the LMD part on the weld quality. Tensile specimens were produced and tested under varying load directions and test temperatures, and application of different weld heat treatments. The fractured specimens were analysed by metallography and fractography. Tensile tests at room temperature show a dependency of the fracture location and the mode of failure on the load direction with respect to the layer direction in conjunction with the heat treatment. At elevated temperature of 750° all specimens broke in the base material of 2.4630 in ductile fracture mode. Strength measured supersedes the values of either of the base materials.

  17. Megasonic cleaning, cavitation, and substrate damage: an atomistic approach (United States)

    Kapila, Vivek; Deymier, Pierre A.; Shende, Hrishikesh; Pandit, Viraj; Raghavan, Srini; Eschbach, Florence O.


    Megasonic cleaning has been a traditional approach for the cleaning of photomasks. Its feasibility as a damage free approach to sub 50 nm particulate removal is under investigation for the cleaning of optical and EUV photomasks. Two major mechanisms are active in a megasonic system, namely, acoustic streaming and acoustic cavitation. Acoustic streaming is instrumental in contaminant removal via application of drag force and rolling of particles, while cavitation may dislodge particles by the release of large energy during cavity implosion or by acting as a secondary source of microstreaming. Often times, the structures (substrates with or without patterns) subjected to megasonic cleaning show evidence of damage. This is one of the impediments in the implementation of megasonic technology for 45 nm and future technology nodes. Prior work suggests that acoustic streaming does not lead to sufficiently strong forces to cause damage to the substrates or patterns. However, current knowledge of the effects of cavitation on cleaning and damage can be described, at best, as speculative. Recent experiments suggest existence of a cavity size and energy distributions in megasonic systems that may be responsible for cleaning and damage. In the current work, we develop a two-dimensional atomistic model to study such multibubble cavitation phenomena. The model consists of a Lennard-Jones liquid which is subjected to sinusoidal pressure changes leading to the formation of cavitation bubbles. The current work reports on the effects of pressure amplitude (megasonic power) and frequency on cavity size distributions in vaporous and gaseous cavitation. The findings of the work highlight the role of multibubble cavitation as cleaning and damage mechanism in megasonic cleaning.

  18. Characterisation of the mechanical and fracture properties of a uni-weave carbon fibre/epoxy non-crimp fabric composite

    Directory of Open Access Journals (Sweden)

    Thomas Bru


    Full Text Available A complete database of the mechanical properties of an epoxy polymer reinforced with uni-weave carbon fibre non-crimp fabric (NCF is established. In-plane and through-the-thickness tests were performed on unidirectional laminates under normal loading and shear loading. The response under cyclic shear loading was also measured. The material has been characterised in terms of stiffness, strength, and failure features for the different loading cases. The critical energy release rates associated with different failure modes in the material were measured from interlaminar and translaminar fracture toughness tests. The stress–strain data of the tensile, compressive, and shear test specimens are included. The load–deflection data for all fracture toughness tests are also included. The database can be used in the development and validation of analytical and numerical models of fibre reinforced plastics (FRPs, in particular FRPs with NCF reinforcements.

  19. Rotational viscosity of a liquid crystal mixture:a fully atomistic molecular dynamics study

    Institute of Scientific and Technical Information of China (English)

    Zhang Ran; Peng Zeng-Hui; Liu Yong-Gang; Zheng Zhi-Gang; Xuan Li


    Fully atomistic molecular dynamics(MD)simulations at 293, 303 and 313 K have been performed for the four. component liquid crystal mixture, E7, using the software package Material Studio. Order parameters and orientational time correlation functions(TCFs)were calculated from MD trajectories. The rotational viscosity coefficients(RVCs)of the mixture were ca]culated using the Nemtsov-Zakharov and Fialkowski methods based on statistical-mechanical approaches. Temperature dependences of RVC and density were discussed in detall. Reasonable agreement between the simulated and experimental values was found.

  20. Elastic behavior of amorphous-crystalline silicon nanocomposite: An atomistic view (United States)

    Das, Suvankar; Dutta, Amlan


    In the context of mechanical properties, nanocomposites with homogeneous chemical composition throughout the matrix and the dispersed phase are of particular interest. In this study, the elastic moduli of amorphous-crystalline silicon nanocomposite have been estimated using atomistic simulations. A comparison with the theoretical model reveals that the elastic behavior is significantly influenced by the crystal-amorphous interphase. On observing the effect of volume-fraction of the crystalline phase, an anomalous trend for the bulk modulus is obtained. This phenomenon is attributed to the relaxation displacements of the amorphous atoms.

  1. Atomistic formulas for local properties in systems with many-body interactions (United States)

    Hardy, Robert J.


    Atomistic formulas are derived for the local densities and fluxes used in the continuum description of energy and momentum transport. Two general methods for the distribution of potential energy among a system's constituent particles are presented and analyzed. The resulting formulas for the heat flux and stress tensor and the equations for energy and momentum transport are exact consequences of the definitions of the densities and the equations of classical mechanics. The formulas and equations obtained are valid for systems with very general types of many-body interactions.

  2. Mechanical performance of external fixators with wires for the treatment of bone fractures--Part I: Load-displacement behavior. (United States)

    Delprete, C; Gola, M M


    Using matrix algebra, a mathematical model is formulated for a particular type of external fixator with wires (system developed by Ilizarov) for the treatment of bone fractures. The mathematical model is used to give a linear estimate of the stiffness under lateral and axial loads in a representative number of practical conditions. Relative displacements of the bone ends at the fracture site are calculated not only in the common case of a gap, but also for various angles of inclined sliding contact; in this case, a realistic load is applied and nonlinear stiffening of the wires under transversal loads is iteratively taken into account.

  3. [Atlas fractures]. (United States)

    Schären, S; Jeanneret, B


    Fractures of the atlas account for 1-2% of all vertebral fractures. We divide atlas fractures into 5 groups: isolated fractures of the anterior arch of the atlas, isolated fractures of the posterior arch, combined fractures of the anterior and posterior arch (so-called Jefferson fractures), isolated fractures of the lateral mass and fractures of the transverse process. Isolated fractures of the anterior or posterior arch are benign and are treated conservatively with a soft collar until the neck pain has disappeared. Jefferson fractures are divided into stable and unstable fracture depending on the integrity of the transverse ligament. Stable Jefferson fractures are treated conservatively with good outcome while unstable Jefferson fractures are probably best treated operatively with a posterior atlanto-axial or occipito-axial stabilization and fusion. The authors preferred treatment modality is the immediate open reduction of the dislocated lateral masses combined with a stabilization in the reduced position using a transarticular screw fixation C1/C2 according to Magerl. This has the advantage of saving the atlanto-occipital joints and offering an immediate stability which makes immobilization in an halo or Minerva cast superfluous. In late instabilities C1/2 with incongruency of the lateral masses occurring after primary conservative treatment, an occipito-cervical fusion is indicated. Isolated fractures of the lateral masses are very rare and may, if the lateral mass is totally destroyed, be a reason for an occipito-cervical fusion. Fractures of the transverse processes may be the cause for a thrombosis of the vertebral artery. No treatment is necessary for the fracture itself.

  4. Experimental-numerical analysis of the fracture mechanic in polymeric materials; Analisis numerico-experimental de la mecanica de la fractura en materiales polimeros

    Energy Technology Data Exchange (ETDEWEB)

    Beltran Fernandez, Juan Alfonso; Hernandez Gomez, Luis H; Urriolagoitia Calderon, Guillermo; Villa y Rabasa, Gabriel; Rodriguez, Gustavo Ricardo; Mendoza Nunez, Maribel A [Instituto Politecnico Nacional, Zacatenco (Mexico)


    In this piece of work some fracture testings on specimens with a lateral fracture are made to analyze the resultant stress state around of the tip of the fracture and the way in which the strength of the material is modified to get the fracture toughness, to the load mode I. Also, it is explained the way in which mechanic properties were got in the Polymetil-Methacylate, (PMMA), such as: modulus of elasticity, maximum tensile stress, yielding stress and stress-unitary strain, stress-rate and strain-rate curves, throughout of the carry out of the tensile testing. With the objective to know the real mechanical behavior with the initial loading conditions established and different testing velocities. All and each one of the results are calculated experimental and numerically and validated throughout of the finite element method, using the software ANSYS 5.5.3. [Spanish] En este trabajo se efectuan pruebas de fractura en especimenes con una grieta lateral, para analizar el estado de esfuerzos resultantes alrededor de la punta de la grieta y la forma en que se afecta la resistencia del material a fin de obtener la tenacidad de fractura para el modo de carga I. Ademas, se explica la forma como se obtienen las propiedades mecanicas en el polimetil metacrilato (PMMA), tales como: modulo de elasticidad, esfuerzo normal maximo, esfuerzo de cadencia y las curvas esfuerzo-deformacion unitaria, esfuerzo-tiempo (stress-rate) y deformacion-tiempo (strain-rate), a traves de la realizacion de la prueba de tension. Se busca conocer el comportamiento mecanico real ante las condiciones de carga establecidas y a distintas velocidades de prueba. Todo y cada uno de los resultados se efectuan de manera experimental y son evaluados numericamente a traves del metodo del elemento finito, con el programa ANSYS 5.5.3.

  5. Atomistic simulations of pristine and defective hexagonal BN and SiC sheets under uniaxial tension

    Energy Technology Data Exchange (ETDEWEB)

    Le, Minh-Quy, E-mail: [Department of Mechanics of Materials and Structures, School of Mechanical Engineering, Hanoi University of Science and Technology, No. 1, Dai Co Viet Road, Hanoi (Viet Nam); International Institute for Computational Science and Engineering, Hanoi University of Science and Technology, No. 1, Dai Co Viet Road, Hanoi (Viet Nam); Nguyen, Danh-Truong [Department of Mechanics of Materials and Structures, School of Mechanical Engineering, Hanoi University of Science and Technology, No. 1, Dai Co Viet Road, Hanoi (Viet Nam)


    The uniaxial tensile mechanical properties of pristine and defective hexagonal boron nitride (BN) and silicon carbide (SiC) sheets are investigated through a molecular dynamics finite element method with Tersoff and Tersoff-like potentials. 2-Atom vacancy and 2 types of Stone–Wales defects are considered. It is found that uniaxial tensile stress–strain curves of defective and pristine sheets are almost identical up to fracture points. A centered single defect reduces significantly fracture stress and fracture strain from those of the corresponding pristine sheet. In contrast, Young's modulus is nearly unchanged by a single defect. One 2-atom vacancy in the sheet's center reduces 15–18% and 16–25% in fracture stress, and 32–34% and 32–48% in fracture strain of BN and SiC sheets, respectively. Reduction in fracture properties depends on the tensile direction as well as the orientation of Stone–Wales defects.

  6. An object oriented Python interface for atomistic simulations (United States)

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


    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.