The interactions of radiation damage with grain boundaries

International Nuclear Information System (INIS)

King, A.H.

1979-01-01

This thesis reports a theoretical and experimental study of the fundamental effects giving rise to zones adjacent to grain boundaries which are denuded of irradiation-induced damage. The results, however, have significance in the wider field of point-defect absorption (and emission) by grain boundaries. Particular emphasis has been laid upon correlating the point-defect sink behaviour of grain boundaries with their structures and to this end, grain boundaries with periodically repeating structures have been chosen for study. The hypotheses that point-defect absorption is achieved by the climb of grain boundary dislocation spirals, loops and structural arrays have been investigated and firm evidence has been found to support the two latter mechanisms in specific cases. Loops, in particular, have been found to grow only on coherent twin boundary planes. Chapter two of the thesis investigates the crystallographic nature of the possible reactions of point-defects with periodic boundaries and demonstrates that effects such as grain boundary migration and grain translations may be associated with point-defect absorption. Chapter three presents a theoretical study of the effects of elastic interactions between point-defects and grain boundary dislocations and gives predictions of sink strength and bias of a grain boundary as a function of its structure. Chapter four consists of experimental examples of grain boundaries observed during and after irradiation. Chapter five discusses the results of chapters two, three and four considering their implications for the various hypotheses and presents the conclusions of the thesis and some suggestions for further work. (author)

Dislocation nucleation from symmetric tilt grain boundaries in body-centered cubic vanadium

Science.gov (United States)

Xu, Shuozhi; Su, Yanqing

2018-05-01

We perform molecular dynamics (MD) simulations with two interatomic potentials to study dislocation nucleation from six symmetric tilt grain boundaries (GB) using bicrystal models in body-centered cubic vanadium. The influences of the misorientation angle are explored in the context of activated slip systems, critical resolved shear stress (CRSS), and GB energy. It is found that for four GBs, the activated slip systems are not those with the highest Schmid factor, i.e., the Schmid law breaks down. For all misorientation angles, the bicrystal is associated with a lower CRSS than their single crystalline counterparts. Moreover, the GB energy decreases in compressive loading at the yield point with respect to the undeformed configuration, in contrast to tensile loading.

Dislocation content of geometrically necessary boundaries aligned with slip planes in rolled aluminium

DEFF Research Database (Denmark)

Hong, Chuanshi; Huang, Xiaoxu; Winther, Grethe

2013-01-01

Previous studies have revealed that dislocation structures in metals with medium-to-high stacking fault energy, depend on the grain orientation and therefore on the slip systems. In the present work, the dislocations in eight slip-plane-aligned geometrically necessary boundaries (GNBs) in three...... expected active dominate. The dislocations predicted inactive are primarily attributed to dislocation reactions in the boundary. Two main types of dislocation networks in the boundaries were identified: (1) a hexagonal network of the three dislocations in the slip plane with which the boundary was aligned......; two of these come from the active slip systems, the third is attributed to dislocation reactions (2) a network of three dislocations from both of the active slip planes; two of these react to form Lomer locks. The results indicate a systematic boundary formation process for the GNBs. Redundant...

Influence of competition between intragranular dislocation nucleation and intergranular slip transfer on mechanical properties of ultrafine-grained metals

International Nuclear Information System (INIS)

Tsuru, Tomohito; Kaji, Yoshiyuki; Aoyagi, Yoshiteru; Shimokawa, Tomotsugu

2013-01-01

Huge-scale atomistic simulations of shear deformation tests to the aluminum polycrystalline thin film containing the Frank-Read source are performed to elucidate the relationship between the inter- and intragranular plastic deformation processes and the mechanical properties of ultrafine-grained metals. Two-types of polycrystalline models, which consist of several grain boundaries reproducing easy and hard slip transfer, respectively, are prepared to investigate the effect of grain boundary on flow stress. While the first plastic deformation occurs by the dislocation bow-out motion within the grain region for both models, the subsequent plastic deformation is strongly influenced by the resistance of the slip transfer by dislocation transmission through grain boundaries. The influence of the competition between the intragranular dislocation nucleation and intergranular slip transfer on the material strength is considered. The nanostructured material's strength depending on local defect structures associated with grain size and dislocation source length is assessed quantitatively. (author)

Effects of Grain Boundaries and Dislocation Cell Walls on Void Nucleation and Growth in Aluminium during Fast Neutron Irradiation

DEFF Research Database (Denmark)

Horsewell, Andy; Rahman, F. A.; Singh, Bachu Narain

1983-01-01

and growth occurs in a zone extending up to 10 mu m from grain boundaries in annealed material. In polygonized material, the presence of dislocation cell walls leads to cell size dependent void formation and growth; the swelling rate in the large cells is substantially higher than in the annealed material....

Migration energy barriers of symmetric tilt grain boundaries in body-centered cubic metal Fe

International Nuclear Information System (INIS)

Wu, Minghui; Gu, Jianfeng; Jin, Zhaohui

2015-01-01

Graphical abstract: DFT calculated migration energy barrier (left) for symmetric grain boundary in metals is an essential physical property to measure the trend of grain boundary migration, in particular, in terms of the classical homogeneous nucleation model of GB dislocation/disconnection loops (right). - Migration energy barriers of two symmetric tilt grain boundaries in body-centered cubic metal Fe are obtained via first-principles calculations in combination with the nudged elastic band methods. Although the two grain boundaries show similar grain boundary energies, the migration energy barriers are different. Based on a homogeneous nucleation theory of grain-boundary dislocation loops, the calculated energy barrier provides a measure of intrinsic grain-boundary mobility and helps to evaluate effects due to vacancy and interstitial atoms such as carbon

Grain boundaries in Ni3Al. 2

International Nuclear Information System (INIS)

Kung, H.; Sass, S.L.

1992-01-01

This paper discusses the dislocation structure of small angle tilt and twist boundaries in ordered Ni 3 Al, with and without boron, investigated using transmission electron microscopy. Dislocation with Burgers vectors that correspond to anti-phase boundary (APB)-coupled superpartials were found in small angle twist boundaries in both boron-free and boron-doped Ni 3 Al, and a small angle tilt boundary in boron-doped Ni 3 Al. The boundary structures are in agreement with theoretical models proposed by Marcinkowski and co-workers. The APB energy determined from the dissociation of the grain boundary dislocations was lower than values reported for isolated APBs in Ni 3 Al. For small angle twist boundaries the presence of boron reduced the APB energy at the interface until it approached zero. This is consistent with the structure of these boundaries containing small regions of increased compositional disorder in the first atomic plane next to the interface

Slip patterns and preferred dislocation boundary planes

DEFF Research Database (Denmark)

Winther, G.

2003-01-01

The planes of deformation induced extended planar dislocation boundaries are analysed in two different co-ordinate systems, namely the macroscopic system defined by the deformation axes and the crystallographic system given by the crystallographic lattice. The analysis covers single and polycryst......The planes of deformation induced extended planar dislocation boundaries are analysed in two different co-ordinate systems, namely the macroscopic system defined by the deformation axes and the crystallographic system given by the crystallographic lattice. The analysis covers single...... and polycrystals of fcc metals in three deformation modes (rolling, tension and torsion). In the macroscopic system, boundaries lie close to the macroscopically most stressed planes. In the crystallographic system, the boundary plane depends on the grain/crystal orientation. The boundary planes in both co......-ordinate systems are rationalised based on the slip. The more the slip is concentrated on a slip plane, the closer the boundaries lie to this. The macroscopic preference arises from the macroscopic directionality of the slip. The established relations are applied to (a) prediction of boundary planes from slip...

Investigation of slip transfer across HCP grain boundaries with application to cold dwell facet fatigue

International Nuclear Information System (INIS)

Zheng, Zebang; Balint, Daniel S.; Dunne, Fionn P.E.

2017-01-01

This paper addresses the role of grain boundary slip transfer and thermally-activated discrete dislocation plasticity in the redistribution of grain boundary stresses during cold dwell fatigue in titanium alloys. Atomistic simulations have been utilised to calculate the grain boundary energies for titanium with respect to the misorientation angles. The grain boundary energies are utilised within a thermally-activated discrete dislocation plasticity model incorporating slip transfer controlled by energetic and grain boundary geometrical criteria. The model predicts the grain size effect on the flow strength in Ti alloys. Cold dwell fatigue behaviour in Ti-6242 alloy is investigated and it is shown that significant stress redistribution from soft to hard grains occurs during the stress dwell, which is observed both for grain boundaries for which slip transfer is permitted and inhibited. However, the grain boundary slip penetration is shown to lead to significantly higher hard-grain basal stresses near the grain boundary after dwell, thus exacerbating the load shedding stress compared to an impenetrable grain boundary. The key property controlling the dwell fatigue response is argued to remain the time constant associated with the thermal activation process for dislocation escape, but the slip penetrability is also important and exacerbates the load shedding. The inclusion of a macrozone does not significantly change the conclusions but does potentially lead to the possibility of a larger initial facet.

A constitutive model of nanocrystalline metals based on competing grain boundary and grain interior deformation mechanisms

KAUST Repository

Gurses, Ercan

2011-12-01

In this work, a viscoplastic constitutive model for nanocrystalline metals is presented. The model is based on competing grain boundary and grain interior deformation mechanisms. In particular, inelastic deformations caused by grain boundary diffusion, grain boundary sliding and dislocation activities are considered. Effects of pressure on the grain boundary diffusion and sliding mechanisms are taken into account. Furthermore, the influence of grain size distribution on macroscopic response is studied. The model is shown to capture the fundamental mechanical characteristics of nanocrystalline metals. These include grain size dependence of the strength, i.e., both the traditional and the inverse Hall-Petch effects, the tension-compression asymmetry and the enhanced rate sensitivity. © 2011 Elsevier B.V. All rights reserved.

Grain-size dependent accommodation due to intragranular distributions of dislocation loops

International Nuclear Information System (INIS)

Richeton, T.; Berbenni, S.; Berveiller, M.

2009-01-01

A grain-size dependent accommodation law for polycrystals is deduced from an inclusion/matrix problem (i.e., each grain is seen as embedded in a homogeneous equivalent medium) where plastic strain inside the inclusion is given as a discrete distribution of circular coaxial glide dislocation loops. The loops are assumed constrained at spherical grain boundaries. From thermodynamic considerations specific to a process of identical plastification in all the loops (considered as 'super-dislocations'), an average back-stress over the grain is derived. In order to compute the very early stages of plastic deformation in a face-centred cubic polycrystal, this back-stress is incorporated into a diluted model in terms of concentration of plastic grains. Contrary to conventional mean-field approaches, a grain-size effect is obtained for the initial overall strain-hardening behaviour. This size effect results from an intrinsic contribution of intragranular slip heterogeneities on the kinematical hardening

Structural evolution of a deformed Σ=9 (122) grain boundary in silicon. A high resolution electron microscopy study

International Nuclear Information System (INIS)

Putaux, Jean-Luc

1991-01-01

This research thesis addresses the study by high resolution electron microscopy of the evolution of a silicon bi-crystal under deformation at different temperatures. The author notably studied the structural evolution of the boundary as well as that of grains at the vicinity of the boundary. Two observation scales have been used: the evolution of sub-structures of dislocations induced by deformation in grains and in boundary, and the structure of all defects at an atomic scale. After a presentation of experimental tools (the necessary perfect quality of the electronic optics is outlined), the author recalls some descriptive aspects of grain boundaries (geometric network concepts to describe coinciding networks, concepts of delimiting boundaries and of structural unit to describe grain boundary atomic structure), recalls the characteristics of the studied bi-crystal, and the conditions under which it is deformed. He presents the structures of all perfectly coinciding boundaries, describes defects obtained by deformation at the vicinity of the boundary, describes the entry of dissociated dislocations into the boundaries, and discusses the characterization of boundary dislocations (the notion of Burgers vector is put into question again), and the atomic mechanism of displacement of dislocations in boundaries [fr

Three dimensional grain boundary modeling in polycrystalline plasticity

Science.gov (United States)

Yalçinkaya, Tuncay; Özdemir, Izzet; Fırat, Ali Osman

2018-05-01

At grain scale, polycrystalline materials develop heterogeneous plastic deformation fields, localizations and stress concentrations due to variation of grain orientations, geometries and defects. Development of inter-granular stresses due to misorientation are crucial for a range of grain boundary (GB) related failure mechanisms, such as stress corrosion cracking (SCC) and fatigue cracking. Local crystal plasticity finite element modelling of polycrystalline metals at micron scale results in stress jumps at the grain boundaries. Moreover, the concepts such as the transmission of dislocations between grains and strength of the grain boundaries are not included in the modelling. The higher order strain gradient crystal plasticity modelling approaches offer the possibility of defining grain boundary conditions. However, these conditions are mostly not dependent on misorientation of grains and can define only extreme cases. For a proper definition of grain boundary behavior in plasticity, a model for grain boundary behavior should be incorporated into the plasticity framework. In this context, a particular grain boundary model ([l]) is incorporated into a strain gradient crystal plasticity framework ([2]). In a 3-D setting, both bulk and grain boundary models are implemented as user-defined elements in Abaqus. The strain gradient crystal plasticity model works in the bulk elements and considers displacements and plastic slips as degree of freedoms. Interface elements model the plastic slip behavior, yet they do not possess any kind of mechanical cohesive behavior. The physical aspects of grain boundaries and the performance of the model are addressed through numerical examples.

Characterisation of multicrystalline silicon solar cells. Development of characterisation method for the combined effect of dislocations and grain boundaries on the minority carrier lifetime

Energy Technology Data Exchange (ETDEWEB)

Stokkan, Gaute

2004-07-01

The thesis has sections on theoretical background, mathematical models, experimental work such as lifetime measurements, dislocation density and grain boundary mapping, simulation of electrical activity mapping and conclusions and future work. Various mathematical models and nafion surface passivation are studied as well.

The shear response of copper bicrystals with Σ11 symmetric and asymmetric tilt grain boundaries by molecular dynamics simulation

Science.gov (United States)

Zhang, Liang; Lu, Cheng; Tieu, Kiet; Zhao, Xing; Pei, Linqing

2015-04-01

Grain boundaries (GBs) are important microstructure features and can significantly affect the properties of nanocrystalline materials. Molecular dynamics simulation was carried out in this study to investigate the shear response and deformation mechanisms of symmetric and asymmetric Σ11 tilt GBs in copper bicrystals. Different deformation mechanisms were reported, depending on GB inclination angles and equilibrium GB structures, including GB migration coupled to shear deformation, GB sliding caused by local atomic shuffling, and dislocation nucleation from GB. The simulation showed that migrating Σ11(1 1 3) GB under shear can be regarded as sliding of GB dislocations and their combination along the boundary plane. A non-planar structure with dissociated intrinsic stacking faults was prevalent in Σ11 asymmetric GBs of Cu. This type of structure can significantly increase the ductility of bicrystal models under shear deformation. A grain boundary can be a source of dislocation and migrate itself at different stress levels. The intrinsic free volume involved in the grain boundary area was correlated with dislocation nucleation and GB sliding, while the dislocation nucleation mechanism can be different for a grain boundary due to its different equilibrium structures.Grain boundaries (GBs) are important microstructure features and can significantly affect the properties of nanocrystalline materials. Molecular dynamics simulation was carried out in this study to investigate the shear response and deformation mechanisms of symmetric and asymmetric Σ11 tilt GBs in copper bicrystals. Different deformation mechanisms were reported, depending on GB inclination angles and equilibrium GB structures, including GB migration coupled to shear deformation, GB sliding caused by local atomic shuffling, and dislocation nucleation from GB. The simulation showed that migrating Σ11(1 1 3) GB under shear can be regarded as sliding of GB dislocations and their combination along the

Diffuse-interface polycrystal plasticity: expressing grain boundaries as geometrically necessary dislocations

Science.gov (United States)

Admal, Nikhil Chandra; Po, Giacomo; Marian, Jaime

2017-12-01

The standard way of modeling plasticity in polycrystals is by using the crystal plasticity model for single crystals in each grain, and imposing suitable traction and slip boundary conditions across grain boundaries. In this fashion, the system is modeled as a collection of boundary-value problems with matching boundary conditions. In this paper, we develop a diffuse-interface crystal plasticity model for polycrystalline materials that results in a single boundary-value problem with a single crystal as the reference configuration. Using a multiplicative decomposition of the deformation gradient into lattice and plastic parts, i.e. F( X,t)= F L( X,t) F P( X,t), an initial stress-free polycrystal is constructed by imposing F L to be a piecewise constant rotation field R 0( X), and F P= R 0( X)T, thereby having F( X,0)= I, and zero elastic strain. This model serves as a precursor to higher order crystal plasticity models with grain boundary energy and evolution.

Multiple dislocation pile-ups in small grains at small strains: implications for the Hall-Petch relationship and backstress screening

International Nuclear Information System (INIS)

Schouwenaars, R; Jacobo, V H; Ortiz, A

2014-01-01

A classic explanation for the Hall-Petch relationship is given by the stress field of a single dislocation pile-up perpendicular to the grain boundary. Similarly, the gradual compensation of the stress fields of pile-ups on both sides of the boundary has been invoked to explain the transitory effects observed in the stress- strain curves of ultrafine grained polycrystals. This paper studies the effects of introducing deviations of the highly simplified geometry mentioned above, using the proper mathematical approximations of linear elastic dislocation theory. Multiple pile-ups invalidate the conclusions drawn from the single pile-up model. Pile-ups in multiple grains are assessed by a highly idealised model of an infinite array of periodical pile-ups. In the latter case, screening is always perfect. By considering the Peach-Köhler force between dislocations mutually disoriented grains, the magnitude of the fluctuations around such ideal case can be estimated. However, using sound probabilistic arguments to calculate the free path for dislocation slip in fine-grained polycrystals, it is found that the amount of dislocations that can be stored in the pile- ups is generally too small to explain the strong grain size effects observed experimentally

High angle grain boundaries as sources or sinks for point defects

Energy Technology Data Exchange (ETDEWEB)

Balluffi, R.W.

1979-09-01

A secondary grain boundary dislocation climb model for high angle grain boundaries as sources/sinks for point defects is described in the light of recent advances in our knowledge of grain boundary structure. Experimental results are reviewed and are then compared with the expected behavior of the proposed model. Reasonably good consistency is found at the level of our present understanding of the subject. However, several gaps in our present knowledge still exist, and these are identified and discussed briefly.

The effect of inclination angle on the plastic deformation behavior of bicrystalline silver nanowires with Σ3 asymmetric tilt grain boundaries

Energy Technology Data Exchange (ETDEWEB)

Yuan, Lin, E-mail: yuanlin@hit.edu.cn [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); National Key Laboratory for Precision Hot Processing of Metals, Harbin 150001 (China); Jing, Peng; Shan, Debin; Guo, Bin [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); National Key Laboratory for Precision Hot Processing of Metals, Harbin 150001 (China)

2017-01-15

Atomistic simulations were used to investigate the plastic deformation behavior of bicrystalline silver nanowires with Σ3 asymmetric tilt grain boundaries at 0.1 K. The calculated grain boundary energies of Σ3 asymmetric tilt grain boundaries corresponded well with the energies measured in experiments and predicted by the theoretical description. The Σ3 asymmetric tilt grain boundaries with low inclination angles were composed of a replication of twin boundary segments separated by small ledges. The results demonstrated that the combination effect of Schmid factor and non-Schmid factors could explain dislocations emission into grain 1 only in models with low inclination angles (< 64.76°). At the latter stage of plastic deformation, free surfaces served as additional dislocation sources. Parallelly arranged operative slip systems were the fundamental features of plastic deformation. In addition, a number of stacking faults and multiple stacking faults were formed during plastic deformation. The hindrance of stacking faults to dislocation motion and the interactions between dislocations leaded to the observed strain hardening in nanowires with inclination angles at and above 29.50°. The low stacking fault energy of silver was responsible for the appearance of strain hardening. Dislocations emitted from grain 2 interacted with each other contributing to the observed strain hardening. Grain boundaries were completely eliminated by successive emission of dislocations from grain boundaries in nanowires with an inclination angle of 35.26° and 54.74°. A detailed understanding of the relationship between strength and grain boundary structures as well as specific plastic deformation would push forward the application of nanocrystalline materials and provide insights into the synthesis of nanocrystalline materials with superior strength and ductility.

Prediction of dislocation boundary characteristics

DEFF Research Database (Denmark)

Winther, Grethe

Plastic deformation of both fcc and bcc metals of medium to high stacking fault energy is known to result in dislocation patterning in the form of cells and extended planar dislocation boundaries. The latter align with specific crystallographic planes, which depend on the crystallographic......) and it is found that to a large extent the dislocations screen each other’s elastic stress fields [3]. The present contribution aims at advancing the previous theoretical analysis of a boundary on a known crystallographic plane to actual prediction of this plane as well as other boundary characteristics....... Crystal plasticity calculations combined with the hypothesis that these boundaries separate domains with local differences in the slip system activity are introduced to address precise prediction of the experimentally observed boundaries. The presentation will focus on two cases from fcc metals...

Detection of grain-boundary resistance to slip transfer using nanoindentation

NARCIS (Netherlands)

Soer, WA; De Hosson, JTM

2005-01-01

Nanoindentation measurements near a high-angle grain boundary in a Fe-14%Si bicrystal showed dislocation pile-up and transmission across the boundary. The latter is observed as a characteristic displacement jump, from which the Hall-Petch slope can be calculated as a measure for the slip

Grain boundary motion and grain rotation in aluminum bicrystals: recent experiments and simulations

International Nuclear Information System (INIS)

Molodov, D A; Barrales-Mora, L A; Brandenburg, J-E

2015-01-01

The results of experimental and computational efforts over recent years to study the motion of geometrically different grain boundaries and grain rotation under various driving forces are briefly reviewed. Novel in-situ measuring techniques based on orientation contrast imaging and applied simulation techniques are described. The experimental results obtained on specially grown aluminum bicrystals are presented and discussed. Particularly, the faceting and migration behavior of low angle grain boundaries under the curvature force is addressed. In contrast to the pure tilt boundaries, which remained flat/faceted and immobile during annealing at elevated temperatures, mixed tilt-twist boundaries readily assumed a curved shape and steadily moved under the capillary force. Computational analysis revealed that this behavior is due to the inclinational anisotropy of grain boundary energy, which in turn depends on boundary geometry. The shape evolution and shrinkage kinetics of cylindrical grains with different tilt and mixed boundaries were studied by molecular dynamics simulations. The mobility of low angle <100> boundaries with misorientation angles higher than 10°, obtained by both the experiments and simulations, was found not to differ from that of the high angle boundaries, but decreases essentially with further decrease of misorientation. The shape evolution of the embedded grains in simulations was found to relate directly to results of the energy computations. Further simulation results revealed that the shrinkage of grains with pure tilt boundaries is accompanied by grain rotation. In contrast, grains with the tilt-twist boundaries composed of dislocations with the mixed edge-screw character do not rotate during their shrinkage. Stress driven boundary migration in aluminium bicrystals was observed to be coupled to a tangential translation of the grains. The activation enthalpy of high angle boundary migration was found to vary non-monotonically with

Grain-boundary free energy in an assembly of elastic disks.

Science.gov (United States)

Lusk, Mark T; Beale, Paul D

2004-02-01

Grain-boundary free energy is estimated as a function of misoriention for symmetric tilt boundaries in an assembly of nearly hard disks. Fluctuating cell theory is used to accomplish this since the most common techniques for calculating interfacial free energy cannot be applied to such assemblies. The results are analogous to those obtained using a Leonard-Jones potential, but in this case the interfacial energy is dominated by an entropic contribution. Disk assemblies colorized with free and specific volume elucidate differences between these two characteristics of boundary structure. Profiles are also provided of the Helmholtz and Gibbs free energies as a function of distance from the grain boundaries. Low angle grain boundaries are shown to follow the classical relationship between dislocation orientation/spacing and misorientation angle.

EBSD analysis of subgrain boundaries and dislocation slip systems in Antarctic and Greenland ice

Science.gov (United States)

Weikusat, Ilka; Kuiper, Ernst-Jan N.; Pennock, Gill M.; Kipfstuhl, Sepp; Drury, Martyn R.

2017-09-01

Ice has a very high plastic anisotropy with easy dislocation glide on basal planes, while glide on non-basal planes is much harder. Basal glide involves dislocations with the Burgers vector b = 〈a〉, while glide on non-basal planes can involve dislocations with b = 〈a〉, b = [c], and b = 〈c + a〉. During the natural ductile flow of polar ice sheets, most of the deformation is expected to occur by basal slip accommodated by other processes, including non-basal slip and grain boundary processes. However, the importance of different accommodating processes is controversial. The recent application of micro-diffraction analysis methods to ice, such as X-ray Laue diffraction and electron backscattered diffraction (EBSD), has demonstrated that subgrain boundaries indicative of non-basal slip are present in naturally deformed ice, although so far the available data sets are limited. In this study we present an analysis of a large number of subgrain boundaries in ice core samples from one depth level from two deep ice cores from Antarctica (EPICA-DML deep ice core at 656 m of depth) and Greenland (NEEM deep ice core at 719 m of depth). EBSD provides information for the characterization of subgrain boundary types and on the dislocations that are likely to be present along the boundary. EBSD analyses, in combination with light microscopy measurements, are presented and interpreted in terms of the dislocation slip systems. The most common subgrain boundaries are indicative of basal 〈a〉 slip with an almost equal occurrence of subgrain boundaries indicative of prism [c] or 〈c + a〉 slip on prism and/or pyramidal planes. A few subgrain boundaries are indicative of prism 〈a〉 slip or slip of 〈a〉 screw dislocations on the basal plane. In addition to these classical polygonization processes that involve the recovery of dislocations into boundaries, alternative mechanisms are discussed for the formation of subgrain boundaries that are not related to the

Grain-boundary sliding in a TiAl alloy with fine-grained duplex microstructure during 750 deg. C creep

Energy Technology Data Exchange (ETDEWEB)

Peter, D. [Ruhr University Bochum, Institute for Materials, D-44780 Bochum (Germany); Viswanathan, G.B., E-mail: Viswanathan.11@osu.edu [Ruhr University Bochum, Institute for Materials, D-44780 Bochum (Germany) and Department of Materials Science and Engineering, Ohio State University, Columbus, OH 43210 (United States); Wagner, M.F.-X.; Eggeler, G. [Ruhr University Bochum, Institute for Materials, D-44780 Bochum (Germany)

2009-06-15

Constant-load creep experiments at a temperature of 750 deg. C and a nominal stress of 300 MPa were conducted on a fine-grained Ti-45Al-5Nb-0.2B-0.2C (in at.%) alloy with a duplex microstructure. Microstructures before and after creep (accumulated strain: 9.6%) were analyzed using scanning and transmission electron microscopy (SEM and TEM). TEM analysis after creep indicates that the individual microstructural constituents of the fine duplex microstructure, namely, the equiaxed {gamma} and the lamellar {alpha}{sub 2}/{gamma} colonies, undergo varying degrees of deformation and develop various substructures. Lamellar grains deform by dislocation creep. They show clear evidence for dislocation and twin activity. In contrast, only few dislocations are found in the equiaxed grains. We show that the regions with small equiaxed {gamma} grains, representing 65-75 vol.% of the microstructure, deform by grain-boundary sliding.

Grain-boundary sliding in a TiAl alloy with fine-grained duplex microstructure during 750 deg. C creep

International Nuclear Information System (INIS)

Peter, D.; Viswanathan, G.B.; Wagner, M.F.-X.; Eggeler, G.

2009-01-01

Constant-load creep experiments at a temperature of 750 deg. C and a nominal stress of 300 MPa were conducted on a fine-grained Ti-45Al-5Nb-0.2B-0.2C (in at.%) alloy with a duplex microstructure. Microstructures before and after creep (accumulated strain: 9.6%) were analyzed using scanning and transmission electron microscopy (SEM and TEM). TEM analysis after creep indicates that the individual microstructural constituents of the fine duplex microstructure, namely, the equiaxed γ and the lamellar α 2 /γ colonies, undergo varying degrees of deformation and develop various substructures. Lamellar grains deform by dislocation creep. They show clear evidence for dislocation and twin activity. In contrast, only few dislocations are found in the equiaxed grains. We show that the regions with small equiaxed γ grains, representing 65-75 vol.% of the microstructure, deform by grain-boundary sliding.

Grain boundaries and defects in superconducting Bi-Sr-Ca-Cu-O ceramics

International Nuclear Information System (INIS)

Ramesh, R.; Bagley, B.G.; Tarascon, J.M.; Green, S.M.; Rudee, M.L.; Luo, H.L.

1990-01-01

Defects and structural interfaces in superconducting Bi-Sr-Ca-Cu-O have been characterized by transmission electron microscopy. The superconducting phase exhibits frequent variations in the stacking sequence (polytypoids). Dislocations, observed inside the grains, either introduce or accommodate the shear in the a-b plane and the local composition fluctuations. In general, the grains exhibit a platelike morphology with the a-b plane as the grain boundary plane. Grain boundaries along the short edge are generally disordered, whereas those near the long edge generally have a thin layer of the lower T c polytypoid. Coherent intragranular boundaries are also observed

Structure of grain boundaries in hexagonal materials

International Nuclear Information System (INIS)

Sarrazit, F.

1998-05-01

The work presented in this thesis describes experimental and theoretical aspects associated with the structure of grain boundaries in hexagonal materials. It has been found useful to classify grain boundaries as low-angle, special or general on the basis of their structure. High-angle grain boundaries were investigated in tungsten carbide (WC) using conventional electron microscopy techniques, and three examples characteristic of the interfaces observed in this material were studied extensively. Three-dimensionally periodic patterns are proposed as plausible reference configurations, and the Burgers vectors of observed interfacial dislocations were predicted using a theory developed recently. The comparison of experimental observations with theoretical predictions proved to be difficult as contrast simulation techniques require further development for analysis to be completed confidently. Another part of this work involves the characterisation of high-angle grain boundaries in zinc oxide (ZnO) using circuit mapping. Two boundaries displayed structural features characteristic of the 'special' category, however, one boundary presented features which did not conform to this model. It is proposed that the latter observation shows a structural transition from the special to a more general type. Material fluxes involved in defect interactions were considered using the topological framework described in this work. A genera) expression was derived for the total flux arising which allows the behaviour of line-defects to be studied in complex interfacial processes. (author)

EBSD analysis of subgrain boundaries and dislocation slip systems in Antarctic and Greenland ice

Directory of Open Access Journals (Sweden)

I. Weikusat

2017-09-01

Full Text Available Ice has a very high plastic anisotropy with easy dislocation glide on basal planes, while glide on non-basal planes is much harder. Basal glide involves dislocations with the Burgers vector b = 〈a〉, while glide on non-basal planes can involve dislocations with b = 〈a〉, b = [c], and b = 〈c + a〉. During the natural ductile flow of polar ice sheets, most of the deformation is expected to occur by basal slip accommodated by other processes, including non-basal slip and grain boundary processes. However, the importance of different accommodating processes is controversial. The recent application of micro-diffraction analysis methods to ice, such as X-ray Laue diffraction and electron backscattered diffraction (EBSD, has demonstrated that subgrain boundaries indicative of non-basal slip are present in naturally deformed ice, although so far the available data sets are limited. In this study we present an analysis of a large number of subgrain boundaries in ice core samples from one depth level from two deep ice cores from Antarctica (EPICA-DML deep ice core at 656 m of depth and Greenland (NEEM deep ice core at 719 m of depth. EBSD provides information for the characterization of subgrain boundary types and on the dislocations that are likely to be present along the boundary. EBSD analyses, in combination with light microscopy measurements, are presented and interpreted in terms of the dislocation slip systems. The most common subgrain boundaries are indicative of basal 〈a〉 slip with an almost equal occurrence of subgrain boundaries indicative of prism [c] or 〈c + a〉 slip on prism and/or pyramidal planes. A few subgrain boundaries are indicative of prism 〈a〉 slip or slip of 〈a〉 screw dislocations on the basal plane. In addition to these classical polygonization processes that involve the recovery of dislocations into boundaries, alternative mechanisms are discussed for the formation of subgrain

Grain boundary precipitation in an austenitic stainless steel

International Nuclear Information System (INIS)

Jones, A.R.; Howell, P.R.; Ralph, B.

The precipitation of second phase particles of niobium carbide in an austenitic stainless steel is shown to be considerably influenced by the degree of deformation introduced prior to the ageing treatment. Sites for the nucleation of second phase particles are identified and the importance of one type of nucleation site, extrinsic dislocations, to the evolution of the final boundary precipitate distributions is emphasized. Further, it is shown that the presence of a grain boundary can effect precipitation processes for some considerable distance into the matrix on either side of the boundary. (author)

Thermal conductivity in Bi0.5Sb1.5Te3+x and the role of dense dislocation arrays at grain boundaries.

Science.gov (United States)

Deng, Rigui; Su, Xianli; Zheng, Zheng; Liu, Wei; Yan, Yonggao; Zhang, Qingjie; Dravid, Vinayak P; Uher, Ctirad; Kanatzidis, Mercouri G; Tang, Xinfeng

2018-06-01

Several prominent mechanisms for reduction in thermal conductivity have been shown in recent years to improve the figure of merit for thermoelectric materials. Such a mechanism is a hierarchical all-length-scale architecturing that recognizes the role of all microstructure elements, from atomic to nano to microscales, in reducing (lattice) thermal conductivity. In this context, there have been recent claims of remarkably low (lattice) thermal conductivity in Bi 0.5 Sb 1.5 Te 3 that are attributed to seemingly ordinary grain boundary dislocation networks. These high densities of dislocation networks in Bi 0.5 Sb 1.5 Te 3 were generated via unconventional materials processing with excess Te (which formed liquid phase, thereby facilitating sintering), followed by spark plasma sintering under pressure to squeeze out the liquid. We reproduced a practically identical microstructure, following practically identical processing strategies, but with noticeably different (higher) thermal conductivity than that claimed before. We show that the resultant microstructure is anisotropic, with notable difference of thermal and charge transport properties across and along two orthonormal directions, analogous to anisotropic crystals. Thus, we believe that grain boundary dislocation networks are not the primary cause of enhanced ZT through reduction in thermal conductivity. Instead, we can reproduce the purported high ZT through a favorable but impractical and incorrect combination of thermal conductivity measured along the pressing direction of anisotropy while charge transport measured in the direction perpendicular to the anisotropic direction. We believe that our work underscores the need for consistency in charge and thermal transport measurements for unified and verifiable measurements of thermoelectric (and related) properties and phenomena.

Studies of Grain Boundaries in Materials Subjected to Diffusional Creep

DEFF Research Database (Denmark)

Nørbygaard, Thomas

Grain boundaries in crystalline Cu(2%Ni) creep specimens have been studied by use of scanning and transmission electron microscopy in order to establish the mechanism of deformation. Creep rate measurements and dependencies were found to fit reasonably well with the model for diffusional creep......) with the activity displayed during diffusional creep testing. It was found that boundaries with low deviation from perfect Σ did not contribute macroscopically to the creep strain. A resist deposition procedure was examined to improve the reference surface grid so as to allow determination of the grain boundary...... plane by use of simple stereomicroscopy directly on the surface. The etched pattern deteriorated heav-ily during creep testing, supposedly because of dislocation creep, due to exces-sive creep stress. Grain boundaries have been studied and characterised by TEM providing an insight into the diversity...

Kinetics of interstitial segregation in Cottrell atmospheres and grain boundaries

Czech Academy of Sciences Publication Activity Database

Svoboda, Jiří; Zickler, G. A.; Kozeschnik, E.; Fischer, F. D.

2015-01-01

Roč. 95, č. 9 (2015), s. 458-465 ISSN 0950-0839 R&D Projects: GA ČR(CZ) GA15-06390S Institutional support: RVO:68081723 Keywords : segregation * grain boundaries * dislocations * simulation * thermodynamic extremal principle Subject RIV: BJ - Thermodynamics Impact factor: 0.918, year: 2015

Slip transfer across grain boundaries in Fe-Si bicrystals

Czech Academy of Sciences Publication Activity Database

Gemperlová, Juliana; Polcarová, Milena; Gemperle, Antonín; Zárubová, Niva

2004-01-01

Roč. 378, - (2004), s. 97-101 ISSN 0925-8388 R&D Projects: GA ČR GA202/01/0670 Institutional research plan: CEZ:AV0Z1010914 Keywords : metals * dislocations and disclinations * bicrystals * grain boundaries * transmission electron microscopy * X-ray diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.562, year: 2004

The atomic-scale origins of grain boundary superconducting properties

International Nuclear Information System (INIS)

Pennycook, S.J.; Chisholm, M.F.; Buban, J.; Browning, N.D.; Prouteau, C.; Univ. of Illinois, Chicago, IL; Nellist, P.D.

1998-02-01

Due to the extremely short coherence lengths of the high-T c superconductors, defects such as grain boundaries are obvious barriers to the flow of supercurrent. Within a few months of the discovery of these materials, it was shown how the critical current dropped four orders of magnitude as the grain boundary misorientation increased from zero to 45 degree. Even today, there is no quantitative understanding of this behavior. A qualitative understanding is however possible through atomic resolution Z-contrast imaging on YBa 2 Cu 3 O 7-δ and SrTiO 3 bicrystal grain boundaries, combined with bond-valence-sum analysis. The Z-contrast image of a YBa 2 Cu 3 O 7-δ low angle grain boundary shows the same kind of reconstructed dislocation cores as seen in SrTiO 3 , containing reconstructions on both the Cu and Y/Ba sublattices. An image of an asymmetric 30 degree boundary in YBa 2 Cu 3 O 7-δ shows the same units and unit sequence as expected for SrTiO 3 . YBa 2 Cu 3 O 7-δ boundaries are wavy because of their non-equilibrium growth process, and therefore mostly asymmetric in nature, although small segments have the symmetric structure. It seems reasonable to assume that boundaries of other angles will also have similar structures in these two materials

Misoriented dislocation substructures and the fracture of polycrystalline Cu-Al alloys

Science.gov (United States)

Koneva, N. A.; Trishkina, L. I.; Cherkasova, T. V.; Kozlov, E. V.

2016-10-01

The evolution of the dislocation substructure in polycrystalline Cu-Al alloys with various grain sizes is studied during deformation to failure. A relation between the fracture of the alloys and the forming misorientation dislocation substructures is revealed. Microcracks in the alloy are found to form along grain boundaries and the boundaries of misoriented dislocation cells and microtwins.

Thermo-kinetic mechanisms for grain boundary structure multiplicity, thermal instability and defect interactions

International Nuclear Information System (INIS)

Burbery, N.J.; Das, R.; Ferguson, W.G.

2016-01-01

Grain boundaries (GBs) provide a source and/or a sink for crystal defects and store elastic energy due to the non-uniform atomic bonding structure of the GB core. GB structures are thermodynamically driven to transition to the lowest energy configuration possible; however to date there has been little evidence to explain why specific GB structures have a low energy state. Furthermore, there is little quantitative demonstration of the significance of physical and GB structure characteristics on the GB energy, thermal stability, and the effect of temporary local GB structure transformations on defect interactions. This paper evaluates the defect interactions and structure stability of multiple Σ5(310) GB structures in bi-crystals of pure aluminium, and systematically investigates the features at 0 K to characterise multiple metastable structures. Structure stability is evaluated by utilising unstable vacancy defects to initiate GB transformations, and using nudged elastic band simulations to quantify this with the activation energy. The emission of stable vacancy defects from the ‘stable’ and metastable grain boundaries is also evaluated in the same manner. A detailed analysis of dislocation nucleation at the atomistic scale demonstrates that local transformations of GB structure between stable and metastable intermediates can provide a mechanism to accommodate the generation of crystal defects. Kinetic (time-dependent) effects that compete with energetic driving forces for structural transformations of GBs are shown to cause a significant effect on the activation properties that may exceed the influence of GB potential energy. The results demonstrate that GB structural multiplicity can be associated with the generation and absorption of dislocations and vacancies. This paper demonstrates the suitability of atomistic simulations coupled with nudged elastic band simulations to evaluate fundamental thermodynamic properties of pure FCC metals. Overall, this paper

Thermo-kinetic mechanisms for grain boundary structure multiplicity, thermal instability and defect interactions

Energy Technology Data Exchange (ETDEWEB)

Burbery, N.J. [Department of Mechanical Engineering, University of Auckland, Auckland 1010 (New Zealand); Das, R., E-mail: r.das@auckland.ac.nz [Department of Mechanical Engineering, University of Auckland, Auckland 1010 (New Zealand); Ferguson, W.G. [Department of Chemical and Materials Engineering, University of Auckland, Auckland 1010 (New Zealand)

2016-08-15

Grain boundaries (GBs) provide a source and/or a sink for crystal defects and store elastic energy due to the non-uniform atomic bonding structure of the GB core. GB structures are thermodynamically driven to transition to the lowest energy configuration possible; however to date there has been little evidence to explain why specific GB structures have a low energy state. Furthermore, there is little quantitative demonstration of the significance of physical and GB structure characteristics on the GB energy, thermal stability, and the effect of temporary local GB structure transformations on defect interactions. This paper evaluates the defect interactions and structure stability of multiple Σ5(310) GB structures in bi-crystals of pure aluminium, and systematically investigates the features at 0 K to characterise multiple metastable structures. Structure stability is evaluated by utilising unstable vacancy defects to initiate GB transformations, and using nudged elastic band simulations to quantify this with the activation energy. The emission of stable vacancy defects from the ‘stable’ and metastable grain boundaries is also evaluated in the same manner. A detailed analysis of dislocation nucleation at the atomistic scale demonstrates that local transformations of GB structure between stable and metastable intermediates can provide a mechanism to accommodate the generation of crystal defects. Kinetic (time-dependent) effects that compete with energetic driving forces for structural transformations of GBs are shown to cause a significant effect on the activation properties that may exceed the influence of GB potential energy. The results demonstrate that GB structural multiplicity can be associated with the generation and absorption of dislocations and vacancies. This paper demonstrates the suitability of atomistic simulations coupled with nudged elastic band simulations to evaluate fundamental thermodynamic properties of pure FCC metals. Overall, this paper

Influences of triple junctions on stress-assisted grain boundary motion in nanocrystalline materials

International Nuclear Information System (INIS)

Aramfard, Mohammad; Deng, Chuang

2014-01-01

Stress-assisted grain boundary motion is among the most studied modes of microstructural evolution in crystalline materials. In this study, molecular dynamics simulations were used to systematically investigate the influences of triple junctions on the stress-assisted motion of symmetric tilt grain boundaries in Cu by considering a honeycomb nanocrystalline model. It was found that the grain boundary motion in nanocrystalline models was highly sensitive to the loading mode, and a strong coupling effect which was prevalent in bicrystal models was only observed when simple shear was applied. In addition, the coupling factor extracted from the honeycomb model was found to be larger and more sensitive to temperature change than that from bicrystal models for the same type of grain boundary under the same loading conditions. Furthermore, the triple junctions seemed to exhibit unusual asymmetric pinning effects to the migrating grain boundary and the constraints by the triple junctions and neighboring grains led to remarkable non-linear grain boundary motion in directions both parallel and normal to the applied shear, which was in stark contrast to that observed in bicrystal models. In addition, dislocation nucleation and propagation, which were absent in the bicrystal model, were found to play an important role on shear-induced grain boundary motion when triple junctions were present. In the end, a generalized model for shear-assisted grain boundary motion was proposed based on the findings from this research. (paper)

Slip, twinning, and fracture at a grain boundary in the L1/sub 2/ ordered structure: A. sigma. = 9 tilt boundary

Energy Technology Data Exchange (ETDEWEB)

Yoo, M.H.; King, A.H.

1988-09-01

The role of interaction between slip dislocations and a ..sigma.. = 9 tilt boundary in localized microplastic deformation, cleavage, or intergranular fracture in the L1/sub 2/ ordered structure has been analyzed by using the anisotropic elasticity theory of dislocations and fracture. Screw superpartials cross slip easily at the boundary onto the (11-bar1) and the (001) planes at low and high temperatures, respectively. Transmission of primary slip dislocations onto the conjugate slip system occurs with a certain degree of difficulty, which is eased by localized disordering. When the transmission is impeded, cleavage fracture on the (1-bar11) plane is predicted to occur, not intergranular fracture, unless a symmetric double pileup occurs simultaneously. Absorption (or emission) of superpartials occurs only when the boundary region is disordered. Slip initiation from pre-existing sources near the boundary can occur under the local stress concentration. Implications of the present result on the inherent brittleness of grain boundaries in Ni/sub 3/ Al and its improvement by boron segregation are discussed.

A Cosserat crystal plasticity and phase field theory for grain boundary migration

Science.gov (United States)

Ask, Anna; Forest, Samuel; Appolaire, Benoit; Ammar, Kais; Salman, Oguz Umut

2018-06-01

The microstructure evolution due to thermomechanical treatment of metals can largely be described by viscoplastic deformation, nucleation and grain growth. These processes take place over different length and time scales which present significant challenges when formulating simulation models. In particular, no overall unified field framework exists to model concurrent viscoplastic deformation and recrystallization and grain growth in metal polycrystals. In this work a thermodynamically consistent diffuse interface framework incorporating crystal viscoplasticity and grain boundary migration is elaborated. The Kobayashi-Warren-Carter (KWC) phase field model is extended to incorporate the full mechanical coupling with material and lattice rotations and evolution of dislocation densities. The Cosserat crystal plasticity theory is shown to be the appropriate framework to formulate the coupling between phase field and mechanics with proper distinction between bulk and grain boundary behaviour.

Accurate electron channeling contrast analysis of a low angle sub-grain boundary

International Nuclear Information System (INIS)

Mansour, H.; Crimp, M.A.; Gey, N.; Maloufi, N.

2015-01-01

High resolution selected area channeling pattern (HR-SACP) assisted accurate electron channeling contrast imaging (A-ECCI) was used to unambiguously characterize the structure of a low angle grain boundary in an interstitial-free-steel. The boundary dislocations were characterized using TEM-style contrast analysis. The boundary was determined to be tilt in nature with a misorientation angle of 0.13° consistent with the HR-SACP measurements. The results were verified using high accuracy electron backscatter diffraction (EBSD), confirming the approach as a discriminating tool for assessing low angle boundaries

How grain boundaries affect the efficiency of poly-CdTe solar-cells: A fundamental atomic-scale study of grain boundary dislocation cores using CdTe bi-crystal thin films.

Energy Technology Data Exchange (ETDEWEB)

Klie, Robert [Univ. of Illinois, Chicago, IL (United States)

2016-10-25

It is now widely accepted that grain boundaries in poly-crystalline CdTe thin film devices have a detrimental effect on the minority carrier lifetimes, the open circuit voltage and therefore the overall solar-cell performance. The goal of this project was to develop a fundamental understanding of the role of grain boundaries in CdTe on the carrier life-time, open-circuit voltage, Voc, and the diffusion of impurities. To achieve this goal, i) CdTe bi-crystals were fabricated with various misorientation angels, ii) the atomic- and electronic structures of the grain boundaries were characterized using scanning transmission electron microscopy (STEM), and iii) first-principles density functional theory modeling was performed on the structures determined by STEM to predict the grain boundary potential. The transport properties and minority carrier lifetimes of the bi-crystal grain boundaries were measured using a variety of approaches, including TRPL, and provided feedback to the characterization and modeling effort about the effectiveness of the proposed models.

Localized electronic states at grain boundaries on the surface of graphene and graphite

DEFF Research Database (Denmark)

Luican-Mayer, Adina; Barrios-Vargas, Jose E.; Falkenberg, Jesper Toft

2016-01-01

ecent advances in large-scale synthesis of graphene and other 2D materials have underscored the importance of local defects such as dislocations and grain boundaries (GBs), and especially their tendency to alter the electronic properties of the material. Understanding how the polycrystalline morp...

Characterization and Modeling of Grain Boundary Chemistry Evolution in Ferritic Steels under Irradiation

Energy Technology Data Exchange (ETDEWEB)

Marquis, Emmanuelle [Univ. of Michigan, Ann Arbor, MI (United States); Wirth, Brian [Univ. of Tennessee, Knoxville, TN (United States); Was, Gary [Univ. of Michigan, Ann Arbor, MI (United States)

2016-03-28

Ferritic/martensitic (FM) steels such as HT-9, T-91 and NF12 with chromium concentrations in the range of 9-12 at.% Cr and high Cr ferritic steels (oxide dispersion strengthened steels with 12-18% Cr) are receiving increasing attention for advanced nuclear applications, e.g. cladding and duct materials for sodium fast reactors, pressure vessels in Generation IV reactors and first wall structures in fusion reactors, thanks to their advantages over austenitic alloys. Predicting the behavior of these alloys under radiation is an essential step towards the use of these alloys. Several radiation-induced phenomena need to be taken into account, including phase separation, solute clustering, and radiation-induced segregation or depletion (RIS) to point defect sinks. RIS at grain boundaries has raised significant interest because of its role in irradiation assisted stress corrosion cracking (IASCC) and corrosion of structural materials. Numerous observations of RIS have been reported on austenitic stainless steels where it is generally found that Cr depletes at grain boundaries, consistently with Cr atoms being oversized in the fcc Fe matrix. While FM and ferritic steels are also subject to RIS at grain boundaries, unlike austenitic steels, the behavior of Cr is less clear with significant scatter and no clear dependency on irradiation condition or alloy type. In addition to the lack of conclusive experimental evidence regarding RIS in F-M alloys, there have been relatively few efforts at modeling RIS behavior in these alloys. The need for predictability of materials behavior and mitigation routes for IASCC requires elucidating the origin of the variable Cr behavior. A systematic detailed high-resolution structural and chemical characterization approach was applied to ion-implanted and neutron-irradiated model Fe-Cr alloys containing from 3 to 18 at.% Cr. Atom probe tomography analyses of the microstructures revealed slight Cr clustering and segregation to dislocations and

Investigation of the role of grain boundary on the mechanical properties of metals

International Nuclear Information System (INIS)

Kheradmand, Nousha; Barnoush, Afrooz; Vehoff, Horst

2010-01-01

Compression testing of micropillars was used to investigate the gain boundary effect on the strength of metals which is especially interesting in ultra fine grained and nanocrystalline metals. Single and bicrystal micropillars of different sizes and crystallographic orientations were fabricated using a focused ion beam system and the compression test was performed with a nanoindenter. A reduction of the pillar size as well as the introduction of a grain boundary results in an increase in the yield strength. The results show that the size and the orientation of different adjoining crystals in bicrystalline pillars have an obvious effect on dislocation nucleation and multiplication.

Deformation by grain boundary sliding and slip creep versus diffusional creep

International Nuclear Information System (INIS)

Ruano, O A; Sherby, O D; Wadsworth, J.

1998-01-01

A review is presented of the debates between the present authors and other investigators regarding the possible role of diffusional creep in the plastic flow of polycrystalline metals at low stresses. These debates are recorded in eleven papers over the past seventeen years. ln these papers it has been shown that the creep rates of materials in the so-called diffusional creep region are almost always higher than those predicted by the diffusional creep theory. Additionally, the predictions of grain size effects and stress exponents from diffusional creep theory are often not found in the experimental data. Finally, denuded zones have been universally considered to be direct evidence for diffusional creep; but, those reported in the literature are shown to be found only under conditions where a high stress exponent is observed. Also, the locations of the denuded zones do not match those predicted. Alternative mechanisms are described in which diffusion-controlled dislocation creep and/or grain boundary sliding are the dominant deformation processes in low-stress creep. It is proposed that denuded zones are formed by stress-directed grain boundary migration with the precipitates dissolving in the moving grain boundaries. The above observations have led us to the conclusion that grain boundary sliding and slip creep are in fact the principal mechanisms for observations of plastic flow in the so-called diffusional creep regions

Grain Boundary Segregation in Metals

CERN Document Server

Lejcek, Pavel

2010-01-01

Grain boundaries are important structural components of polycrystalline materials used in the vast majority of technical applications. Because grain boundaries form a continuous network throughout such materials, their properties may limit their practical use. One of the serious phenomena which evoke these limitations is the grain boundary segregation of impurities. It results in the loss of grain boundary cohesion and consequently, in brittle fracture of the materials. The current book deals with fundamentals of grain boundary segregation in metallic materials and its relationship to the grain boundary structure, classification and other materials properties.

Grain boundary migration

International Nuclear Information System (INIS)

Dimitrov, O.

1975-01-01

Well-established aspects of grain-boundary migration are first briefly reviewed (influences of driving force, temperature, orientation and foreign atoms). Recent developments of the experimental methods and results are then examined, by considering the various driving of resistive forces acting on grain boundaries. Finally, the evolution in the theoretical models of grain-boundary motion is described, on the one hand for ideally pure metals and, on the other hand, in the presence of solute impurity atoms [fr

Large Tc depression at low angle [100] tilt grain boundaries in bulk Bi2Sr2CaCu2O8+δ bicrystals

International Nuclear Information System (INIS)

Li, Q.; Tsay, Y.N.; Zhu, Y.; Suenaga, M.; Gu, G.D.; Koshizuka, N.

1997-01-01

Large depression of T c at 7 degree [100] tilt grain boundaries was observed in bulk Bi 2 Sr 2 CaCu 2 O 8+δ (Bi2212) bicrystals by measuring the zero-field electrical transport properties of the grain boundaries and the constituent single crystals over an extended range of currents and voltages. The T c -depressed region was determined to be around 20 nm, comparable to the width of the strain field associated with the observed array of grain-boundary dislocations. Superconducting coupling of the grain boundaries increases sharply as temperature decreases below the grain-boundary T c congruent 68 K. copyright 1997 American Institute of Physics

Coarse-grained elastodynamics of fast moving dislocations

International Nuclear Information System (INIS)

Xiong, Liming; Rigelesaiyin, Ji; Chen, Xiang; Xu, Shuozhi; McDowell, David L.; Chen, Youping

2016-01-01

The fundamental mechanism of dynamic plasticity in metallic materials subjected to shock loading remains unclear because it is difficult to obtain the precise information of individual fast moving dislocations in metals from the state-of-the-art experiments. In this work, the dynamics of sonic dislocations in anisotropic crystalline materials is explored through a concurrent atomistic-continuum modeling method. We make a first attempt to characterize the complexity of nonuniformly moving dislocations in anisotropic crystals from atomistic to microscale, including the energy intensities as well as the wavelengths of acoustic phonons emitted from sonic dislocations, and the velocity-dependent stress fluctuations around the core of nonuniformly moving dislocations. Instantaneous dislocation velocities and phonon drag effects on the dislocation motions are quantified and analyzed. Mach cones in a V-shaped pattern of the phonon wave-fronts are observed in the wake of the sonic dislocations. Analysis of simulation results based on a wavelet transform show that the faster a dislocation is moving, the longer the emitted phonon wavelength. The dislocation velocity drops dramatically with the occurrence of the interactions between dislocations and phonon waves reflected from the boundaries of specimens. The concurrent atomistic-continuum modeling framework is demonstrated to be the first multiscale method that explicitly treats the strong coupling between the long-range elastic fields away from the dislocation core, the highly nonlinear time-dependent stress field within the core, and the evolutions of the atomic-scale dislocation core structures. As such, it is shown that this method is capable in predicting elastodynamics of dislocations in the presence of inertia effects associated with sonic dislocations in micron-sized anisotropic crystalline materials from the atomic level, which is not directly accessible to the recent elastodynamic discrete dislocation model.

Physics of grain boundaries in polycrystalline photovoltaic semiconductors

Energy Technology Data Exchange (ETDEWEB)

Yan, Yanfa, E-mail: yanfa.yan@utoledo.edu; Yin, Wan-Jian; Wu, Yelong; Shi, Tingting; Paudel, Naba R. [Department of Physics and Astronomy and Wright Center for Photovoltaics Innovation and Commercialization, The University of Toledo, Ohio 43606 (United States); Li, Chen [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Poplawsky, Jonathan [The Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Wang, Zhiwei [Department of Physics and Astronomy and Wright Center for Photovoltaics Innovation and Commercialization, The University of Toledo, Ohio 43606 (United States); National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); Moseley, John; Guthrey, Harvey; Moutinho, Helio; Al-Jassim, Mowafak M. [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); Pennycook, Stephen J. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States)

2015-03-21

Thin-film solar cells based on polycrystalline Cu(In,Ga)Se{sub 2} (CIGS) and CdTe photovoltaic semiconductors have reached remarkable laboratory efficiencies. It is surprising that these thin-film polycrystalline solar cells can reach such high efficiencies despite containing a high density of grain boundaries (GBs), which would seem likely to be nonradiative recombination centers for photo-generated carriers. In this paper, we review our atomistic theoretical understanding of the physics of grain boundaries in CIGS and CdTe absorbers. We show that intrinsic GBs with dislocation cores exhibit deep gap states in both CIGS and CdTe. However, in each solar cell device, the GBs can be chemically modified to improve their photovoltaic properties. In CIGS cells, GBs are found to be Cu-rich and contain O impurities. Density-functional theory calculations reveal that such chemical changes within GBs can remove most of the unwanted gap states. In CdTe cells, GBs are found to contain a high concentration of Cl atoms. Cl atoms donate electrons, creating n-type GBs between p-type CdTe grains, forming local p-n-p junctions along GBs. This leads to enhanced current collections. Therefore, chemical modification of GBs allows for high efficiency polycrystalline CIGS and CdTe thin-film solar cells.

Irradiation-induced amorphization in split-dislocation cores

International Nuclear Information System (INIS)

Ovid'ko, I.A.; Rejzis, A.B.

1999-01-01

The model describing special splitting of lattice and grain-boundary dislocations as one of the micromechanisms of solid-phase amorphization in irradiated crystals is proposed. Calculation of energy characteristics of the process of dislocations special splitting is carried out [ru

Stacking fault tetrahedra formation in the neighbourhood of grain boundaries

CERN Document Server

Samaras, M; Van Swygenhoven, H; Victoria, M

2003-01-01

Large scale molecular dynamics computer simulations are performed to study the role of the grain boundary (GB) during the cascade evolution in irradiated nanocrystalline Ni. At all primary knock-on atom (PKA) energies in cascades near GBs, the damage produced after cooling down is vacancy dominated. Truncated stacking fault tetrahedra (TSFTs) are easily formed at 10 keV and higher PKA energies. At the higher energies a complex partial dislocation network forms, consisting of TSFTs. The GB acts as an interstitial sink without undergoing major structural changes.

Effects of dislocations on polycrystal anelasticity

Science.gov (United States)

Sasaki, Y.; Takei, Y.; McCarthy, C.; Suzuki, A.

2017-12-01

Effects of dislocations on the seismic velocity and attenuation have been poorly understood, because only a few experimental studies have been performed [Guéguen et al., 1989; Farla et al., 2012]. By using organic borneol as a rock analogue, we measured dislocation-induced anelasticity accurately over a broad frequency range. We first measured the flow law of borneol aggregates by uniaxial compression tests under a confining pressure of 0.8 MPa. A transition from diffusion creep (n = 1) to dislocation creep (n = 5) was captured at about σ = 1 MPa (40°C-50°C). After deforming in the dislocation creep regime, sample microstructure showed irregular grain shape consistent with grain boundary migration. Next, we conducted three creep tests at σ = 0.27 MPa (diffusion creep regime), σ = 1.3 MPa and σ = 1.9 MPa (dislocation creep regime) on the same sample in increasing order, and measured Young's modulus E and attenuation Q-1 after each creep test by forced oscillation tests. The results show that as σ increased, E decreased and Q-1 increased. These changes induced by dislocations, however, almost fully recovered during the forced oscillation tests performed for about two weeks under a small stress (σ = 0.27 MPa) due to the dislocation recovery (annihilation). In order to constrain the time scale of the dislocation-induced anelastic relaxation, we further measured Young's modulus E at ultrasonic frequency before and after the dislocation creep and found that E at 106 Hz is not influenced by dislocations. Because E at 100 Hz is reduced by dislocations by 10%, the dislocation-induced anelastic relaxation occurs mostly between 102-106 Hz which is at a higher frequency than grain-boundary-induced anelasticity. To avoid dislocation recovery during the anelasticity measurement, we are now trying to perform an in-situ measurement of anelasticity while simultaneously deforming under a high stress associated with dislocation creep. The combination of persistent creep

Pressure effect on grain boundary diffusion

International Nuclear Information System (INIS)

Smirnova, E.S.; Chuvil'deev, V.N.

1997-01-01

The influence of hydrostatic pressure on grain boundary diffusion and grain boundary migration in metallic materials is theoretically investigated. The model is suggested that permits describing changes in activation energy of grain boundary self-diffusion and diffusion permeability of grain boundaries under hydrostatic pressure. The model is based on the ideas about island-type structure of grain boundaries as well as linear relationship of variations in grain boundary free volume to hydrostatic pressure value. Comparison of theoretical data with experimental ones for a number of metals and alloys (α-Zr, Sn-Ge, Cu-In with Co, In, Al as diffusing elements) shows a qualitative agreement

Localized solid-state amorphization at grain boundaries in a nanocrystalline Al solid solution subjected to surface mechanical attrition

Energy Technology Data Exchange (ETDEWEB)

Wu, X [State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100080 (China); Tao, N [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Hong, Y [State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100080 (China); Lu, J [LASMIS, University of Technology of Troyes, 10000, Troyes (France); Lu, K [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China)

2005-11-21

Using high-resolution electron microscopy, localized solid-state amorphization (SSA) was observed in a nanocrystalline (NC) Al solid solution (weight per cent 4.2 Cu, 0.3 Mn, the rest being Al) subjected to a surface mechanical attrition treatment. It was found that the deformation-induced SSA may occur at the grain boundary (GB) where either the high density dislocations or dislocation complexes are present. It is suggested that lattice instability due to elastic distortion within the dislocation core region plays a significant role in the initiation of the localized SSA at defective sites. Meanwhile, the GB of severely deformed NC grains exhibits a continuously varying atomic structure in such a way that while most of the GB is ordered but reveals corrugated configurations, localized amorphization may occur along the same GB.

Ferroelectric domain continuity over grain boundaries

DEFF Research Database (Denmark)

Mantri, Sukriti; Oddershede, Jette; Damjanovic, Dragan

2017-01-01

Formation and mobility of domain walls in ferroelectric materials is responsible for many of their electrical and mechanical properties. Domain wall continuity across grain boundaries has been observed since the 1950's and is speculated to affect the grain boundary-domain interactions, thereby...... impacting macroscopic ferroelectric properties in polycrystalline systems. However detailed studies of such correlated domain structures across grain boundaries are limited. In this work, we have developed the mathematical requirements for domain wall plane matching at grain boundaries of any given...... orientation. We have also incorporated the effect of grain boundary ferroelectric polarization charge created when any two domains meet at the grain boundary plane. The probability of domain wall continuity for three specific grain misorientations is studied. Use of this knowledge to optimize processing...

On the implication of solute contents and grain boundaries on the Hall-Petch relationship of nanocrystalline Ni-W alloys

International Nuclear Information System (INIS)

Shakibi Nia, N.; Savall, C.; Creus, J.; Bourgon, J.; Girault, P.; Metsue, A.; Cohendoz, S.; Feaugas, X.

2016-01-01

Nano-crystalline nickel-tungsten alloys are investigated in order to provide evidence of the contribution of the solute content (light elements and tungsten) and grain-boundaries on hardness. For this purpose, Ni-W alloys were elaborated by electrodeposition in an additive free citrate ammonium bath. The variation of electrodeposition conditions leads to W contents up to 18 at%, with a broad range of grain sizes (5–650 nm). The incorporation of light elements (H, O, C, N) depends on the deposition applied conditions and a progressive modification of the texture is observed with the following sequence: {110}, NT (Non-Textured) and {111} textures. We show that the Hall-Petch relationship for these alloys is influenced by the presence of light elements, the nature of the crystallographic texture and the grain boundaries character. The dependence of grain size on flow stress is a direct consequence of the solute content (solute strengthening) and the evolution of the internal stresses with grain size. To explain the experimental data, two competing physical mechanisms are suggested: grain boundary shearing and dislocation emission at grain boundary, which are affected by the nature of the grain boundary and the solute content.

On the implication of solute contents and grain boundaries on the Hall-Petch relationship of nanocrystalline Ni-W alloys

Energy Technology Data Exchange (ETDEWEB)

Shakibi Nia, N., E-mail: Niusha.Shakibi-Nia@uibk.ac.at [LaSIE (UMR 7356) CNRS, Université de La Rochelle, Av. Michel Crépeau, F-17000, La Rochelle (France); Savall, C.; Creus, J. [LaSIE (UMR 7356) CNRS, Université de La Rochelle, Av. Michel Crépeau, F-17000, La Rochelle (France); Bourgon, J. [ICMPE (UMR 7182) CNRS-UPEC, Université Paris Est, 2-8 rue Henri Dunant, F-94320, Thiais (France); Girault, P.; Metsue, A.; Cohendoz, S.; Feaugas, X. [LaSIE (UMR 7356) CNRS, Université de La Rochelle, Av. Michel Crépeau, F-17000, La Rochelle (France)

2016-12-15

Nano-crystalline nickel-tungsten alloys are investigated in order to provide evidence of the contribution of the solute content (light elements and tungsten) and grain-boundaries on hardness. For this purpose, Ni-W alloys were elaborated by electrodeposition in an additive free citrate ammonium bath. The variation of electrodeposition conditions leads to W contents up to 18 at%, with a broad range of grain sizes (5–650 nm). The incorporation of light elements (H, O, C, N) depends on the deposition applied conditions and a progressive modification of the texture is observed with the following sequence: {110}, NT (Non-Textured) and {111} textures. We show that the Hall-Petch relationship for these alloys is influenced by the presence of light elements, the nature of the crystallographic texture and the grain boundaries character. The dependence of grain size on flow stress is a direct consequence of the solute content (solute strengthening) and the evolution of the internal stresses with grain size. To explain the experimental data, two competing physical mechanisms are suggested: grain boundary shearing and dislocation emission at grain boundary, which are affected by the nature of the grain boundary and the solute content.

Effect of ion irradiation-produced defects on the mobility of dislocations in 304 stainless steel

International Nuclear Information System (INIS)

Briceno, M.; Fenske, J.; Dadfarnia, M.; Sofronis, P.; Robertson, I.M.

2011-01-01

The impact of heavy-ion produced defects on the mobility of dislocations, dislocation sources and newly generated dislocations in 304 stainless steel are discovered by performing irradiation and deformation experiments in real time in the transmission electron microscope. Dislocations mobile prior to the irradiation are effectively locked in position by the irradiation, but the irradiation has no discernible impact on the ability of a source to generate dislocations. The motion and mobility of a dislocation is altered by the irradiation. It becomes irregular and jerky and the mobility increases slowly with time as the radiation-produced defects are annihilated locally. Channels created by dislocations ejected from grain boundary dislocation sources were found to have a natural width, as the emission sites within the boundary were spaced close together. Finally, the distribution of dislocations, basically, an inverse dislocation pile-up, within a cleared channel suggests a new mechanism for generating high local levels of stress at grain boundaries. The impact of these observations on the mechanical properties of irradiated materials is discussed briefly.

Effect of ion irradiation-produced defects on the mobility of dislocations in 304 stainless steel

Energy Technology Data Exchange (ETDEWEB)

Briceno, M.; Fenske, J. [Department of Materials Science and Engineering, University of Illinois, Urbana, IL 61801 (United States); Dadfarnia, M.; Sofronis, P. [Department of Mechanical Science and Engineering, University of Illinois, Urbana, IL 61801 (United States); Robertson, I.M., E-mail: ian.robertson@tcd.ie [Department of Materials Science and Engineering, University of Illinois, Urbana, IL 61801 (United States)

2011-02-01

The impact of heavy-ion produced defects on the mobility of dislocations, dislocation sources and newly generated dislocations in 304 stainless steel are discovered by performing irradiation and deformation experiments in real time in the transmission electron microscope. Dislocations mobile prior to the irradiation are effectively locked in position by the irradiation, but the irradiation has no discernible impact on the ability of a source to generate dislocations. The motion and mobility of a dislocation is altered by the irradiation. It becomes irregular and jerky and the mobility increases slowly with time as the radiation-produced defects are annihilated locally. Channels created by dislocations ejected from grain boundary dislocation sources were found to have a natural width, as the emission sites within the boundary were spaced close together. Finally, the distribution of dislocations, basically, an inverse dislocation pile-up, within a cleared channel suggests a new mechanism for generating high local levels of stress at grain boundaries. The impact of these observations on the mechanical properties of irradiated materials is discussed briefly.

Grain boundary segregation and intergranular failure

International Nuclear Information System (INIS)

White, C.L.

1980-01-01

Trace elements and impurities often segregate strongly to grain boundaries in metals and alloys. Concentrations of these elements at grain boundaries are often 10 3 to 10 5 times as great as their overall concentration in the alloy. Because of such segregation, certain trace elements can exert a disproportionate influence on material properties. One frequently observed consequence of trace element segregation to grain boundaries is the occurrence of grain boundary failure and low ductility. Less well known are incidences of improved ductility and inhibition of grain boundary fracture resulting from trace element segregation to grain boundaries in certain systems. An overview of trace element segregation and intergranular failure in a variety of alloy systems as well as preliminary results from studies on Al 3% Li will be presented

Deformation-induced microstructural evolution at grain scale

DEFF Research Database (Denmark)

Winther, Grethe

During plastic deformation metals develop microstructures which may be analysed on several scales,spanning from crystallographic textures averaged over the entire sample to the scale of individualgrains. Even within individual grains, intragranular phenomena in the form of orientation gradients...... aswell as dislocation patterning by formation of dislocation boundaries occur. Experimental data andassociated data analysis at the grain scale and below will be presented to illustrate our current level ofunderstanding. The basis for the analysis is the crystallographic orientation of the grain as well...... is presented for both fcc and bcc materials inseveral deformation modes, demonstrating a clear grain orientation dependence [Huang & Winther,2007]. This dependence has its origin in a dependence on the slip systems [Winther & Huang, 2007].This further implies that the dislocations in the boundaries come from...

In situ TEM observations of reverse dislocation motion upon unloading in tensile-deformed UFG aluminium

International Nuclear Information System (INIS)

Mompiou, Frédéric; Caillard, Daniel; Legros, Marc; Mughrabi, Haël

2012-01-01

Loading–unloading cycles have been performed on ultrafine-grained (UFG) aluminium inside a transmission electron microscope (TEM). The interaction of dislocations with grain boundaries, which is supposed to be at the origin of the inelastic behaviour of this class of materials, differs according to the main character of the dislocation segments involved in pile-ups. Pile-ups are formed by spiral sources and lead to the incorporation of dislocations into grain boundaries (GBs) during loading. Upon unloading, partial re-emission of dislocations from GBs can be observed. Stress and strain measurements performed during these in situ TEM loading–unloading experiments are in agreement with the rather large inelastic reverse strains observed during unloading in loading–unloading tests on bulk macroscopic UFG aluminium specimens.

The disconnection mechanism of coupled migration and shear at grain boundaries

International Nuclear Information System (INIS)

Khater, H.A.; Serra, A.; Pond, R.C.; Hirth, J.P.

2012-01-01

The mechanism of coupled migration and shear is studied in a range of [0 0 0 1] tilt boundaries in hexagonal close-packed metal using atomic-scale computer simulation. Symmetrical tilt boundaries spanning the low- and high-angle regimes and comprising regular arrays of grain boundary dislocations are simulated. For each misorientation, θ, the perfect boundary (pristine) is investigated as well as one containing a disconnection. Both types of structures are subjected to incremental applied strains to determine the stress that produces coupled migration and shear. The stress for motion in the pristine case, entailing nucleation, is higher than the Peierls stress for motion when disconnections are present. We conclude that the applied stresses in our simulations exert a Peach–Koehler force on pre-existing disconnections, thereby providing a feasible mechanism with a well-defined driving force that produces coupled migration and shear. This mechanism is feasible for the lower-angle boundaries studied, and facile for the high-angle cases.

Evolution of grain boundary character distributions in alloy 825 tubes during high temperature annealing: Is grain boundary engineering achieved through recrystallization or grain growth?

International Nuclear Information System (INIS)

Bai, Qin; Zhao, Qing; Xia, Shuang; Wang, Baoshun; Zhou, Bangxin; Su, Cheng

2017-01-01

Grain boundary engineering (GBE) of nickel-based alloy 825 tubes was carried out with different cold drawing deformations by using a draw-bench on a factory production line and subsequent annealing at various temperatures. The microstructure evolution of alloy 825 during thermal-mechanical processing (TMP) was characterized by means of the electron backscatter diffraction (EBSD) technique to study the TMP effects on the grain boundary network and the evolution of grain boundary character distributions during high temperature annealing. The results showed that the proportion of ∑ 3 n coincidence site lattice (CSL) boundaries of alloy 825 tubes could be increased to > 75% by the TMP of 5% cold drawing and subsequent annealing at 1050 °C for 10 min. The microstructures of the partially recrystallized samples and the fully recrystallized samples suggested that the proportion of low ∑ CSL grain boundaries depended on the annealing time. The frequency of low ∑ CSL grain boundaries increases rapidly with increasing annealing time associating with the formation of large-size highly-twinned grains-cluster microstructure during recrystallization. However, upon further increasing annealing time, the frequency of low ∑ CSL grain boundaries decreased markedly during grain growth. So it is concluded that grain boundary engineering is achieved through recrystallization rather than grain growth. - Highlights: •The grain boundary engineering (GBE) is applicable to 825 tubes. •GBE is achieved through recrystallization rather than grain growth. •The low ∑ CSL grain boundaries in 825 tubes can be increased to > 75%.

A grain-boundary diffusion model of dynamic grain growth during superplastic deformation

International Nuclear Information System (INIS)

Kim, Byung-Nam; Hiraga, Keijiro; Sakka, Yoshio; Ahn, Byung-Wook

1999-01-01

Dynamic grain growth during superplastic deformation is modelled on the basis of a grain-boundary diffusion mechanism. On the grain boundary where a static and a dynamic potential difference coexist, matter transport along the boundary is assumed to contribute to dynamic grain growth through depositing the matter on the grain surface located opposite to the direction of grain-boundary migration. The amount of the diffusive matter during deformation is calculated for an aggregate of spherical grains and is converted to the increment of mean boundary migration velocity. The obtained relationship between the strain rate and the dynamic grain growth rate is shown to be independent of deformation mechanisms, provided that the grain growth is controlled by grain-boundary diffusion. The strain dependence, strain-rate dependence and temperature dependence of grain growth predicted from this model are consistent with those observed in superplastic ZrO 2 -dispersed Al 2 O 3

Grain boundary sliding mechanism during high temperature deformation of AZ31 Magnesium alloy

Energy Technology Data Exchange (ETDEWEB)

Roodposhti, Peiman Shahbeigi, E-mail: pshahbe@ncsu.edu [North Carolina State University (United States); University of Connecticut (United States); Sarkar, Apu; Murty, Korukonda Linga [North Carolina State University (United States); Brody, Harold [University of Connecticut (United States); Scattergood, Ronald [North Carolina State University (United States)

2016-07-04

High temperature tensile creep tests were conducted on AZ31 Magnesium alloy at low stress range of 1–13 MPa to clarify the existence of grain boundary sliding (GBS) mechanism during creep deformation. Experimental data within the GBS regime shows the stress exponent is ~2 and the activation energy value is close to that for grain boundary diffusion. Analyses of the fracture surface of the sample revealed that the GBS provides many stress concentrated sites for diffusional cavities formation and leads to premature failure. Scanning electron microscopy images show the appearances of both ductile and brittle type fracture mechanism. X-ray diffraction line profile analysis (based on Williamson-Hall technique) shows a reduction in dislocation density due to dynamic recovery (DRV). A correlation between experimental data and Langdon's model for GBS was also demonstrated.

On the elastic stiffness of grain boundaries

International Nuclear Information System (INIS)

Zhang Tongyi; Hack, J.E.

1992-01-01

The elastic softening of grain boundaries is evaluated from the starting point of grain boundary energy. Several examples are given to illustrate the relationship between boundary energy and the extent of softening. In general, a high grain boundary energy is associated with a large excess atomic volume in the boundary region. The consequent reduction in grain boundary stiffness can represent a significant fraction of that observed in bulk crystals. (orig.)

Theory of superplastic flow in two-phase materials: roles of interphase-boundary dislocations, ledges, and diffusion

International Nuclear Information System (INIS)

Gittus, J.H.

1977-01-01

A new theory is developed to explain superplastic flow in two-phase materials. It is postulated that boundary-dislocations, piled up in dislocation-Interphase-Boundaries (IPBs) climb away into disordered regions of the IPB. Sliding then occurs at an IPB as dislocations glide toward the head of the pile up to replace those which have climbed into disordered regions of the boundary. An energy barrier which would otherwise render sliding virtually impossible on dislocation-IPBs can, it is shown, be largely eliminated if the dislocations glide in pairs. The disorder (actually an antiphase domain boundary) which is created by the passage of the leading dislocation is then repaired by passage of its successor. The threshold stress for superplastic flow is provisionally identified with the stress which pins IPB dislocations to boundary ledges. The activation energy is theoretically that for IPB diffusion. Good agreement is obtained between the theoretical equation for superplastic flow and the results of published experiments

Deformation induced dislocation boundaries: Alignment and effect on mechanical properties

DEFF Research Database (Denmark)

Winther, G.; Juul Jensen, D.

1997-01-01

The dislocation boundaries formed during cold-rolling of FCC metals have been reported to have a preferred macroscopic direction with respect to the sample axes. However, boundaries have also been reported to form on crystallographic slip planes. The directions of the boundaries formed on crystal...

High temperature microplasticity of fine-grained ceramics

International Nuclear Information System (INIS)

Lakki, A.; Schaller, R.

1996-01-01

Several fine-grained ceramics exhibit enhanced ductility or even structural superplasticity at high temperature. Grain boundaries play a dominant role in the deformation process of these materials which usually involves diffusion-accommodated grain boundary sliding. Sliding is either lubricated by an amorphous intergranular phase or takes place by glide and climb of grain boundary dislocations. At high temperature, anelastic deformation precedes plastic deformation and stems from the short range motion of lattice defects, such as dislocations and grain boundaries. The energy loss (''mechanical loss'') associated with such motion can be measured by using the technique of mechanical spectroscopy. Moreover, at the onset of plasticity (''microplasticity''), long range irrecoverable motion of defects contributes to additional mechanical loss. Mechanical loss spectra may then give an insight into mechanisms operating at the transition between anelastic and plastic deformation. As an illustration, the spectra of three fine-grained ceramics (Si 3 N 4 , ZrO 2 , Al 2 O 3 ) are presented. In all cases, anelastic relaxation phenomena (peak and background) have been observed at high temperature (> 1200 K), bearing a close relation with creep behaviour. Their analysis permits to distinguish between different types of microstructrual elements: bulk regions of amorphous intergranular phase at triple points, grain boundaries separated by a thin glassy film and ''clean'' grain boundaries. (orig.)

The role of dislocation channeling in IASCC initiation of neutron irradiated stainless steel

Energy Technology Data Exchange (ETDEWEB)

Stephenson, Kale J., E-mail: kalejs@umich.edu; Was, Gary S.

2016-12-01

This study intended to understand how dislocation channeling affects IASCC initiation using a novel four-point bend test. Stainless steels used in this study (irradiated in the BOR-60 reactor) included a commercial purity 304L alloy irradiated to 5.5, 10.2, and 47.5 dpa, and two high purity alloys, Fe−18Cr−12Ni and Fe−18Cr−25Ni, irradiated to ∼10 dpa. IASCC was enhanced by MnS inclusions, which dissolve in the NWC environment and form oxide caps, creating a crevice condition with a high propensity for crack initiation. Stress concentration at the grain boundary intersecting these sites induced crack initiation, resulting from discontinuous dislocation channels (DC). Stress to initiate IASCC decreased with dose due to earlier DC initiation. The HP Fe−18Cr−12Ni alloy had low IASCC susceptibility and the high Ni alloy did not crack. The difference was attributed to the propensity for DCs to transmit across grain boundaries, which controls stress accumulation at DC – grain boundary intersections. - Highlights: • MnS inclusions enhance susceptibility to IASCC initiation. • Local stress (typically caused by an intersecting dislocation channel) was required to cause cracking at a MnS inclusion. • The remotely applied stress at which IASCC initiation occurred decreased with increasing irradiation dose. • IASCC resistant alloys were more likely to transmit dislocation channels across grain boundaries.

Grain-boundary engineering applied to grain growth in a high temperature material

International Nuclear Information System (INIS)

Huda, Z.

1993-01-01

Crystallography of grain boundaries are determined for a high temperature material, before and after grain growth processes, so as to study the induction of special properties useful for application in components of a gas-turbine engine. The philosophy of grain-boundary engineering is applied to grain growth in APK-6, a powder formed nickel-base superalloy so as to establish the possible structure/property relationships. The alloy in the as received condition is shown to possess a strong texture and contained coincident site lattices (CSL) boundaries with most boundaries having sigma values in the range of 3 > sigma > 25. A normal grain-growth heat treatment result in a good population of low angle grain boundaries, and drastically reduces the proportion of CSL boundaries. A strong [011] annealing texture is observed after an intermediate grain growth; most grain boundaries, here, tend to be high angle indicating a possibility of possessing special properties. (author)

The Relevance of Grain Dissection for Grain Size Reduction in Polar Ice: Insights from Numerical Models and Ice Core Microstructure Analysis

Directory of Open Access Journals (Sweden)

Florian Steinbach

2017-09-01

Full Text Available The flow of ice depends on the properties of the aggregate of individual ice crystals, such as grain size or lattice orientation distributions. Therefore, an understanding of the processes controlling ice micro-dynamics is needed to ultimately develop a physically based macroscopic ice flow law. We investigated the relevance of the process of grain dissection as a grain-size-modifying process in natural ice. For that purpose, we performed numerical multi-process microstructure modeling and analyzed microstructure and crystallographic orientation maps from natural deep ice-core samples from the North Greenland Eemian Ice Drilling (NEEM project. Full crystallographic orientations measured by electron backscatter diffraction (EBSD have been used together with c-axis orientations using an optical technique (Fabric Analyser. Grain dissection is a feature of strain-induced grain boundary migration. During grain dissection, grain boundaries bulge into a neighboring grain in an area of high dislocation energy and merge with the opposite grain boundary. This splits the high dislocation-energy grain into two parts, effectively decreasing the local grain size. Currently, grain size reduction in ice is thought to be achieved by either the progressive transformation from dislocation walls into new high-angle grain boundaries, called subgrain rotation or polygonisation, or bulging nucleation that is assisted by subgrain rotation. Both our time-resolved numerical modeling and NEEM ice core samples show that grain dissection is a common mechanism during ice deformation and can provide an efficient process to reduce grain sizes and counter-act dynamic grain-growth in addition to polygonisation or bulging nucleation. Thus, our results show that solely strain-induced boundary migration, in absence of subgrain rotation, can reduce grain sizes in polar ice, in particular if strain energy gradients are high. We describe the microstructural characteristics that can be

The relevance of grain dissection for grain size reduction in polar ice: insights from numerical models and ice core microstructure analysis

Science.gov (United States)

Steinbach, Florian; Kuiper, Ernst-Jan N.; Eichler, Jan; Bons, Paul D.; Drury, Martyn R.; Griera, Albert; Pennock, Gill M.; Weikusat, Ilka

2017-09-01

The flow of ice depends on the properties of the aggregate of individual ice crystals, such as grain size or lattice orientation distributions. Therefore, an understanding of the processes controlling ice micro-dynamics is needed to ultimately develop a physically based macroscopic ice flow law. We investigated the relevance of the process of grain dissection as a grain-size-modifying process in natural ice. For that purpose, we performed numerical multi-process microstructure modelling and analysed microstructure and crystallographic orientation maps from natural deep ice-core samples from the North Greenland Eemian Ice Drilling (NEEM) project. Full crystallographic orientations measured by electron backscatter diffraction (EBSD) have been used together with c-axis orientations using an optical technique (Fabric Analyser). Grain dissection is a feature of strain-induced grain boundary migration. During grain dissection, grain boundaries bulge into a neighbouring grain in an area of high dislocation energy and merge with the opposite grain boundary. This splits the high dislocation-energy grain into two parts, effectively decreasing the local grain size. Currently, grain size reduction in ice is thought to be achieved by either the progressive transformation from dislocation walls into new high-angle grain boundaries, called subgrain rotation or polygonisation, or bulging nucleation that is assisted by subgrain rotation. Both our time-resolved numerical modelling and NEEM ice core samples show that grain dissection is a common mechanism during ice deformation and can provide an efficient process to reduce grain sizes and counter-act dynamic grain-growth in addition to polygonisation or bulging nucleation. Thus, our results show that solely strain-induced boundary migration, in absence of subgrain rotation, can reduce grain sizes in polar ice, in particular if strain energy gradients are high. We describe the microstructural characteristics that can be used to

Motion of 1/3<111> dislocations on Σ3 (112) twin boundaries in nanotwinned copper

Energy Technology Data Exchange (ETDEWEB)

Lu, N.; Du, K., E-mail: kuidu@imr.ac.cn [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Beijing National Center for Electron Microscopy, Tsinghua University, Beijing 100084 (China); Lu, L.; Ye, H. Q. [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China)

2014-01-14

The atomic structure of Σ3 (112) ITBs in nanotwinned Cu is investigated by using aberration-corrected high resolution transmission electron microscopy (HRTEM) and in situ HRTEM observations. The Σ3 (112) ITBs are consisted of periodically repeated three partial dislocations. The in situ HRTEM results show that 1/3[111] partial dislocation moves on the Σ3 (112) incoherent twin boundary (ITB), which was accompanied by a migration of the ITB. A dislocation reaction mechanism is proposed for the motion of 1/3[111] Frank partial dislocation, in which the 1/3[111] partial dislocation exchanges its position with twin boundary dislocations in sequence. In this way, the 1/3[111] dislocation can move on the incoherent twin boundary in metals with low stacking fault energy. Meanwhile, the ITB will migrate in its normal direction accordingly. These results provide insight into the reaction mechanism of 1/3[111] dislocations and ITBs and the associated migration of ITBs.

Grain Boundary Engineering of Electrodeposited Thin Films

DEFF Research Database (Denmark)

Alimadadi, Hossein

is not yet well-understood. This, at least partly, owes to the lack of robust characterization methods for analyzing the nature of grain boundaries including the grain boundary plane characteristics, until recently. In the past decade, significant improvements in the 2-dimensional and 3-dimensional analysis...... of the favorable boundaries that break the network of general grain boundaries. Successful dedicated synthesis of a textured nickel film fulfilling the requirements of grain boundary engineered materials, suggests improved boundary specific properties. However, the textured nickel film shows fairly low...... thermal stability and growth twins annihilate by thermal treatment at 600 degree C. In contrast, for oriented grains, growth nano-twins which are enveloped within columnar grains show a high thermal stability even after thermal treatment at 600 degree C. In order to exploit the high thermal...

Concurrent grain boundary motion and grain rotation under an applied stress

International Nuclear Information System (INIS)

Gorkaya, Tatiana; Molodov, Konstantin D.; Molodov, Dmitri A.; Gottstein, Guenter

2011-01-01

Simultaneous shear coupling and grain rotation were observed experimentally during grain boundary migration in high-purity Al bicrystals subjected to an external mechanical stress at elevated temperatures. This behavior is interpreted in terms of the structure of the investigated planar 18.2 o non-tilt grain boundary with a 20 o twist component. For characterization of the grain rotation after annealing under stress the bicrystal surface topography across the boundary was measured by atomic force microscopy. The temperature dependence of the boundary migration rate was measured and the migration activation energy determined.

Molecular Dynamics Simulations of Grain Boundary and Bulk Diffusion in Metals.

Science.gov (United States)

Plimpton, Steven James

Diffusion is a microscopic mass transport mechanism that underlies many important macroscopic phenomena affecting the structural, electrical, and mechanical properties of metals. This thesis presents results from atomistic simulation studies of diffusion both in bulk and in the fast diffusion paths known as grain boundaries. Using the principles of molecular dynamics single boundaries are studied and their structure and dynamic properties characterized. In particular, tilt boundary bicrystal and bulk models of fcc Al and bcc alpha-Fe are simulated. Diffusion coefficients and activation energies for atomic motion are calculated for both models and compared to experimental data. The influence of the interatomic pair potential on the diffusion is studied in detail. A universal relation between the melting temperature that a pair potential induces in a simulated bulk model and the potential energy barrier height for atomic hopping is derived and used to correlate results for a wide variety of pair potentials. Using these techniques grain boundary and bulk diffusion coefficients for any fcc material can be estimated from simple static calculations without the need to perform more time-consuming dynamic simulations. The influences of two other factors on grain boundary diffusion are also studied because of the interest of the microelectronics industry in the diffusion related reliability problem known as electromigration. The first factor, known to affect the self diffusion rate of Al, is the presence of Cu impurity atoms in Al tilt boundaries. The bicrystal model for Al is seeded randomly with Cu atoms and a simple hybrid Morse potential used to model the Al-Cu interaction. While some effect due to the Cu is noted, it is concluded that pair potentials are likely an inadequate approximation for the alloy system. The second factor studied is the effect of the boundary orientation angle on the diffusion rate. Symmetric bcc Fe boundaries are relaxed to find optimal

Measurement and modeling of radiation-induced grain boundary grain boundary segregation in stainless steels

International Nuclear Information System (INIS)

Bruemmer, S.M.; Charlot, L.A.; Simonen, E.P.

1995-08-01

Grain boundary radiation-induced segregation (RIS) in Fe-Ni-Cr stainless alloys has been measured and modelled as a function of irradiation temperature and dose. Heavy-ion irradiation was used to produce damage levels from 1 to 20 displacements per atom (dpa) at temperatures from 175 to 550 degrees C. Measured Fe, Ni, and Cr segregation increased sharply with irradiation dose (from 0 to 5 dpa) and temperature (from 175 to about 350 degrees C). However, grain boundary concentrations did not change significantly as dose or temperatures were further increased. Impurity segregation (Si and P) was also measured, but only Si enrichment appeared to be radiation-induced. Grain boundary Si levels peaked at an intermediate temperature of ∼325 degrees C reaching levels of ∼8 at. %. Equilibrium segregation of P was measured in the high-P alloys, but interfacial concentration did not increase with irradiation exposure. Examination of reported RIS in neutron-irradiated stainless steels revealed similar effects of irradiation dose on grain boundary compositional changes for both major alloying and impurity element's. The Inverse Kirkendall model accurately predicted major alloying element RIS in ion- and neutron-irradiated alloys over the wide range of temperature and dose conditions. In addition, preliminary calculations indicate that the Johnson-Lam model can reasonably estimate grain boundary Si enrichment if back diffusion is enhanced

A comparison of grain boundary evolution during grain growth in fcc metals

International Nuclear Information System (INIS)

Brons, J.G.; Thompson, G.B.

2013-01-01

Grain growth of Cu and Ni thin films, subjected to in situ annealing within a transmission electron microscope, has been quantified using a precession-enhanced electron diffraction technique. The orientation of each grain and its misorientation with respect to its neighboring grains were calculated. The Cu underwent grain growth that maintained a monomodal grain size distribution, with its low-angle grain boundaries being consumed, and the Ni exhibited grain size distributions in stages, from monomodal to bimodal to monomodal. The onset of Ni’s abnormal grain growth was accompanied by a sharp increase in the Σ3 and Σ9 boundary fractions, which is attributed to simulation predictions of their increased mobility. These Σ3 and Σ9 fractions then dropped to their room temperature values during the third stage of grain growth. In addition to the Σ3 and Σ9 boundaries, the Σ5 and Σ7 boundaries also underwent an increase in total boundary fraction with increasing temperature in both metals

Influence of grain size in the near-micrometre regime on the deformation microstructure in aluminium

International Nuclear Information System (INIS)

Le, G.M.; Godfrey, A.; Hansen, N.; Liu, W.; Winther, G.; Huang, X.

2013-01-01

The effect of grain size on deformation microstructure formation in the near-micrometre grain size regime has been studied using samples of aluminium prepared using a spark plasma sintering technique. Samples in a fully recrystallized grain condition with average grain sizes ranging from 5.2 to 0.8 μm have been prepared using this technique. Examination in the transmission electron microscope of these samples after compression at room temperature to approximately 20% reduction reveals that grains larger than 7 μm are subdivided by cell block boundaries similar to those observed in coarse-grained samples, with a similar dependency on the crystallographic orientation of the grains. With decreasing grain size down to approx. 1 μm there is a gradual transition from cell block structures to cell structures. At even smaller grain sizes of down to approx. 0.5 μm the dominant features are dislocation bundles and random dislocations, although at a larger compressive strain of 30% dislocation rotation boundaries may also be found in the interior of grains of this size. A standard 〈1 1 0〉 fibre texture is found for all grain sizes, with a decreasing sharpness with decreasing grain size. The structural transitions with decreasing grain size are discussed based on the general principles of grain subdivision by deformation-induced dislocation boundaries and of low-energy dislocation structures as applied to the not hitherto explored near-micrometre grain size regime

Symmetry Aspects of Dislocation-Effected Crystal Properties: Material Strength Levels and X-ray Topographic Imaging

Directory of Open Access Journals (Sweden)

Ronald W. Armstrong

2014-03-01

Full Text Available Several materials science type research topics are described in which advantageous use of crystal symmetry considerations has been helpful in ferreting the essential elements of dislocation behavior in determining material properties or for characterizing crystal/polycrystalline structural relationships; for example: (1 the mechanical strengthening produced by a symmetrical bicrystal grain boundary; (2 cleavage crack formation at the intersection within a crystal of symmetrical dislocation pile-ups; (3 symmetry aspects of anisotropic crystal indentation hardness measurements; (4 X-ray diffraction topography imaging of dislocation strains and subgrain boundary misorientations; and (5 point and space group aspects of twinning. Several applications are described in relation to the strengthening of grain boundaries in nanopolycrystals and of multiply-oriented crystal grains in polysilicon photovoltaic solar cell materials. A number of crystallographic aspects of the different topics are illustrated with a stereographic method of presentation.

Defect distribution in deformed grains of Cu-based alloy polycrystals

Science.gov (United States)

Koneva, N. A.; Trishkina, L. I.; Cherkasova, T. V.

2017-12-01

The paper presents transmission electron microscopy data on the grain defect structure formed in deformed Cu-Al polycrystals. The data show that the parameters of dislocation substructures vary with distance from grain boundaries and that a hardened zone arises near the grain boundaries and its size depends on the grain size.

Low-Energy Dislocation Structure (LEDS) character of dislocation boundaries aligned with slip planes in rolled aluminium

DEFF Research Database (Denmark)

Winther, Grethe; Hong, Chuanshi; Huang, Xiaoxu

2015-01-01

For the specific slip geometry of two sets of coplanar systems (a total of four systems) in fcc metals, the range of dislocation networks in boundaries aligned with one of the two active slip planes is predicted from the Frank equation for boundaries free of long-range elastic stresses. Detailed...

GRAIN-BOUNDARY PRECIPITATION UNDER IRRADIATION IN DILUTE BINARY ALLOYS

Institute of Scientific and Technical Information of China (English)

S.H. Song; Z.X. Yuan; J. Liu; R.G.Faulkner

2003-01-01

Irradiation-induced grain boundary segregation of solute atoms frequently bring about grain boundary precipitation of a second phase because of its making the solubility limit of the solute surpassed at grain boundaries. Until now the kinetic models for irradiation-induced grain boundary precipitation have been sparse. For this reason, we have theoretically treated grain boundary precipitation under irradiation in dilute binary alloys. Predictions ofγ'-Ni3Si precipitation at grain boundaries ave made for a dilute Ni-Si alloy subjected to irradiation. It is demonstrated that grain boundary silicon segregation under irradiation may lead to grain boundaryγ'-Ni3 Si precipitation over a certain temperature range.

Interactions of impurities with a moving grain boundary

Energy Technology Data Exchange (ETDEWEB)

Bauer, C L [Carnegie-Mellon Univ., Pittsburgh, Pa. (USA)

1975-01-01

Most theories developed to explain interaction of impurities with a moving grain boundary involve a uniform excess impurity concentration distributed along a planar grain boundary. As boundary velocity increases, the excess impurities exert a net drag force on the boundary until a level is reached whereat the drag force no longer can balance the driving force and breakaway of the boundary from these impurities occurs. In this investigation, assumptions of a uniform lateral impurity profile and a planar grain boundary shape are relaxed by allowing both forward and lateral diffusion of impurities in the vicinity of a grain boundary. It is found that the two usual regions (drag of impurities by, and breakaway of a planar grain boundary) are separated by an extensive region wherein a uniform lateral impurity profile and a planar grain boundary shape are unstable. It is suspected that, in this unstable region, grain boundaries assume a spectrum of more complex morphologies and that elucidation of these morphologies can provide the first definitive description of the breakaway process and insight to more complex phenomena such as solid-solution strengthening, grain growth and secondary recrystallization.

Grain boundary corrosion of copper canister material

International Nuclear Information System (INIS)

Fennell, P.A.H.; Graham, A.J.; Smart, N.R.; Sofield, C.J.

2001-03-01

The proposed design for a final repository for spent fuel and other long-lived residues in Sweden is based on the multi-barrier principle. The waste will be encapsulated in sealed cylindrical canisters, which will then be placed in granite bedrock and surrounded by compacted bentonite clay. The canister design is based on a thick cast inner container fitted inside a corrosion-resistant copper canister. During fabrication of the outer copper canisters there will be some unavoidable grain growth in the welded areas. As grains grow they will tend to concentrate impurities within the copper at the new grain boundaries. The work described in this report was undertaken to determine whether there is any possibility of enhanced corrosion at grain boundaries within the copper canister. The potential for grain boundary corrosion was investigated by exposing copper specimens, which had undergone different heat treatments and hence had different grain sizes, to aerated artificial bentonite-equilibrated groundwater with two concentrations of chloride, for increasing periods of time. The degree of grain boundary corrosion was determined by atomic force microscopy (AFM) and optical microscopy. AFM showed no increase in grain boundary 'ditching' for low chloride groundwater. In high chloride groundwater the surface was covered uniformly with a fine-grained oxide. No increases in oxide thickness were observed. No significant grain boundary attack was observed using optical microscopy either. The work suggests that in aerated artificial groundwaters containing chloride ions, grain boundary corrosion of copper is unlikely to adversely affect SKB's copper canisters

The influence of vortex pinning and grain boundary structure on critical currents across grain boundaries in YBa2Cu3Ox

International Nuclear Information System (INIS)

Miller, D. J.

1998-01-01

We have used studies of single grain boundaries in YBCO thin films and bulk bicrystals to study the influence of vortex pinning along a grain boundary on dissipation. The critical current density for transport across grain boundaries in thin films is typically more than an order of magnitude larger than that measured for transport across grain boundaries in bulk samples. For low disorientation angles, the difference in critical current density within the grains that form the boundary can contribute to the substantial differences in current density measured across the boundary. However, substantial differences exist in the critical current density across boundaries in thin film compared to bulk bicrystals even in the higher angle regime in which grain boundary dissipation dominates. The differences in critical current density in this regime can be understood on the basis of vortex pinning along the boundary

Gap States at Low-Angle Grain Boundaries in Monolayer Tungsten Diselenide

KAUST Repository

Huang, Yu Li

2016-05-03

Two-dimensional (2D) transition metal dichalcogenides (TMDs) have revealed many novel properties of interest to future device applications. In particular, the presence of grain boundaries (GBs) can significantly influence the material properties of 2D TMDs. However, direct characterization of the electronic properties of the GB defects at the atomic scale remains extremely challenging. In this study, we employ scanning tunneling microscopy and spectroscopy to investigate the atomic and electronic structure of low-angle GBs of monolayer tungsten diselenide (WSe2) with misorientation angles of 3-6°. Butterfly features are observed along the GBs, with the periodicity depending on the misorientation angle. Density functional theory calculations show that these butterfly features correspond to gap states that arise in tetragonal dislocation cores and extend to distorted six-membered rings around the dislocation core. Understanding the nature of GB defects and their influence on transport and other device properties highlights the importance of defect engineering in future 2D device fabrication. © 2016 American Chemical Society.

Gap States at Low-Angle Grain Boundaries in Monolayer Tungsten Diselenide

KAUST Repository

Huang, Yu Li; Ding, Zijing; Zhang, Wenjing; Chang, Yung-Huang; Shi, Yumeng; Li, Lain-Jong; Song, Zhibo; Zheng, Yu Jie; Chi, Dongzhi; Quek, Su Ying; Wee, Andrew T. S.

2016-01-01

Two-dimensional (2D) transition metal dichalcogenides (TMDs) have revealed many novel properties of interest to future device applications. In particular, the presence of grain boundaries (GBs) can significantly influence the material properties of 2D TMDs. However, direct characterization of the electronic properties of the GB defects at the atomic scale remains extremely challenging. In this study, we employ scanning tunneling microscopy and spectroscopy to investigate the atomic and electronic structure of low-angle GBs of monolayer tungsten diselenide (WSe2) with misorientation angles of 3-6°. Butterfly features are observed along the GBs, with the periodicity depending on the misorientation angle. Density functional theory calculations show that these butterfly features correspond to gap states that arise in tetragonal dislocation cores and extend to distorted six-membered rings around the dislocation core. Understanding the nature of GB defects and their influence on transport and other device properties highlights the importance of defect engineering in future 2D device fabrication. © 2016 American Chemical Society.

Charging effect at grain boundaries of MoS2

Science.gov (United States)

Yan, Chenhui; Dong, Xi; Li, Connie H.; Li, Lian

2018-05-01

Grain boundaries (GBs) are inherent extended defects in chemical vapor deposited (CVD) transition metal dichalcogenide (TMD) films. Characterization of the atomic structure and electronic properties of these GBs is crucial for understanding and controlling the properties of TMDs via defect engineering. Here, we report the atomic and electronic structure of GBs in CVD grown MoS2 on epitaxial graphene/SiC(0001). Using scanning tunneling microscopy/spectroscopy, we find that GBs mostly consist of arrays of dislocation cores, where the presence of mid-gap states shifts both conduction and valence band edges by up to 1 eV. Our findings demonstrate the first charging effect near GBs in CVD grown MoS2, providing insights into the significant impact GBs can have on materials properties.

Quantitative analysis of dislocation arrangements induced by electromigration in a passivated Al (0.5 wt % Cu) interconnect

Science.gov (United States)

Barabash, R. I.; Ice, G. E.; Tamura, N.; Valek, B. C.; Bravman, J. C.; Spolenak, R.; Patel, J. R.

2003-05-01

Electromigration during accelerated testing can induce plastic deformation in apparently undamaged Al interconnect lines as recently revealed by white beam scanning x-ray microdiffraction. In the present article, we provide a first quantitative analysis of the dislocation structure generated in individual micron-sized Al grains during an in situ electromigration experiment. Laue reflections from individual interconnect grains show pronounced streaking during the early stages of electromigration. We demonstrate that the evolution of the dislocation structure during electromigration is highly inhomogeneous and results in the formation of unpaired randomly distributed dislocations as well as geometrically necessary dislocation boundaries. Approximately half of all unpaired dislocations are grouped within the walls. The misorientation created by each boundary and density of unpaired individual dislocations is determined. The origin of the observed plastic deformation is considered in view of the constraints for dislocation arrangements under the applied electric field during electromigration.

Subgroup report on grain boundary and interphase boundary structure and properties

International Nuclear Information System (INIS)

Balluffi, R.W.; Cannon, R.M.; Clarke, D.R.; Heuer, A.H.; Ho, P.S.; Kear, B.H.; Vitek, V.; Weertman, J.R.; White, C.L.

1979-01-01

In many high temperature structural applications, the performance characteristics of a materials system are largely controlled by the properties of its grain and interphase boundaries. Failure in creep and fatigue frequently occurs by cavitation, or cracking along grain boundaries. In a few special cases, this failure problem has been overcome by directional alignment of grain and interphase boundaries by various types of metallurgical processing such as directional solidification and directional recrystallization. A good example is to be found in the application of directionally aligned structures in high performance gas-turbine airfoils. However, where fine, equiaxed grain structures are desirable, other methods of controlling grain boundary properties have been developed. Important among these has been the introduction of improvements in primary melting practices, designed to control important impurities. This is of decisive importance because even traces of certain impurity elements present in grain boundaries in high temperature materials can seriously affect properties. Impurities are deleterious and need to be removed. However, in certain cases, (e.g., creep fracture) controlled impurity additions can be beneficial and result in improved properties

Grain Boundaries From Theory to Engineering

CERN Document Server

Priester, Louisette

2013-01-01

Grain boundaries are a main feature of crystalline materials. They play a key role in determining the properties of materials, especially when grain size decreases and even more so with the current improvements of  processing tools and methods that allow us to control various elements in a polycrystal. This book presents the theoretical basis of the study of  grain boundaries and aims to open up new lines of research in this area. The treatment is light on mathematical approaches while emphasizing practical examples; the issues they raise are discussed with reference to theories. The general approach of the book has two main goals: to lead the reader from the concept of ‘ideal’ to ‘real’ grain boundaries; to depart from established knowledge and address the opportunities emerging through "grain boundary engineering",  the control of morphological and crystallographic features that affect material properties. The book is divided in three parts:  I ‘From interganular order to disorder’ deals wit...

Nucleation of dislocations from [0 0 1] bicrystal interfaces in aluminum

International Nuclear Information System (INIS)

Spearot, Douglas E.; Jacob, Karl I.; McDowell, David L.

2005-01-01

It is well established from molecular dynamics simulations that grain boundaries in nanocrystalline samples serve as sources of dislocations. In this work, we use molecular dynamics simulations to study the mechanisms associated with dislocation nucleation from bicrystal [0 0 1] interfaces in aluminum. Three interface misorientations are studied, including the Σ5 (3 1 0) boundary, which has a high density of coincident atomic sites. Molecular dynamics simulations show that full dislocation loops are nucleated from each interface during uniaxial tension. After the second partial dislocation is emitted, a ledge remains within the interface at the intersection of the slip plane and the bicrystal boundary. A disclination dipole model is proposed for the structure of the distorted interface accounting for local lattice rotations and the ledge at the nucleation site

Contributions to yield strength in an ultrafine grained 1050 aluminum alloy after DC current annealing

International Nuclear Information System (INIS)

Cao, Yiheng; He, Lizi; Zhou, Yizhou; Wang, Ping; Cui, Jianzhong

2016-01-01

The ultrafine grained (UFG) 1050 aluminum alloy was prepared by equal channel angular pressing at cryogenic temperature (cryoECAP). The evolution of the yield strength and microstructures of UFG 1050 aluminum alloy after direct electric current (DC current) annealing at 150–400 °C for 1 h were investigated by tensile test, electron back scattering diffraction pattern (EBSD) and transmission electron microscopy (TEM). For the cryoECAPed and annealed samples at 150–250 °C, the predominant boundaries are high angle boundaries (HABs) (>60%), many dislocations accumulate at subgrain and/or grain boundaries, the yield strength (126–159 MPa) mainly comes from the dislocation and grain boundary strengthening contributions. While an unusual increase in the yield strength (by 8.1–11.2%) observed in samples annealed at 150–200 °C is attributed to an additional strengthening contribution from the more HABs having stable structures which can act as effective barriers to dislocation motion during tensile deformation. When annealing at 300–400 °C, the microstructures are free of dislocations, the yield strength (29–45 MPa) comes from the grain boundary strengthening contribution. With the application of DC current, the larger grain size, lower dislocation density and higher fraction of LABs having misorientation angle between 3−7° in samples annealed at 150–250 °C result in the lower yield strength, while the smaller average grain sizes in samples annealed at 300–400 °C cause the higher yield strength.

Contributions to yield strength in an ultrafine grained 1050 aluminum alloy after DC current annealing

Energy Technology Data Exchange (ETDEWEB)

Cao, Yiheng [Key Lab of Electromagnetic Processing of Materials, Ministry of Education, Northeastern University, Shenyang 110819 (China); He, Lizi, E-mail: helizi@epm.neu.edu.cn [Key Lab of Electromagnetic Processing of Materials, Ministry of Education, Northeastern University, Shenyang 110819 (China); School of Materials Science and Engineering, Northeastern University, Shenyang 110819 (China); Zhou, Yizhou [Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Wang, Ping; Cui, Jianzhong [Key Lab of Electromagnetic Processing of Materials, Ministry of Education, Northeastern University, Shenyang 110819 (China); School of Materials Science and Engineering, Northeastern University, Shenyang 110819 (China)

2016-09-30

The ultrafine grained (UFG) 1050 aluminum alloy was prepared by equal channel angular pressing at cryogenic temperature (cryoECAP). The evolution of the yield strength and microstructures of UFG 1050 aluminum alloy after direct electric current (DC current) annealing at 150–400 °C for 1 h were investigated by tensile test, electron back scattering diffraction pattern (EBSD) and transmission electron microscopy (TEM). For the cryoECAPed and annealed samples at 150–250 °C, the predominant boundaries are high angle boundaries (HABs) (>60%), many dislocations accumulate at subgrain and/or grain boundaries, the yield strength (126–159 MPa) mainly comes from the dislocation and grain boundary strengthening contributions. While an unusual increase in the yield strength (by 8.1–11.2%) observed in samples annealed at 150–200 °C is attributed to an additional strengthening contribution from the more HABs having stable structures which can act as effective barriers to dislocation motion during tensile deformation. When annealing at 300–400 °C, the microstructures are free of dislocations, the yield strength (29–45 MPa) comes from the grain boundary strengthening contribution. With the application of DC current, the larger grain size, lower dislocation density and higher fraction of LABs having misorientation angle between 3−7° in samples annealed at 150–250 °C result in the lower yield strength, while the smaller average grain sizes in samples annealed at 300–400 °C cause the higher yield strength.

Motion of 1/3⟨111⟩ dislocations on Σ3 {112} twin boundaries in nanotwinned copper

Science.gov (United States)

Lu, N.; Du, K.; Lu, L.; Ye, H. Q.

2014-01-01

The atomic structure of Σ3 {112} ITBs in nanotwinned Cu is investigated by using aberration-corrected high resolution transmission electron microscopy (HRTEM) and in situ HRTEM observations. The Σ3 {112} ITBs are consisted of periodically repeated three partial dislocations. The in situ HRTEM results show that 1/3[111] partial dislocation moves on the Σ3 {112} incoherent twin boundary (ITB), which was accompanied by a migration of the ITB. A dislocation reaction mechanism is proposed for the motion of 1/3[111] Frank partial dislocation, in which the 1/3[111] partial dislocation exchanges its position with twin boundary dislocations in sequence. In this way, the 1/3[111] dislocation can move on the incoherent twin boundary in metals with low stacking fault energy. Meanwhile, the ITB will migrate in its normal direction accordingly. These results provide insight into the reaction mechanism of 1/3[111] dislocations and ITBs and the associated migration of ITBs.

Grain boundaries in high temperature superconductors

NARCIS (Netherlands)

Hilgenkamp, Johannes W.M.; Mannhart, J.

2002-01-01

Since the first days of high-Tc superconductivity, the materials science and the physics of grain boundaries in superconducting compounds have developed into fascinating fields of research. Unique electronic properties, different from those of the grain boundaries in conventional metallic

Theory of interacting dislocations on cylinders.

Science.gov (United States)

Amir, Ariel; Paulose, Jayson; Nelson, David R

2013-04-01

We study the mechanics and statistical physics of dislocations interacting on cylinders, motivated by the elongation of rod-shaped bacterial cell walls and cylindrical assemblies of colloidal particles subject to external stresses. The interaction energy and forces between dislocations are solved analytically, and analyzed asymptotically. The results of continuum elastic theory agree well with numerical simulations on finite lattices even for relatively small systems. Isolated dislocations on a cylinder act like grain boundaries. With colloidal crystals in mind, we show that saddle points are created by a Peach-Koehler force on the dislocations in the circumferential direction, causing dislocation pairs to unbind. The thermal nucleation rate of dislocation unbinding is calculated, for an arbitrary mobility tensor and external stress, including the case of a twist-induced Peach-Koehler force along the cylinder axis. Surprisingly rich phenomena arise for dislocations on cylinders, despite their vanishing Gaussian curvature.

Room temperature deformation mechanisms in ultrafine-grained materials processed by hot isostatic pressing

International Nuclear Information System (INIS)

Cao, W.Q.; Dirras, G.F.; Benyoucef, M.; Bacroix, B.

2007-01-01

Ultrafine-grained (uf-g) and microcrystalline-grained (mc-g) irons have been fabricated by hot isostatic pressing of nanopowders. The mechanical properties have been characterized by compressive tests at room temperature and the resulting microstructures and textures have been determined by combining electron back scatter diffraction and transmission electron microscopy. A transition of the deformation mode, from work hardening to work softening occurs for grain sizes below ∼1 μm, reflecting a transition of the deformation mode from homogeneous to localized deformation into shear bands (SBs). The homogeneous deformation is found to be lattice dislocation-based while the deformation within SBs involves lattice dislocations as well as boundary-related mechanisms, possibly grain boundary sliding accommodated by boundary opening

Molecular dynamics study of the role of symmetric tilt grain boundaries on the helium distribution in nickel

Science.gov (United States)

Torres, E.; Pencer, J.

2018-04-01

Helium impurities, from either direct implantation or transmutation reactions, have been associated with embrittlement in nickel-based alloys. Helium has very low solubility in nickel, and has been found to aggregate at lattice defects such as vacancies, dislocations, and grain boundaries. The retention and precipitation of helium in nickel-based alloys have deleterious effects on the material mechanical properties. However, the underlying mechanisms that lead to helium effects in the host metal are not fully understood. In the present work, we investigate the role of symmetric tilt grain boundary (STGB) structures on the distribution of helium in nickel using molecular dynamics simulations. We investigate the family of STGBs specific to the 〈 110 〉 tilt axis. The present results indicate that accumulation of helium at the grain boundary may be modulated by details of grain boundary geometry. A plausible correlation between the grain boundary energy and misorientation with the accumulation and mobility of helium is proposed. Small clusters with up to 6 helium atoms show significant interstitial mobility in the nickel bulk, but also become sites for nucleation and grow of more stable helium clusters. High-energy GBs are found mainly populated with small helium clusters. The high mobility of small clusters along the GBs indicates the role of these GBs as fast two-dimensional channels for diffusion. In contrast, the accumulation of helium in large helium clusters at low-energy STGB creates a favorable environment for the formation of large helium bubbles, indicating a potential role for low-energy STGB in promoting helium-induced GB embrittlement.

Towards realistic molecular dynamics simulations of grain boundary mobility

International Nuclear Information System (INIS)

Zhou, J.; Mohles, V.

2011-01-01

In order to investigate grain boundary migration by molecular dynamics (MD) simulations a new approach involving a crystal orientation-dependent driving force has been developed by imposing an appropriate driving force on grain boundary atoms and enlarging the effective range of driving force. The new approach has been validated by the work of the driving force associated with the motion of grain boundaries. With the new approach the relation between boundary migration velocity and driving force is found to be nonlinear, as was expected from rate theory for large driving forces applied in MD simulations. By evaluating grain boundary mobility nonlinearly for a set of symmetrical tilt boundaries in aluminum at high temperature, high-angle grain boundaries were shown to move much faster than low-angle grain boundaries. This agrees well with experimental findings for recrystallization and grain growth. In comparison with the available data the simulated mobility of a 38.21 o Σ7 boundary was found to be significantly lower than other MD simulation results and comparable with the experimental values. Furthermore, the average volume involved during atomic jumps for boundary migration is determined in MD simulations for the first time. The large magnitude of the volume indicates that grain boundary migration is accomplished by the correlated motion of atom groups.

Grain boundary structure and properties

International Nuclear Information System (INIS)

Balluffi, R.W.

1979-05-01

An attempt is made to distinguish those fundamental aspects of grain boundaries which should be relevant to the problem of the time dependent fracture of high temperature structural materials. These include the basic phenomena which are thought to be associated with cavitation and cracking at grain boundaries during service and with the more general microstructural changes which occur during both processing and service. A very brief discussion of the current state of knowledge of these fundamentals is given

Uniaxial stress-driven coupled grain boundary motion in hexagonal close-packed metals: A molecular dynamics study

International Nuclear Information System (INIS)

Zong, Hongxiang; Ding, Xiangdong; Lookman, Turab; Li, Ju; Sun, Jun

2015-01-01

Stress-driven grain boundary (GB) migration has been evident as a dominant mechanism accounting for plastic deformation in crystalline solids. Using molecular dynamics (MD) simulations on a Ti bicrystal model, we show that a uniaxial stress-driven coupling is associated with the recently observed 90° GB reorientation in shock simulations and nanopillar compression measurements. This is not consistent with the theory of shear-induced coupled GB migration. In situ atomic configuration analysis reveals that this GB motion is accompanied by the glide of two sets of parallel dislocation arrays, and the uniaxial stress-driven coupling is explained through a composite action of symmetrically distributed dislocations and deformation twins. In addition, the coupling factor is calculated from MD simulations over a wide range of temperatures. We find that the coupled motion can be thermally damped (i.e., not thermally activated), probably due to the absence of the collective action of interface dislocations. This uniaxial coupled mechanism is believed to apply to other hexagonal close-packed metals

Grain boundary and grain interior conduction in γ'-Bi2MoO6

International Nuclear Information System (INIS)

Vera, C.M.C.; Aragon, R.

2005-01-01

Impedance spectroscopy of fine grained ( 2 MoO 6 samples, in the frequency range of 0.1 Hz-250 kHz, relevant to sensor applications, up to 800 deg. C, has been used to characterize grain boundary and grain interior contributions to conduction. Above 500 deg. C, the grain boundary contribution is no longer rate limiting and conduction is dominated by the grain interior component. The corresponding activation energies are 0.98 eV for grain boundary and 0.73 eV for grain interior components. The weak dependence of conductivity on oxygen partial pressure below 500 deg. C can be attributed to electrode-electrolyte interface phenomena, whereas the robust response to ethanol is commensurate with changes in intrinsic ionic conductivity

Tracer concentration contours in grain lattice and grain boundary diffusion

International Nuclear Information System (INIS)

Kim, Y. S.; Olander, D. R.

1997-01-01

Grain boundary diffusion plays a significant role in fission gas release, which is one of the crucial processes dominating nuclear fuel performance. Gaseous fission products such as Xe and Kr generated during nuclear fission have to diffuse in the grain lattice and the boundary inside fuel pellets before they reach the open spaces in a fuel rod. These processes can be studied by 'tracer diffusion' techniques, by which grain boundary diffusivity can be estimated and directly used for low burn-up fission gas release analysis. However, only a few models accounting for the both processes are available and mostly handle them numerically due to mathematical complexity. Also the numerical solution has limitations in a practical use. In this paper, an approximate analytical solution in case of stationary grain boundary in a polycrystalline solid is developed for the tracer diffusion techniques. This closed-form solution is compared to available exact and numerical solutions and it turns out that it makes computation not only greatly easier but also more accurate than previous models. It can be applied to theoretical modelings for low burn-up fission gas release phenomena and experimental analyses as well, especially for PIE (post irradiation examination). (author)

Gradients of geometrically necessary dislocations from white beam microdiffraction

International Nuclear Information System (INIS)

Barabash, R.I.; Ice, G.E.; Pang, J.W.L.

2005-01-01

Variations in the local crystallographic orientation due to the presence of geometrically necessary dislocations and dislocation boundaries smear the distribution of intensity near Laue reflections. Here, some simple model distributions of geometrically necessary dislocations, GNDs, are used to estimate the dislocation tensor field from the intensity distribution of Laue peaks. Streaking of the Laue spots is found to be quantitatively and qualitatively distinct depending on the ratio between the absorption coefficient and the GND density gradient. In addition, different slip systems cause distinctly different Laue-pattern streaking. Experimental Laue patterns are therefore sensitive to stored dislocations and GNDs. As an example, white beam microdiffraction was applied to characterize the dislocation arrangement in a deformed polycrystalline Ni grain during in situ uniaxial tension

Mathematical simulation of point defect interaction with grain boundaries

International Nuclear Information System (INIS)

Bojko, V.S.

1987-01-01

Published works, where the interaction of point defects and grain boundaries was studied by mathematical simulation methods, have been analysed. Energetics of the vacancy formation both in nuclei of large-angle special grain boundaries and in lattice regions adjoining them has been considered. The data obtained permit to explain specific features of grain-boundary diffusion processes. Results of mathematical simulation of the interaction of impurity atoms and boundaries have been considered. Specific features of the helium atom interaction with large-angle grain boundaries are analysed as well

The helium effect at grain boundaries in Fe-Cr alloys: A first-principles study

Energy Technology Data Exchange (ETDEWEB)

Zemła, M.R., E-mail: marcin.zemla@wimpw.edu.pl [Faculty of Materials Science and Engineering, Warsaw University of Technology, Wołoska 141, 02-507 Warsaw (Poland); Wróbel, J.S.; Wejrzanowski, T. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Wołoska 141, 02-507 Warsaw (Poland); Nguyen-Manh, D. [CCFE, Culham Science Centre, Abingdon, Oxon OX14 3DB (United Kingdom); Kurzydłowski, K.J. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Wołoska 141, 02-507 Warsaw (Poland)

2017-02-15

Helium is produced in the structural materials in nuclear power plants by nuclear transmutation following neutron irradiation. Since the solubility of helium in all metals is extremely low, helium tends to be trapped at defects such as vacancies, dislocations and grain boundaries, which cause material embrittlement. Density functional theory (DFT) calculations were performed in order to investigate the helium effect at grain boundaries (GBs) in iron-chromium alloys. Both cohesive energy and magnetic properties at symmetric Σ3(1 1 1) and Σ5(2 1 0) tilt Fe GBs are studied in the presence of Cr and He atoms. It is found that the presence of Cr atoms increases cohesive energy, at different He concentrations, and strongly influences magnetic properties at the GBs. The effect of the segregation energy of helium atom as a function of the different positions of Cr atoms located inside/outside a GB has been considered. Results of the present first-principles study enable one to clarify the role of Cr in understanding the helium effect in Fe-Cr-based alloys.

Role of Grain Boundaries under Long-Time Radiation

Science.gov (United States)

Zhu, Yichao; Luo, Jing; Guo, Xu; Xiang, Yang; Chapman, Stephen Jonathan

2018-06-01

Materials containing a high proportion of grain boundaries offer significant potential for the development of radiation-resistant structural materials. However, a proper understanding of the connection between the radiation-induced microstructural behavior of a grain boundary and its impact at long natural time scales is still missing. In this Letter, point defect absorption at interfaces is summarized by a jump Robin-type condition at a coarse-grained level, wherein the role of interface microstructure is effectively taken into account. Then a concise formula linking the sink strength of a polycrystalline aggregate with its grain size is introduced and is well compared with experimental observation. Based on the derived model, a coarse-grained formulation incorporating the coupled evolution of grain boundaries and point defects is proposed, so as to underpin the study of long-time morphological evolution of grains induced by irradiation. Our simulation results suggest that the presence of point defect sources within a grain further accelerates its shrinking process, and radiation tends to trigger the extension of twin boundary sections.

A grain boundary phase transition in Si–Au

International Nuclear Information System (INIS)

Ma, Shuailei; Meshinchi Asl, Kaveh; Tansarawiput, Chookiat; Cantwell, Patrick R.; Qi, Minghao; Harmer, Martin P.; Luo, Jian

2012-01-01

A grain boundary transition from a bilayer to an intrinsic (nominally clean) boundary is observed in Si–Au. An atomically abrupt transition between the two complexions (grain boundary stabilized phases) implies the occurrence of a first-order interfacial phase transition associated with a discontinuity in the interfacial excess. This observation supports a grain-boundary complexion theory with broad applications. This transition is atypical in that the monolayer complexion is absent. A model is proposed to explain the bilayer stabilization and the origin of this complexion transition.

Electronic and atomic structures of KFe2Se2 grain boundaries

International Nuclear Information System (INIS)

Fan, Wei; Liu, Da-Yong; Zeng, Zhi

2014-01-01

Highlights: •Twist grain boundary has lower grain-boundary energy. •Twist grain-boundary has similar electronic structure to that in crystal. •Charge and magnetic-moment fluctuations are large within tilt grain boundary. •Bi-collinear AFM is most stable even with existence of grain boundary. •Insulating Fe-vacancy phase is stable with existence of twist grain boundary. -- Abstract: The electronic and atomic structures of the twist and tilt grain boundaries (GB) of the iron-based superconductor KFe 2 Se 2 are studied based on the simulations of the first principles density functional theory. Our results have clarified that the Σ5[0 0 1] twist grain boundary of KFe 2 Se 2 with layered structure has the lower grain-boundary energy. The local structure and the main features of the basic electronic structure within the [0 0 1] twist grain-boundary region have small differences compared with those in KFe 2 Se 2 crystal. The large fluctuations of the charges and magnetic moments are found in the [0 0 1] tilt grain-boundary regions, especially the former are more prominent. The bi-collinear anti-ferromagnetic order is the most stable magnetic order even with grain boundaries in the bulk. The √(5)a×√(5)a superstructure of Fe-vacancies in K 2 Fe 4 Se 5 phase is intrinsically related to the coincident-site lattice of Σ5[0 0 1] twist grain boundary

Basic aspects of high-Tc grain boundary devices

International Nuclear Information System (INIS)

Mannhart, J.; Moler, K.A.; Sigrist, M.

1996-01-01

Grain boundaries are extensively used as high-quality Josephson junctions in high-T c superconductors. Their superconducting characteristics can generally be well described by conventional models of strongly coupled Josephson junctions. Here, we report on highly anomalous critical current vs. magnetic field dependencies of grain boundaries in YBa 2 Cu 3 O 7-x . Direct imaging with scanning SQUID microscopy provides evidence of magnetic flux generated by single grain boundaries. Conventional Josephson junction models cannot explain these effects if a superconducting order parameter with a pure s-wave symmetry is assumed. The results have significant implications for our understanding of the properties of grain boundaries in high-T c superconductors and for their applications. (orig.)

Grain boundary and triple junction diffusion in nanocrystalline copper

Energy Technology Data Exchange (ETDEWEB)

Wegner, M., E-mail: m.wegner@uni-muenster.de; Leuthold, J.; Peterlechner, M.; Divinski, S. V., E-mail: divin@uni-muenster.de [Institut für Materialphysik, Universität Münster, Wilhelm-Klemm-Straße 10, D-48149, Münster (Germany); Song, X., E-mail: xysong@bjut.edu.cn [College of Materials Science and Engineering, Beijing University of Technology, 100124 Beijing (China); Wilde, G. [Institut für Materialphysik, Universität Münster, Wilhelm-Klemm-Straße 10, D-48149, Münster (Germany); Institute of Nanochemistry and Nanobiology, School of Environmental and Chemical Engineering, Shanghai University, 200444 Shanghai (China)

2014-09-07

Grain boundary and triple junction diffusion in nanocrystalline Cu samples with grain sizes, 〈d〉, of ∼35 and ∼44 nm produced by spark plasma sintering were investigated by the radiotracer method using the {sup 63}Ni isotope. The measured diffusivities, D{sub eff}, are comparable with those determined previously for Ni grain boundary diffusion in well-annealed, high purity, coarse grained, polycrystalline copper, substantiating the absence of a grain size effect on the kinetic properties of grain boundaries in a nanocrystalline material at grain sizes d ≥ 35 nm. Simultaneously, the analysis predicts that if triple junction diffusion of Ni in Cu is enhanced with respect to the corresponding grain boundary diffusion rate, it is still less than 500⋅D{sub gb} within the temperature interval from 420 K to 470 K.

Toward interplay between substructure evolution, dislocation configuration, and yield strength in a microalloyed steel

International Nuclear Information System (INIS)

Venkatsurya, P.K.C.; Misra, R.D.K.; Mulholland, M.D.; Manohar, M.; Hartmann, J.E.

2014-01-01

We focus our attention here on the directional dependence of yield strength in high strength microalloyed steel using transmission electron microscopy and x-ray diffraction. The primary objective is to study the interplay between substructural evolution, notably cell size, dense dislocation walls (DDWs), dislocation tangle zones (DTZs), lamellar boundaries, crystallographic texture, and yield strength. The study elucidates for the first time the strong impact of thermo-mechanical deformation-induced dislocation and lamellar structures, which are likely to modify the slip pattern, leading to directional dependence of yield strength. Majority of the dislocations tend to pile along the {110} slip planes as dense dislocation walls. At low strains, grains are first divided into cell blocks that are nearly dislocation-free. At higher strains and with progress in thermo-mechanical processing dislocation tangled zones and lamellar boundaries develop. It is hypothesized that the differences in dislocation configurations, dislocations cells and cell blocks, and lamellar boundaries synergistically contribute to directional dependence of the yield strength in the high strength ferrous alloy. The presumption is envisaged on the basis of observations that the microstructural constituents were similar in the entire plane of the hot rolled strip and the crystallographic texture was weak

Effects of grain size and grain boundaries on defect production in nanocrystalline 3C-SiC

International Nuclear Information System (INIS)

Swaminathan, N.; Kamenski, Paul J.; Morgan, Dane; Szlufarska, Izabela

2010-01-01

Cascade simulations in single crystal and nanocrystalline SiC have been conducted in order to determine the role of grain boundaries and grain size on defect production during primary radiation damage. Cascades are performed with 4 and 10 keV silicon as the primary knock-on atom (PKA). Total defect production is found to increase with decreasing grain size, and this effect is shown to be due to increased production in grain boundaries and changing grain boundary volume fraction. In order to consider in-grain defect production, a new mapping methodology is developed to properly normalize in-grain defect production rates for nanocrystalline materials. It is shown that the presence of grain boundaries does not affect the total normalized in-grain defect production significantly (the changes are lower than ∼20%) for the PKA energies considered. Defect production in the single grain containing the PKA is also studied and found to increase for smaller grain sizes. In particular, for smaller grain sizes the defect production decreases with increasing distance from the grain boundary while for larger grain sizes the presence of the grain boundaries has negligible effect on defect production. The results suggest that experimentally observed changes in radiation resistance of nanocrystalline materials may be due to long-term damage evolution rather than changes in defect production rates from primary damage.

The γ-ε martensitic transformation: a model for stress induced variant and its interaction with grain boundary

International Nuclear Information System (INIS)

Guenin, G.

1995-01-01

The γ (f.c.c.) to ε (h.c.p.) martensitic transformation occurs through the Shockley a/6 left angle 211 right angle faulting every second {111} plane of the f.c.c. structure. A stress induced thin single variant corresponds to a single a/6 left angle 211 right angle faulting vector and leads to a large homogeneous shear (0.35) in amplitude. The tip of such a plate is composed of a set of identical Shockley partial dislocations with large mutual interactions. This work is a presentation of a model which describes the martensite morphology of stress induced ε martensite in shape memory Fe-Mn-Si based alloys. The model includes the formation mechanism of the plate (Seeger's like) and its growth inside a limited grain. The mutual interaction of Shockley dislocations and their interaction with the grain boundary is semi quantitatively described; it leads to a lenticular shape of ε martensite thin plates. The model is able to explain the behaviour of this kind of alloys concerning the superelastic effect and the shape memory. (orig.)

Dynamical simulation of structural multiplicity in grain boundaries

International Nuclear Information System (INIS)

Majid, I.; Bristowe, P.D.

1987-06-01

Work on a computer simulation study of a low-energy high-angle boundary structure which is not periodic have been recently reported. This result is of interest since grain boundary structures are usually assumed to have a periodicity corresponding to the appropriate coincidence site lattice (CSL) and many experimental observations of the structure of grain boundaries performed using conventional and high-resolution electron microscopy, electron diffraction and x-ray diffraction appear to support this work. However, this work, using empirical interatomic pair potentials and the relaxation method of molecular statics, have simulated a Σ = 5 36.87 0 (001) twist boundary and found a low energy structure having a larger repeat cell than the CSL and is composed of two different types of structural unit that are randomly distributed in the boundary plane. This result, which has been termed the multiplicity of grain boundary structures, has also been found in the simulation of tilt boundaries. The multiplicity phenomenon is of special interest in twist boundaries since it is used as a structural model to explain the x-ray scattering from a Σ = 5 boundary in gold. These scattering patterns had previously remained unexplained using stable structures that had simple CSL periodicity. Also, the effect of having a multiple number of low energy structural units coexisting in the grain boundary is of more general interest since it implies that the boundary structures may be quasi-periodic and, in some circumstances, may even result in a roughening of the boundary plane. This paper extends this work by showing, using molecular dynamics, that a multiplicity of structural units can actually nucleate spontaneously in a high-angle grain boundary at finite temperatures

Study of some properties of point defects in grain boundaries

International Nuclear Information System (INIS)

Martin, Georges

1973-01-01

With the aim of deducing simple informations on the grain boundary core structure, we investigated self diffusion under hydrostatic pressure, impurity diffusion (In and Au), electromigration (Sb) along certain types of grain boundaries in Ag bicrystals, and the Moessbauer effect of 57 Co located in the grain boundaries of polycrystalline Be. Our results lead to the following conclusions: the formation of a vacancy like defects is necessary to grain boundary diffusion; solute atoms may release most of their elastic energy of dissolution as they segregate at the boundary; in an electrical field, the drift of Sb ions parallel to the boundary takes place toward the anode as in the bulk. The force on the grain boundary ions is larger than in the bulk; Moessbauer spectroscopy revealed the formation of Co-rich aggregates, which may proves important in the study of early stages of grain boundary precipitation. (author) [fr

Advantageous grain boundaries in iron pnictide superconductors

Science.gov (United States)

Katase, Takayoshi; Ishimaru, Yoshihiro; Tsukamoto, Akira; Hiramatsu, Hidenori; Kamiya, Toshio; Tanabe, Keiichi; Hosono, Hideo

2011-01-01

High critical temperature superconductors have zero power consumption and could be used to produce ideal electric power lines. The principal obstacle in fabricating superconducting wires and tapes is grain boundaries—the misalignment of crystalline orientations at grain boundaries, which is unavoidable for polycrystals, largely deteriorates critical current density. Here we report that high critical temperature iron pnictide superconductors have advantages over cuprates with respect to these grain boundary issues. The transport properties through well-defined bicrystal grain boundary junctions with various misorientation angles (θGB) were systematically investigated for cobalt-doped BaFe2As2 (BaFe2As2:Co) epitaxial films fabricated on bicrystal substrates. The critical current density through bicrystal grain boundary (JcBGB) remained high (>1 MA cm−2) and nearly constant up to a critical angle θc of ∼9°, which is substantially larger than the θc of ∼5° for YBa2Cu3O7–δ. Even at θGB>θc, the decay of JcBGB was much slower than that of YBa2Cu3O7–δ. PMID:21811238

Effect of dislocations on spinodal decomposition in Fe-Cr alloys

International Nuclear Information System (INIS)

Li Yongsheng; Li Shuxiao; Zhang Tongyi

2009-01-01

Phase-field simulations of spinodal decomposition in Fe-Cr alloys with dislocations were performed by using the Cahn-Hilliard diffusion equation. The stress field of dislocations was calculated in real space via Stroh's formalism, while the composition inhomogeneity-induced stress field and the diffusion equation were numerically calculated in Fourier space. The simulation results indicate that dislocation stress field facilitates, energetically and kinetically, spinodal decomposition, making the phase separation faster and the separated phase particles bigger at and near the dislocation core regions. A tilt grain boundary is thus a favorable place for spinodal decomposition, resulting in a special microstructure morphology, especially at the early stage of decomposition.

Properties of grain boundaries in BCC iron and iron-based alloys

International Nuclear Information System (INIS)

Terentyev, D.; He, Xinfu

2010-01-01

The report contains a summary of work done within the collaboration established between SCK-CEN and CIEA, performed during the internship of Xinfu He (CIAE) in the period of September 2009 to June 2010. In this work, we have carried out an atomistic study addressing the properties of grain boundaries in BCC Fe and Fe-Cr alloys. Throughout this work we report on the structural and cohesive properties of grain boundaries; thermal stability; interaction of grain boundaries with He and diffusivity of He in the core of the grain boundaries; equilibrium segregation of Cr near the grain boundary zone; cleavage fracture of grain boundaries; influence of the Cr precipitates, voids and He bubbles on the structure and strength of grain boundaries.

Properties of grain boundaries in BCC iron and iron-based alloys

Energy Technology Data Exchange (ETDEWEB)

Terentyev, D.; He, Xinfu

2010-08-15

The report contains a summary of work done within the collaboration established between SCK-CEN and CIEA, performed during the internship of Xinfu He (CIAE) in the period of September 2009 to June 2010. In this work, we have carried out an atomistic study addressing the properties of grain boundaries in BCC Fe and Fe-Cr alloys. Throughout this work we report on the structural and cohesive properties of grain boundaries; thermal stability; interaction of grain boundaries with He and diffusivity of He in the core of the grain boundaries; equilibrium segregation of Cr near the grain boundary zone; cleavage fracture of grain boundaries; influence of the Cr precipitates, voids and He bubbles on the structure and strength of grain boundaries.

Micromechanical modelling of nanocrystalline and ultrafine grained metals: A short overview

DEFF Research Database (Denmark)

Mishnaevsky, Leon; Levashov, Evgeny

2015-01-01

An overview of micromechanical models of strength and deformation behaviour of nanostructured and ultrafine grained metallic materials is presented. Composite models of nanomaterials, polycrystal plasticity based models, grain boundary sliding, the effect of non-equilibrium grain boundaries...... and nanoscale properties are discussed and compared. The examples of incorporation of peculiar nanocrystalline effects (like large content of amorphous or semi-amorphous grain boundary phase, partial dislocation GB emission/glide/GB absorption based deformation mechanism, diffusion deformation, etc.......) into the continuum mechanical approach are given. The possibilities of using micromechanical models to explore the ways of the improving the properties of nanocrystalline materials by modifying their structures (e.g., dispersion strengthening, creating non-equilibrium grain boundaries, varying the grain size...

Grain boundary corrosion of copper canister weld material

International Nuclear Information System (INIS)

Gubner, Rolf; Andersson, Urban; Linder, Mats; Nazarov, Andrej; Taxen, Claes

2006-01-01

The proposed design for a final repository for spent fuel and other long-lived residues in Sweden is based on the multi-barrier principle. The waste will be encapsulated in sealed cylindrical canisters, which will then be placed in granite bedrock and surrounded by compacted bentonite clay. The canister design is based on a thick cast inner container fitted inside a corrosion-resistant copper canister. During fabrication of the outer copper canisters there will be some unavoidable grain growth in the welded areas. As grains grow, they will tend to concentrate impurities within the copper at the new grain boundaries. The work described in this report was undertaken to determine whether there is any possibility of enhanced corrosion at grain boundaries within the copper canister, based on the recommendations of the report SKB-TR--01-09 (INIS ref. 32025363). Grain boundary corrosion of copper is not expected to be a problem for the copper canisters in a repository. However, as one step in the experimental verification it is necessary to study grain boundary corrosion of copper in an environment where it may occur. A literature study aimed to find one or several solutions that are aggressive with respect to grain boundary corrosion of copper. Copper specimens cut from welds of real copper canisters where exposed to aerated ammonium hydroxide solution for a period of 14 days at 80 degrees C and 10 bar pressure. The samples were investigated prior to exposure using the scanning Kelvin probe technique to characterize anodic and cathodic areas on the samples. The degree of corrosion was determined by optical microscopy. No grain boundary corrosion could be observed in the autoclave experiments, however, a higher rate of corrosion was observed for the weld material compared to the base material. The work suggests that grain boundary corrosion of copper weld material is most unlikely to adversely affect SKB's copper canisters under the conditions in the repository

Grain boundary corrosion of copper canister weld material

Energy Technology Data Exchange (ETDEWEB)

Gubner, Rolf; Andersson, Urban; Linder, Mats; Nazarov, Andrej; Taxen, Claes [Corrosion and Metals Research Inst. (KIMAB), Stockholm (Sweden)

2006-01-15

The proposed design for a final repository for spent fuel and other long-lived residues in Sweden is based on the multi-barrier principle. The waste will be encapsulated in sealed cylindrical canisters, which will then be placed in granite bedrock and surrounded by compacted bentonite clay. The canister design is based on a thick cast inner container fitted inside a corrosion-resistant copper canister. During fabrication of the outer copper canisters there will be some unavoidable grain growth in the welded areas. As grains grow, they will tend to concentrate impurities within the copper at the new grain boundaries. The work described in this report was undertaken to determine whether there is any possibility of enhanced corrosion at grain boundaries within the copper canister, based on the recommendations of the report SKB-TR--01-09 (INIS ref. 32025363). Grain boundary corrosion of copper is not expected to be a problem for the copper canisters in a repository. However, as one step in the experimental verification it is necessary to study grain boundary corrosion of copper in an environment where it may occur. A literature study aimed to find one or several solutions that are aggressive with respect to grain boundary corrosion of copper. Copper specimens cut from welds of real copper canisters where exposed to aerated ammonium hydroxide solution for a period of 14 days at 80 degrees C and 10 bar pressure. The samples were investigated prior to exposure using the scanning Kelvin probe technique to characterize anodic and cathodic areas on the samples. The degree of corrosion was determined by optical microscopy. No grain boundary corrosion could be observed in the autoclave experiments, however, a higher rate of corrosion was observed for the weld material compared to the base material. The work suggests that grain boundary corrosion of copper weld material is most unlikely to adversely affect SKB's copper canisters under the conditions in the repository.

Additive recovery at lateral boundaries of grains under electronic exposure

International Nuclear Information System (INIS)

Plotnikov, S.V.; Postnikov, D.V.

2000-01-01

The experimental investigation of additive re-distribution under electronic beam revealed a recovery of the additive at grain boundaries. Additive accumulation mainly takes place at the boundaries that are perpendicular to material surface, whereas there is no an observed recovery of additive at the boundaries that are parallel to the surface. To construe the processes of additive recovery at grain boundaries, we may use the kinetic diffusion equation describing the mass transfer processes in the presence of temperature gradients and non-equilibrium vacancies. The additive recovery is caused by spot fault gradients near the grain boundary. The grain boundary is an intensive run-off region of vacancies. Therefore, the average vacancy distribution profile near the grain boundary changes its pattern. The above case indicates that there are two additive fluxes. One of them is vectored perpendicular to the surface, and the other one is parallel to it, i.e. it is vectored to the grain boundary. A study of the perpendicular and parallel boundaries shows that there is no additive settling at the boundaries that are parallel to the surface, since the general flux is vectored to the parallel boundaries. There is no such kind of phenomenon at the grain boundaries that are perpendicular to the surface. Besides, the perpendicular boundaries are more effective run-off regions for vacancies, since there is a slower build-up of the region with vacancies due to displacement of the vacancies to the surface

The influence of grain boundary structure on diffusional creep

DEFF Research Database (Denmark)

Thorsen, Peter Anker; Bilde-Sørensen, Jørgen

1999-01-01

the deformation caused by deposition of material at (or removal of material from) grain boundaries. The misorientation across the grain boundaries, and hence the character of the boundaries, was measured with the use of electron back-scattering patterns. The deformation behavior of the individual boundaries......A Cu-2wt%Ni-alloy was deformed in tension in the diffusional creep regime (Nabarro-Herring creep). A periodic grid consisting of alumina was deposited on the surface of the creep specimen prior to creep. This makes it possible to separate the deformation caused by grain boundary sliding from...

Additive recovery of lateral boundaries of grains under electronic exposure

International Nuclear Information System (INIS)

Postnikov, D.V.; Plotnikov, S.V.

2002-01-01

The experimental investigation of additive re-distribution under electronic beam revealed a recovery of the additive at grain boundaries. Additive accumulation mainly takes place at the boundaries that are perpendicular to material surface, whereas there is no an observed recovery of additive at the boundaries that are parallel to the surface. The additive recovery is caused by spot fault gradients near the grain boundary. The grain boundary is an intensive run-off region of vacancies. Therefore, the average vacancy distribution profile near the grain boundary changes its pattern. The above case indicates that there are two additive fluxes. One of them is vectored perpendicular to the surface, and the other one is parallel to it, i. e. it is vectored to the grain boundary. A study of the perpendicular and parallel boundaries shows that there is no additive settling at the boundaries that are parallel to the surface, since the general flux is vectored to the parallel boundaries. There is no such kind of phenomenon at the grain boundaries that are perpendicular to the surface. Besides, the perpendicular boundaries are more effective run-off regions for vacancies, since there is a slower build-up of the region with vacancies due to displacement of the vacancies to the surface. To compute concentration of vacancies we will consider a grain of the surface as a model. The computations indicate the presence of vacancy gradients vectored to the surface and grain boundaries, which are perpendicular to the surface. Comparison of the experimental and theoretical outcomes shows a good agreement between the theoretical model and actual processes occurring under the exposure. This theory disclose wide potentials for application of diffusion processes in alloys

Grain boundaries of nanocrystalline materials - their widths, compositions, and internal structures

International Nuclear Information System (INIS)

Fultz, B.; Frase, H.N.

2000-01-01

Nanocrystalline materials contain many atoms at and near grain boundaries. Sufficient numbers of Moessbauer probe atoms can be situated in grain boundary environments to make a clear contribution to the measured Moessbauer spectrum. Three types of measurements on nanocrystalline materials are reported here, all using Moessbauer spectrometry in conjunction with X-ray diffractometry, transmission electron microscopy, or small angle neutron scattering. By measuring the fraction of atoms contributing to the grain boundary component in a Moessbauer spectrum, and by knowing the grain size of the material, it is possible to deduce the average width of grain boundaries in metallic alloys. It is found that these widths are approximately 0.5 nm for fcc alloys and slightly larger than 1.0 nm for bcc alloys.Chemical segregation to grain boundaries can be measured by Moessbauer spectrometry, especially in conjunction with small angle neutron scattering. Such measurements on Fe-Cu and Fe 3 Si-Nb were used to study how nanocrystalline materials could be stabilized against grain growth by the segregation of Cu and Nb to grain boundaries. The segregation of Cu to grain boundaries did not stabilize the Fe-Cu alloys against grain growth, since the grain boundaries were found to widen and accept more Cu atoms during annealing. The Nb additions to Fe 3 Si did suppress grain growth, perhaps because of the low mobility of Nb atoms, but also perhaps because Nb atoms altered the chemical ordering in the alloy.The internal structure of grain boundaries in nanocrystalline materials prepared by high-energy ball milling is found to be unstable against internal relaxations at low temperatures. The Moessbauer spectra of the nanocrystalline samples showed changes in the hyperfine fields attributable to movements of grain boundary atoms. In conjunction with SANS measurements, the changes in grain boundary structure induced by cryogenic exposure and annealing at low temperature were found to be

Migration mechanisms of a faceted grain boundary

Science.gov (United States)

Hadian, R.; Grabowski, B.; Finnis, M. W.; Neugebauer, J.

2018-04-01

We report molecular dynamics simulations and their analysis for a mixed tilt and twist grain boundary vicinal to the Σ 7 symmetric tilt boundary of the type {1 2 3 } in aluminum. When minimized in energy at 0 K , a grain boundary of this type exhibits nanofacets that contain kinks. We observe that at higher temperatures of migration simulations, given extended annealing times, it is energetically favorable for these nanofacets to coalesce into a large terrace-facet structure. Therefore, we initiate the simulations from such a structure and study as a function of applied driving force and temperature how the boundary migrates. We find the migration of a faceted boundary can be described in terms of the flow of steps. The migration is dominated at lower driving force by the collective motion of the steps incorporated in the facet, and at higher driving forces by the step detachment from the terrace-facet junction and propagation of steps across the terraces. The velocity of steps on terraces is faster than their velocity when incorporated in the facet, and very much faster than the velocity of the facet profile itself, which is almost stationary. A simple kinetic Monte Carlo model matches the broad kinematic features revealed by the molecular dynamics. Since the mechanisms seem likely to be very general on kinked grain-boundary planes, the step-flow description is a promising approach to more quantitative modeling of general grain boundaries.

High temperature dislocation processes in precipitation hardened crystals investigated by a 3D discrete dislocation dynamics

Czech Academy of Sciences Publication Activity Database

Záležák, Tomáš; Svoboda, Jiří; Dlouhý, Antonín

2017-01-01

Roč. 97, OCT (2017), s. 1-23 ISSN 0749-6419 R&D Projects: GA ČR(CZ) GA14-22834S; GA ČR(CZ) GA202/09/2073; GA ČR(CZ) GD106/09/H035; GA MŠk(CZ) EE2.3.20.0214; GA MŠk OC 162 EU Projects: European Commission(XE) 309916 - Z-ULTRA Institutional support: RVO:68081723 Keywords : 3D discrete dislocation dynamics * Dislocations * Strengthening mechanisms * Low angle grain boundaries * Particulate reinforced material Subject RIV: JI - Composite Materials OBOR OECD: Composites (including laminates, reinforced plastics, cermets, combined natural and synthetic fibre fabrics Impact factor: 5.702, year: 2016

Grain boundary sinks in neutron-irradiated Zr and Zr-alloys

International Nuclear Information System (INIS)

Griffiths, M.; Gilbert, R.W.; Coleman, C.E.

1988-01-01

Samples of annealed sponge and crystal-bar Zr and Zircaloy-2 have been examined following irradiation in EBR-II at temperatures ≅ 700 K. Loop analysis shows that there is selective denuding of interstitial loops near to some grain boundaries indicating that such boundaries are net sinks for interstitial point defects. Furthermore, in sponge Zr and Zircaloy-2, vacancy c-component loops are observed running into the grain boundaries showing that the grain boundaries are not preferred sinks for vacancies. Cavities are observed in all samples. In crystal-bar Zr and sponge Zr they are mostly observed adjacent to grain boundaries. They are also sometimes found within grains associated with precipitates. The cavities are more common in the crystal-bar Zr and this is probably because both the sponge Zr and Zircaloy-2 contain vacancy c-component loops which compete for vacancies (assuming that the cavities are vacancy sinks). Only some of the grain boundaries have cavities adjacent to them and this may be related to the orientation of the boundary. (orig.)

Segregation to grain boundaries in nimonic PE16 superalloy

International Nuclear Information System (INIS)

Nettleship, D.J.; Wild, R.K.

1990-01-01

Nimonic PE16 alloy is a nickel-based superalloy containing 34 wt.% iron and 16wt.% chromium with additions of molybdenum, titanium and aluminium. It is used in the fuel assembly of the UK advanced gas-cooled reactors (AGR). This component supports significant loads in service and its mechanical integrity is therefore of paramount importance. Mechanical properties may be influenced by the grain size and grain boundary composition, both of which can themselves alter during service. Scanning Auger microscopy is a well-established method for investigating grain boundaries, and has now been applied to the study of PE16. In order to expose PE16 grain boundary surfaces it is necessary to hydrogen charge samples and fracture by pulling in tension at a slow strain rate within the ultra-high vacuum chamber of the Auger microprobe. A series of casts of nimonic PE16 alloy that have received a range of thermal ageing treatments have been fractured in an intergranular manner and the grain boundary composition determined. Segregation of trace and minority elements, particularly Mo and P, has been detected at grain boundaries. Significant variations between different as-manufactured casts were observed, whilst ageing brought about the growth of chromium-rich particles on the grain boundaries. Ductile fracture in PE16 followed a path through Ti(C, N) particles. Many of these particles incorporated large amounts of sulphur. (author)

Dislocation Processes and Frictional Stability of Faults

Science.gov (United States)

Toy, V. G.; Mitchell, T. M.; Druiventak, A.

2011-12-01

The rate dependence of frictional processes in faults in quartzofeldspathic crust is proposed to change at c. 300°C, because above this temperature asperity deformation can be accommodated by crystal plastic processes. As a consequence, the real fault contact area increases and the fault velocity strengthens. Conversely, faults at lower temperatures are velocity weakening and therefore prone to earthquake slip. We have investigated whether dislocation processes are important around faults in quartzites on seismic timescales, by inducing fault slip on a saw cut surface in novaculite blocks. Deformation was carried out at 450°C and 600°C in a Griggs apparatus. Slip rates of 8.3 x 10-7s-1 allowed total slip, u, of 0.5mm to be achieved in c. 10 minutes. Failure occurred at peak differential stresses of ~1.7 GPa and 1.4 GPa respectively, followed by significant weakening. Structures of the novaculite within and surrounding the fault surface were examined using EBSD, FIB-SEM and TEM to elucidate changes to their dislocation substructure. In the sample deformed at 450°C, a ~50μm thick layer of amorphous / non-crystalline silica was developed on the saw-cut surface during deformation. Rare clasts of the wall rock are preserved within this material. The surrounding sample is mostly composed of equant quartz grains of 5-10μm diameter that lack a preferred orientation, contain very few intercrystalline dislocations, and are divided by organised high angle grain boundaries. After deformation, most quartz grains within the sample retain their starting microstructure. However, within ~10μm of the sliding surface, dislocations are more common, and these are arranged into elongated, tangled zones (subgrain boundaries?). Microfractures are also observed. These microstructures are characteristic of deformation accommodated by low temperature plasticity. Our preliminary observations suggest that dislocation processes may be able to accommodate some deformation around fault

Study of rapid grain boundary migration in a nanocrystalline Ni thin film

International Nuclear Information System (INIS)

Kacher, Josh; Robertson, I.M.; Nowell, Matt; Knapp, J.; Hattar, Khalid

2011-01-01

Research highlights: → Abnormal growth is distributed randomly in the foil and initiates at different times. → Growth occurs from seemingly uncorrelated regions of the grain boundary. → Growth twins are created during all stages of abnormal grain growth. → Grain growth patterns are qualitatively similar to a vacancy diffusion model. → Grain boundaries and orientations evolve during growth to minimize system energy. - Abstract: Grain boundary migration associated with abnormal grain growth in pulsed-laser deposited Ni was studied in real time by annealing electron transparent films in situ in the transmission electron microscope. The resulting texture evolution and grain boundary types produced were evaluated by ex situ electron backscatter diffraction of interrupted anneals. The combination of these two techniques allowed for the investigation of grain growth rates, grain morphologies, and the evolution of the orientation and grain boundary distributions. Grain boundaries were found to progress in a sporadic, start/stop fashion with no evidence of a characteristic grain growth rate. The orientations of the abnormally growing grains were found to be predominately //ND throughout the annealing process. A high fraction of twin boundaries developed during the annealing process. The intermittent growth from different locations of the grain boundary is discussed in terms of a vacancy diffusion model for grain growth.

A constitutive model of nanocrystalline metals based on competing grain boundary and grain interior deformation mechanisms

KAUST Repository

Gurses, Ercan; El Sayed, Tamer S.

2011-01-01

In this work, a viscoplastic constitutive model for nanocrystalline metals is presented. The model is based on competing grain boundary and grain interior deformation mechanisms. In particular, inelastic deformations caused by grain boundary

Grain-size distributions and grain boundaries of chalcopyrite-type thin films

International Nuclear Information System (INIS)

Abou-Ras, D.; Schorr, S.; Schock, H.W.

2007-01-01

CuInSe 2 , CuGaSe 2 , Cu(In,Ga)Se 2 and CuInS 2 thin-film solar absorbers in completed solar cells were studied in cross section by means of electronbackscatter diffraction. From the data acquired, grain-size distributions were extracted, and also the most frequent grain boundaries were determined. The grain-size distributions of all chalcopyrite-type thin films studied can be described well by lognormal distribution functions. The most frequent grainboundary types in these thin films are 60 - left angle 221 right angle tet and 71 - left angle 110 right angle tet (near) Σ3 twin boundaries. These results can be related directly to the importance of {112} tet planes during the topotactical growth of chalcopyrite-type thin films. Based on energetic considerations, it is assumed that the most frequent twin boundaries exhibit a 180 - left angle 221 right angle tet constellation. (orig.)

Effect of crystal orientation on grain boundary migration and radiation-induced segregation

International Nuclear Information System (INIS)

Hashimoto, N.; Eda, Y.; Takahashi, H.

1996-01-01

Fe-Cr-Ni, Ni-Al and Ni-Si alloys were electron-irradiated using a high voltage electron microscope (1 MeV), and in situ observations of the structural evolution and micro-chemical analysis were carried out. During the irradiation, the grain boundaries in the irradiated region migrated, while no grain boundary migration occurred in the unirradiated area. The occurrence of boundary migration depended on the orientation relationship of the boundary interfaces. Grain boundary migration took place in Fe-Cr-Ni and Ni-Si alloys with large crystal orientation difference between the two grains across a grain boundary. In Ni-Al, however, the grain boundary migration did not occur. The solute segregation was caused at grain boundary under irradiation and this segregation behavior was closely related to solute size, namely the concentrations of undersized Ni and oversized Cr elements in Fe-Cr-Ni alloy increased and reduced at grain boundary, respectively. The same dependence of segregation on the solute size was derived in Ni-Si and Ni-Al alloys, in which Si and Al solutes are undersized and oversized elements, respectively. Therefore, Si solute enriched and Al solute depleted at grain boundary. From the present segregation behavior, it is suggested that the flow of point defects into the boundary is the cause of grain boundary migration. (orig.)

Segregation of solute elements at grain boundaries in an ultrafine grained Al-Zn-Mg-Cu alloy

International Nuclear Information System (INIS)

Sha, Gang; Yao, Lan; Liao, Xiaozhou; Ringer, Simon P.; Chao Duan, Zhi; Langdon, Terence G.

2011-01-01

The solute segregation at grain boundaries (GBs) of an ultrafine grained (UFG) Al-Zn-Mg-Cu alloy processed by equal-channel angular pressing (ECAP) at 200 o C was characterised using three-dimensional atom probe. Mg and Cu segregate strongly to the grain boundaries. In contrast, Zn does not always show clear segregation and may even show depletion near the grain boundaries. Trace element Si selectively segregates at some GBs. An increase in the number of ECAP passes leads to a decrease in the grain size but an increase in solute segregation at the boundaries. The significant segregation of alloying elements at the boundaries of ultrafine-grained alloys implies that less solutes will be available in the matrix for precipitation with a decrease in the average grain size. -- Research Highlights: → Atom probe tomography has been employed successfully to reveal unique segregation of solutes at ultrafine grained material. → Mg and Cu elements segregated strongly at the grain boundary of an ultrafine grained Al-Zn-Mg-Cu alloy processed by 4-pass and 8-pass ECAP at 200 o C. Zn frequently depleted at GBs with a Zn depletion region of 7-15 nm in width on one or both sides of the GBs. Only a small fraction (3/13) of GBs were observed with a low level of Zn segregation where the combined Mg and Cu excess is over 3.1 atom/nm 2 . Si appeared selectively segregated at some of the GBs. → The increase in number of ECAP passes from 4 to 8 correlated with the increase in mean level segregation of Mg and Cu for both solute excess and peak concentration. → The change of plane normal of a grain boundary within 30 o only leads to a slight change in the solute segregation level.

Grain-boundary, glassy-phase identification and possible artifacts

International Nuclear Information System (INIS)

Simpson, Y.K.; Carter, C.B.; Sklad, P.; Bentley, J.

1985-01-01

Specimen artifacts such as grain boundary grooving, surface damage of the specimen, and Si contamination are shown experimentally to arise from the ion milling used in the preparation of transmission electron microscopy specimens. These artifacts in polycrystalline, ceramic specimens can cause clean grain boundaries to appear to contain a glassy phase when the dark-field diffuse scattering technique, the Fresnel fringe technique, and analytical electron microscopy (energy dispersive spectroscopy) are used to identify glassy phases at a grain boundary. The ambiguity in interpreting each of these techniques due to the ion milling artifacts will be discussed from a theoretical view point and compared to experimental results obtained for alumina

Effect of grain boundary complexions on the deformation behavior of Ni bicrystal during bending creep.

Science.gov (United States)

Reddy, K Vijay; Pal, Snehanshu

2018-03-07

The dependence of creep deformation behavior of nickel bicrystal specimens on grain boundary (GB) complexion was investigated by performing a simulated bending creep test using molecular dynamics methods. Strain burst phenomena were observed during the low temperature [500 K, i.e., creep process. Atomic strain and dislocation analyses showed that the time of occurrence of strain burst depends on how easily GB migration happens in bicrystal specimens. Specimens with kite monolayer segregation GB complexion were found to be stable at low temperature (500 K), whereas specimens with split-kite GB complexion were stable at a comparatively higher temperature (900 K). In case of further elevated creep temperatures, e.g., 1100 K and 1300 K, split-kite GB complexion becomes unstable and leads to early failure of the specimen at those temperatures. Additionally, it was observed that split-kite bilayer segregation and normal kite GB complexions exhibit localized increases in elastic modulus during bending creep process, occurring at temperatures of 1100 K and 1300 K, respectively, due to the formation of interpenetrating icosahedral clusters. Graphical abstract Representative creep curves during bending creep deformation of various grain boundary complexions at 900 K.

Microtwins and their effect on accumulation of excess dislocation density in grains with different types of crystal lattice bending in deformed austenitic steel

Energy Technology Data Exchange (ETDEWEB)

Gibert, Ivan, E-mail: gibert1993@mail.ru [National Research Tomsk Polytechnic University, 30, Lenin Ave., 634050, Tomsk (Russian Federation); Kiseleva, Svetlana, E-mail: kisielieva1946@mail.ru; Popova, Natalya, E-mail: natalya-popova-44@mail.ru; Koneva, Nina, E-mail: koneva@tsuab.ru; Kozlov, Eduard, E-mail: kozlov@tsuab.ru [Tomsk State University of Architecture and Building, 2, Solyanaya Sq., 634003, Tomsk (Russian Federation)

2016-01-15

The investigation of excess dislocation density accumulation in the deformed polycrystalline austenitic steel was carried out using transmission electron microscopy (TEM). The distributions of the excess dislocation density in the grains of the deformed austenitic steel with different bending types were obtained and plotted. It was established that in the austenitic polycrystalline steel at the deformation degrees ε = 14 and 25 % the distributions of the excess dislocation density are multimodal. In both cases the grain with compound bending is more stressed. The values of the average excess dislocation density in the grains with the compound and simple bending are less at ε = 25 % than that at ε = 14 %. This is explained by a significant relaxation of the internal stresses in steel with the increase of the deformation degree from 14 % to 25 %. The increase of the number of twinning systems and the material volume fraction covered by twinning leads to the internal stress relaxation and consequently to the increase of the excess dislocation density. The presence of microtwins in the deformed material has an influence on the distribution of the excess dislocation density. In the deformed polycrystalline austenitic steel the number of grains with compound bending is increased with the increase of the plastic deformation degree.

Concepts on Low Temperature Mechanical Grain Growth

Energy Technology Data Exchange (ETDEWEB)

Sharon, John Anthony [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Metallurgy and Materials Joining Dept.; Boyce, Brad Lee [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Metallurgy and Materials Joining Dept.

2013-11-01

In metals, as grain size is reduced below 100nm, conventional dislocation plasticity is suppressed resulting in improvements in strength, hardness, and wears resistance. Existing and emerging components use fine grained metals for these beneficial attributes. However, these benefits can be lost in service if the grains undergo growth during the component’s lifespan. While grain growth is traditionally viewed as a purely thermal process that requires elevated temperature exposure, recent evidence shows that some metals, especially those with nanocrystalline grain structure, can undergo grain growth even at room temperature or below due to mechanical loading. This report has been assembled to survey the key concepts regarding how mechanical loads can drive grain coarsening at room temperature and below. Topics outlined include the atomic level mechanisms that facilitate grain growth, grain boundary mobility, and the impact of boundary structure, loading scheme, and temperature.

The Pinning by Particles of Low and High Angle Grain Boundaries during Grain Growth

DEFF Research Database (Denmark)

Tweed, C.J.; Ralph, B.; Hansen, Niels

1984-01-01

A study has been made using transmission electron microscopy of the pinning of grain boundaries in aluminium during grain growth by fine dispersions of alumina particles. The boundary parameters have been determined with precision and the pinning effects measured using an approach due to Ashby...

Science at the interface : grain boundaries in nanocrystalline metals.

Energy Technology Data Exchange (ETDEWEB)

Rodriguez, Mark Andrew; Follstaedt, David Martin; Knapp, James Arthur; Brewer, Luke N.; Holm, Elizabeth Ann; Foiles, Stephen Martin; Hattar, Khalid M.; Clark, Blythe B.; Olmsted, David L.; Medlin, Douglas L.

2009-09-01

Interfaces are a critical determinant of the full range of materials properties, especially at the nanoscale. Computational and experimental methods developed a comprehensive understanding of nanograin evolution based on a fundamental understanding of internal interfaces in nanocrystalline nickel. It has recently been shown that nanocrystals with a bi-modal grain-size distribution possess a unique combination of high-strength, ductility and wear-resistance. We performed a combined experimental and theoretical investigation of the structure and motion of internal interfaces in nanograined metal and the resulting grain evolution. The properties of grain boundaries are computed for an unprecedented range of boundaries. The presence of roughening transitions in grain boundaries is explored and related to dramatic changes in boundary mobility. Experimental observations show that abnormal grain growth in nanograined materials is unlike conventional scale material in both the level of defects and the formation of unfavored phases. Molecular dynamics simulations address the origins of some of these phenomena.

Molecular dynamics study on microstructure of near grain boundary distortion region in small grain size nano- NiAl alloy

International Nuclear Information System (INIS)

Wang, J.Y.; Wang, X.W.; Rifkin, J.; Li, D.X.

2001-12-01

Using the molecular dynamics simulation method, the microstructure of distortion region near curved amorphous-like grain boundary in nano-NiAl alloy is studied. The results showed that due to the internal elastic force of high energy grain boundary, distortion layer exists between grain and grain boundary. The lattice expansion and structure factor decreasing are observed in this region. Stacking fault in sample with grain size 3.8nm is clearly observed across the distortion region at the site very close to grain. The influences of different grain sizes on average distortion degree and volume fractions of distortion region, grain and grain boundary are also discussed. (author)

Strain Amount Dependent Grain Size and Orientation Developments during Hot Compression of a Polycrystalline Nickel Based Superalloy

Directory of Open Access Journals (Sweden)

Guoai He

2017-02-01

Full Text Available Controlling grain size in polycrystalline nickel base superalloy is vital for obtaining required mechanical properties. Typically, a uniform and fine grain size is required throughout forging process to realize the superplastic deformation. Strain amount occupied a dominant position in manipulating the dynamic recrystallization (DRX process and regulating the grain size of the alloy during hot forging. In this article, the high-throughput double cone specimen was introduced to yield wide-range strain in a single sample. Continuous variations of effective strain ranging from 0.23 to 1.65 across the whole sample were achieved after reaching a height reduction of 70%. Grain size is measured to be decreased from the edge to the center of specimen with increase of effective strain. Small misorientation tended to generate near the grain boundaries, which was manifested as piled-up dislocation in micromechanics. After the dislocation density reached a critical value, DRX progress would be initiated at higher deformation region, leading to the refinement of grain size. During this process, the transformations from low angle grain boundaries (LAGBs to high angle grain boundaries (HAGBs and from subgrains to DRX grains are found to occur. After the accomplishment of DRX progress, the neonatal grains are presented as having similar orientation inside the grain boundary.

Grain boundary and grain interior conduction in {gamma}'-Bi{sub 2}MoO{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Vera, C.M.C. [Laboratorio de Peliculas Delgadas, Facultad de Ingenieria, Universidad de Buenos Aires, Paseo Colon 850, 1063 Buenos Aires (Argentina)]. E-mail: cvera@fi.uba.ar; Aragon, R. [Laboratorio de Peliculas Delgadas, Facultad de Ingenieria, Universidad de Buenos Aires, Paseo Colon 850, 1063 Buenos Aires (Argentina); CINSO, CONICET, CITEFA, Lasalle 4397, Villa Martelli, Buenos Aires (Argentina)

2005-07-25

Impedance spectroscopy of fine grained (<10 {mu}m) {gamma}'-Bi{sub 2}MoO{sub 6} samples, in the frequency range of 0.1 Hz-250 kHz, relevant to sensor applications, up to 800 deg. C, has been used to characterize grain boundary and grain interior contributions to conduction. Above 500 deg. C, the grain boundary contribution is no longer rate limiting and conduction is dominated by the grain interior component. The corresponding activation energies are 0.98 eV for grain boundary and 0.73 eV for grain interior components. The weak dependence of conductivity on oxygen partial pressure below 500 deg. C can be attributed to electrode-electrolyte interface phenomena, whereas the robust response to ethanol is commensurate with changes in intrinsic ionic conductivity.

Critical current of the nonuniform Josephson transition at intergranular boundary with random dislocation distribution

International Nuclear Information System (INIS)

Mejlikhov, E.Z.; Farzetdinova, R.M.

1997-01-01

Critical current of inhomogeneous intergranular Josephson transition is calculated in the assumption concerning superconductivity suppression by local strains of boundary dislocations with random distribution

Observing grain boundaries in CVD-grown monolayer transition metal dichalcogenides

KAUST Repository

Ly, Thuchue

2014-11-25

Two-dimensional monolayer transition metal dichalcogenides (TMdCs), driven by graphene science, revisit optical and electronic properties, which are markedly different from bulk characteristics. These properties are easily modified due to accessibility of all the atoms viable to ambient gases, and therefore, there is no guarantee that impurities and defects such as vacancies, grain boundaries, and wrinkles behave as those of ideal bulk. On the other hand, this could be advantageous in engineering such defects. Here, we report a method of observing grain boundary distribution of monolayer TMdCs by a selective oxidation. This was implemented by exposing directly the TMdC layer grown on sapphire without transfer to ultraviolet light irradiation under moisture-rich conditions. The generated oxygen and hydroxyl radicals selectively functionalized defective grain boundaries in TMdCs to provoke morphological changes at the boundary, where the grain boundary distribution was observed by atomic force microscopy and scanning electron microscopy. This paves the way toward the investigation of transport properties engineered by defects and grain boundaries. (Figure Presented).

Transitional grain boundary structures and the influence on thermal, mechanical and energy properties from molecular dynamics simulations

International Nuclear Information System (INIS)

Burbery, N.J.; Das, R.; Ferguson, W.G.

2016-01-01

The thermo-kinetic characteristics that dictate the activation of atomistic crystal defects significantly influence the mechanical properties of crystalline materials. Grain boundaries (GBs) primarily influence the plastic deformation of FCC metals through their interaction with mobile dislocation defects. The activation thresholds and atomic mechanisms that dictate the thermo-kinetic properties of grain boundaries have been difficult to study due to complex and highly variable GB structure. This paper presents a new approach for modelling GBs which is based on a systematic structural analysis of metastable and stable GBs. GB structural transformation accommodates defect interactions at the interface. The activation energy for such structural transformations was evaluated with nudged elastic band analysis of bi-crystals with several metastable 0 K grain boundary structures in pure FCC Aluminium (Al). The resultant activation energy was used to evaluate the thermal stability of the metastable grain boundary structures, with predictions of transition time based on transition state theory. The predictions are in very good agreement with the minimum time for irreversible structure transformation at 300 K obtained with molecular dynamics simulations. Analytical methods were used to evaluate the activation volume, which in turn was used to predict and explain the influence of stress and strain rate on the thermal and mechanical properties. Results of molecular dynamics simulations show that the GB structure is more closely related to the elastic strength at 0 K than the GB energy. Furthermore, the thermal instability of the GB structure directly influences the relationship between bi-crystal strength, temperature and strain rate. Hence, theoretically consistent models are established on the basis of activation criteria, and used to make predictions of temperature-dependent yield stress at a low strain rate, in agreement with experimental results.

UO2 Grain Growth: Developing Phase Field Models for Pore Dragging, Solute Dragging and Anisotropic Grain Boundary Energies

International Nuclear Information System (INIS)

Ahmed, K.; Tonks, M.; Zhang, Y.; Biner, B.

2016-01-01

A detailed phase field model for the effect of pore drag on grain growth kinetics was implemented in MARMOT. The model takes into consideration both the curvature-driven grain boundary motion and pore migration by surface diffusion. As such, the model accounts for the interaction between pore and grain boundary kinetics, which tends to retard the grain growth process. Our 2D and 3D simulations demonstrate that the model capture all possible pore-grain boundary interactions proposed in theoretical models. For high enough surface mobility, the pores move along with the migrating boundary as a quasi-rigid-body, albeit hindering its migration rate compared to the pore-free case. For less mobile pores, the migrating boundary can separate from the pores. For the pore-controlled grain growth kinetics, the model predicts a strong dependence of the growth rate on the number of pores, pore size, and surface diffusivity in agreement with theroretical models. An evolution equation for the grain size that includes these parameters was derived and showed to agree well with numerical solution. It shows a smooth transition from boundary-controlled kinetics to pore-controlled kinetics as the surface diffusivity decreases or the number of pores or their size increases. This equation can be utilized in BISON to give accurate estimate for the grain size evolution. This will be accomplished in the near future. The effect of solute drag and anisotropy of grain boundary on grain growth will be investigated in future studies.

Studies about diffusion through grain boundary

International Nuclear Information System (INIS)

Allevato, C.E.

1983-01-01

Samples with layers of gold-silver and silver-chromium were deposited in high vacuum (10 -5 -10 -6 Torr) on glass and sodium chloride substrates. After deposition, these films were annealed at different temperatures and analysed by Rutherford Backscattering, Auger Spesctroscopy and Transmission Electron Microscopy. A simulated convolution was done using a computer in order to evalute the precision of the particle detector employed in the backscattering. The concentration profiles used to determine the diffusion coefficient were obtained by Auger electron spectroscopy. This technique demanded a study of sputtering rate to convert time of sputtering in thickness. This rate was determined by two methods. Analyses of the samples of silver-chromium, heated up to 250 0 C, by transmission electron microscopy and Auger electron spectroscopy, indicated the presence of oxide in small isolated regions, as crystallites. Values of the diffusion coefficient and activation energy related to the diffusion through the volume and by the grain boundary were determined by Suzuoka's method. The system Ag/Cr, due to its high grain boundary density, led to an increase of the diffusion coefficient so that this coefficient and the activation energy were obtained only from the grain boundary. (Author) [pt

Dislocation-induced stress in polycrystalline materials: mesoscopic simulations in the dislocation density formalism

Science.gov (United States)

Berkov, D. V.; Gorn, N. L.

2018-06-01

In this paper we present a simple and effective numerical method which allows a fast Fourier transformation-based evaluation of stress generated by dislocations with arbitrary directions and Burgers vectors if the (site-dependent) dislocation density is known. Our method allows the evaluation of the dislocation stress using a rectangular grid with shape-anisotropic discretization cells without employing higher multipole moments of the dislocation interaction coefficients. Using the proposed method, we first simulate the stress created by relatively simple non-homogeneous distributions of vertical edge and so-called ‘mixed’ dislocations in a disk-shaped sample, which is necessary to understand the dislocation behavior in more complicated systems. The main part of our research is devoted to the stress distribution in polycrystalline layers with the dislocation density rapidly varying with the distance to the layer bottom. Considering GaN as a typical example of such systems, we investigate dislocation-induced stress for edge and mixed dislocations, having random orientations of Burgers vectors among crystal grains. We show that the rapid decay of the dislocation density leads to many highly non-trivial features of the stress distributions in such layers and study in detail the dependence of these features on the average grain size. Finally we develop an analytical approach which allows us to predict the evolution of the stress variance with the grain size and compare analytical predictions with numerical results.

Cadmium Telluride and Grain Boundaries: A Preliminary Study

Science.gov (United States)

Liao, Michael Evan

The efficacy of the CdCl2 treatment on polycrystalline CdTe-based solar cells was discovered over a quarter of a century ago; and yet, the exact mechanism of this treatment is still not fully understood to this day. In fact, the lack of understanding stems from a debate on the exact role of grain boundaries in CdCl2-treated CdTe solar cells. Some hypothesize that the CdCl2-treatment causes grain boundaries to become beneficial to solar cell performance while others disagree and claim that the treatment simply mitigates the harmful effects of grain boundaries via passivation. A future goal of this project is to determine which, if either, hypothesis is correct by direct wafer bonding single crystalline CdTe. Direct wafer bonding of single crystalline materials would create only one grain boundary at the bonded interface. This approach allows the orientation and surface chemistry of interfaces to be controlled in order to study the chemistry of grain boundaries methodically. However, before any direct wafer bonding can be done, a preliminary study of single crystalline CdTe is necessary. High-quality direct wafer bonding can only be achieved if the surfaces of each wafer satisfy certain requirements. Additionally, analyzing single crystalline CdTe materials prior to bonding is crucial in order to make any insightful connections between results found from direct bonding of single crystalline CdTe and what is observed in polycrystalline CdTe. First, the surface of an (001) CdTe layer epitaxially grown on an (001) InSb substrate is studied using atomic force microscopy. Stacking faults on the CdTe surface are observed and the thickness of the grown CdTe epilayer is calculated by considering the interplanar angles between the (001) and (111) crystallographic planes as well as the dimensions of the stacking faults. While the stacking faults will inhibit successful wafer bonding, the roughness of the regions outside the stacking faults is 0.9 nm, which is an acceptable

Influence of grain boundaries on the fracture toughness of tungsten alloys

International Nuclear Information System (INIS)

Gludovatz, B.; Faleschini, M.; Pippan, R.; Hoffmann, A.

2007-01-01

Full text of publication follows: Tungsten and tungsten alloys are possible candidates for future fusion reactors because of their high melting points, high thermal conductivity and their high erosion resistance. Since these materials have a body-centered cubic (bcc) structure, they show a typical change in fracture behaviour from brittle at low temperatures to ductile at high temperatures. For that reason the fracture behaviour of pure tungsten (W), potassium doped tungsten (AKS) and tungsten with 1 wt% La 2 O 3 (WL10) was studied, taking into account the influence of temperature and fabrication condition. Especially AKS has been studied to investigate the longitudinal splitting of the AKS-wires, the crack propagation direction with the lowest fracture toughness. This alloy subjected to intense deformation leads to a material with an elongated grain structure after recrystallization because of the potassium bubbles. Fracture toughness has been investigated by means of 3-point bending (3PB) specimens, double cantilever beam (DCB) specimens and compact tension (CT) specimens. Tests were performed in the range -196 deg. C to more than 1000 deg. C. Though all these materials show an expected increase in fracture toughness with increasing temperature, influences like texture, chemical composition, grain boundary segregation and dislocation density seem to have an extreme influence on the obtained results. These influences can especially be seen in the fracture behaviour and morphology, where two kinds of fracture can occur: on one hand the trans-crystalline and on the other hand the intercrystalline fracture. Therefore techniques like electron backscatter diffraction, auger electron spectroscopy and X-ray line profile analysis were used to determine the parameter influencing fracture toughness. Also new testing techniques have been devised and successfully applied. Additional tests like an 'in-situ EBSD' technique for investigating the formation of dislocations during

Grain-boundary unzipping by oxidation in polycrystalline graphene

Science.gov (United States)

Alexandre, Simone; Lucio, Aline; Nunes, Ricardo

2011-03-01

The need for large-scale production of graphene will inevitably lead to synthesis of the polycrystalline material [1,2]. Understanding the chemical, mechanical, and electronic properties of grain boundaries in graphene polycrystals will be crucial for the development of graphene-based electronics. Oxidation of this material has been suggested to lead to graphene ribbons, by the oxygen-driven unzipping mechanism. A cooperative-strain mechanism, based on the formation of epoxy groups along lines of parallel bonds in the hexagons of graphene's honeycomb lattice, was proposed to explain the unzipping effect in bulk graphene In this work we employ ab initio calculations to study the oxidation of polycrystalline graphene by chemisorption of oxygen at the grain boundaries. Our results indicate that oxygen tends to segregate at the boundaries, and that the unzipping mechanism is also operative along the grain boundaries, despite the lack of the parallel bonds due to the presence of fivefold and sevenfold carbon rings along the boundary core. We acknowledge support from the Brazilian agencies: CNPq, Fapemig, and INCT-Materiais de Carbono.

Diffusion along and around dislocations; Diffusion le long et autour des dislocations

Energy Technology Data Exchange (ETDEWEB)

Brebec, G [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1965-07-01

We have gathered together in this text some solutions for Fick's equations applicable to diffusion in dislocations. The problems is fairly similar to that of grain boundaries but in this case a further difficulty arises, purely mathematical in fact, due to the supposedly cylindrical shape of the perturbed region around a dislocation. It follows that Fick's equation is used in the form: {partial_derivative}C/{partial_derivative}t=D[{partial_derivative}{sup 2}C/{partial_derivative}r{sup 2}+1/r{partial_derivative}C/{partial_derivative} r + {partial_derivative}{sup 2}C/{partial_derivative}z{sup 2}] in order to express simply the limiting conditions and so that the solution takes into account the symmetry of revolution of the system. This very much complicates the final form of the results. We give here as an illustration a solution obtained using the same hypotheses and making the same approximations as those employed by WHIPPLE for his grain boundary work. Unfortunately the final form is not suitable for a numerical calculation. By making grosser approximations, such a those used by FISHER, it is possible to determine the parameter D/(a{sup 2}D'); the same result as for grain boundary is found i.e that the logarithm of the mean concentration varies linearly with penetration, the slope of this straight line is proportional to {radical}(D/(a{sup 2}D')) Finally we give the exact solution for a platelet of finite thickness assuming that the diffusion in the defect less crystal is negligible and that the surface diffusion is infinitely fast. This is the problem dealt with by HENDRIGKSON and MACHLIN. We arrive at conclusions different to those obtained by these two authors. (author) [French] Nous avons groupe dans ce texte quelques solutions des equations de Fick applicables a la diffusion dans les dislocations. Le probleme est assez analogue a celui des joints de grains mais il s'introduit ici une difficulte supplementaire, d'ailleurs purement mathematique, due au fait de

Cross-sectional measurement of grain boundary segregation using WDS

Energy Technology Data Exchange (ETDEWEB)

Christien, F., E-mail: frederic.christien@emse.fr [Laboratoire Georges Friedel, CNRS, Ecole des Mines de Saint-Etienne, 158 Cours Fauriel, 42023 Saint-Etienne (France); Risch, P. [Institut des Matériaux Jean Rouxel (IMN), CNRS, Université de Nantes, Rue Christian Pauc, 44306 Nantes (France)

2016-11-15

A new method is proposed for the quantification of grain boundary segregation using Wavelength Dispersive Spectroscopy (WDS) in a Scanning Electron Microscope (SEM). Analyses are undertaken on a simple metallographically polished section of material. The method is demonstrated for the model system of sulphur segregation to nickel grain boundaries. Quantification was carried out from sulphur concentration profiles acquired across 11 grain boundaries of a nickel specimen containing 5.4 wt ppm of sulphur in the bulk and equilibrated at 550 °C. The average sulphur grain boundary concentration determined is µ=35.2 ng cm{sup −2}=6.6×10{sup 14} atoms cm{sup −2}≈0.5 monolayer, which is in good agreement with a previous quantification obtained from SIMS (Secondary Ion Mass Spectrometry) on the same material. However this is lower by a factor of two than the quantification obtained using “surface” techniques on fractured specimens of the same material. With the conditions of analysis used in this study, the limit of detection of the method developed is found to be better than 10% of a sulphur monolayer. - Highlights: • Impurity grain boundary segregation can be measured using WDS in a SEM. • The method proposed is quantitative. • The specimen preparation is simple: metallographical section.

Radiation-induced grain boundary segregation in austenitic stainless steels

International Nuclear Information System (INIS)

Bruemmer, S.M.; Charlot, L.A.; Vetrano, J.S.; Simonen, E.P.

1994-11-01

Radiation-induced segregation (RIS) to grain boundaries in Fe-Ni-Cr-Si stainless alloys has been measured as a function of irradiation temperature and dose. Heavy-ion irradiation was used to produce damage levels from 1 to 20 displacements per atom (dpa) at temperatures from 175 to 550 degrees C. Measured Fe, Ni, and Cr segregation increased sharply with irradiation dose (from G to 5 dpa) and temperature (from 175 to about 350 degrees C). However, grain boundary concentrations did not change significantly as dose or temperatures were further increased. Although interfacial compositions were similar, the width of radiation-induced enrichment or depletion profiles increased consistently with increasing dose or temperature. Impurity segregation (Si and P) was also measured, but only Si enrichment appeared to be radiation-induced. Grain boundary Si peaked at levels approaching 10 at% after irradiation doses to 10 dpa at an intermediate temperature of 325 degrees C. No evidence of grain boundary silicide precipitation was detected after irradiation at any temperature. Equilibrium segregation of P was measured in the high-P alloys, but interfacial concentration did not increase with irradiation exposure. Comparisons to reported RIS in neutron-irradiated stainless steels revealed similar grain boundary compositional changes for both major alloying and impurity elements

Effect of texture and grain size on the residual stress of nanocrystalline thin films

Science.gov (United States)

Cao, Lei; Sengupta, Arkaprabha; Pantuso, Daniel; Koslowski, Marisol

2017-10-01

Residual stresses develop in thin film interconnects mainly as a result of deposition conditions and multiple thermal loading cycles during the manufacturing flow. Understanding the relation between the distribution of residual stress and the interconnect microstructure is of key importance to manage the nucleation and growth of defects that can lead to failure under reliability testing and use conditions. Dislocation dynamics simulations are performed in nanocrystalline copper subjected to cyclic loading to quantify the distribution of residual stresses as a function of grain misorientation and grain size distribution. The outcomes of this work help to evaluate the effect of microstructure in thin films failure by identifying potential voiding sites. Furthermore, the simulations show how dislocation structures are influenced by texture and grain size distribution that affect the residual stress. For example, when dislocation loops reach the opposite grain boundary during loading, these dislocations remain locked during unloading.

Study of grain boundary tunneling in barium-titanate ceramic films

CERN Document Server

Wong, H; Poon, M C

1999-01-01

The temperature and the electric-field dependences of the current-voltage characteristics and the low-frequency noise of barium-titanate ceramic films are studied. An abnormal field dependence is observed in the resistivity of BaTiO sub 3 materials with a small average grain size. In addition, experiments show that the low-frequency noise behaviors are governed by grain-boundary tunneling at room temperature and by trapping-detrapping of grain-boundary states at temperatures above the Curie point. Physical models for the new observations are developed. Results suggest that grain-boundary tunneling of carriers is as important as the double Schottky barrier in the current conduction in BaTiO sub 3 materials with small grain sizes.

Micromechanical Modeling of Grain Boundaries Damage in a Copper Alloy Under Creep

International Nuclear Information System (INIS)

Voese, Markus

2015-01-01

In order to include the processes on the scale of the grain structure into the description of the creep behaviour of polycrystalline materials, the damage development of a single grain boundary has been initially investigated in the present work. For this purpose, a special simulationmethod has been used, whose resolution procedure based on holomorphic functions. The mechanisms taken into account for the simulations include nucleation, growth by grain boundary diffusion, coalescence and shrinkage until complete sintering of grain boundary cavities. These studies have then been used to develop a simplified cavitation model, which describes the grain boundary damage by two state variables and the time-dependent development by a mechanism-oriented rate formulation. To include the influence of grain boundaries within continuum mechanical considerations of polycrystals, an interface model has been developed, that incorporates both damage according to the simplified cavitation model and grain boundary sliding in dependence of a phenomenological grain boundary viscosity. Furthermore a micromechanical model of a polycrystal has been developed that allows to include a material's grain structure into the simulation of the creep behaviour by means of finite element simulations. Thereby, the deformations of individual grains are expressed by a viscoplastic single crystal model and the grain boundaries are described by the proposed interface model. The grain structure is represented by a finite element model, in which the grain boundaries are modelled by cohesive elements. From the evaluation of experimental creep data, the micromechanical model of a polycrystal has been calibrated for a copper-antimony alloy at a temperature of 823 K. Thereby, the adjustment of the single crystal model has been carried out on the basis of creep rates of pure copper single crystal specimens. The experimental determination of grain boundary sliding and grain boundary porosity for coarse-grained

Two-dimensional discrete dislocation models of deformation in polycrystalline thin metal films on substrates

International Nuclear Information System (INIS)

Hartmaier, Alexander; Buehler, Markus J.; Gao, Huajian

2005-01-01

The time-dependent irreversible deformation of polycrystalline thin metal films on substrates is investigated using two-dimensional discrete dislocation dynamics models incorporating essential parameters determined from atomistic studies. The work is focused on the mechanical properties of uncapped films, where diffusive processes play an important role. The simulations incorporate dislocation climb along the grain boundary as well as conservative glide. Despite of severe limitations of the two-dimensional dislocation models, the simulation results are found to largely corroborate experimental findings on different dominant deformation mechanisms at different film thicknesses

Nonlocal elasticity tensors in dislocation and disclination cores

International Nuclear Information System (INIS)

Taupin, V.; Gbemou, K.; Fressengeas, C.; Capolungo, L.

2017-01-01

We introduced nonlocal elastic constitutive laws for crystals containing defects such as dislocations and disclinations. Additionally, the pointwise elastic moduli tensors adequately reflect the elastic response of defect-free regions by relating stresses to strains and couple-stresses to curvatures, elastic cross-moduli tensors relating strains to couple-stresses and curvatures to stresses within convolution integrals are derived from a nonlocal analysis of strains and curvatures in the defects cores. Sufficient conditions are derived for positive-definiteness of the resulting free energy, and stability of elastic solutions is ensured. The elastic stress/couple stress fields associated with prescribed dislocation/disclination density distributions and solving the momentum and moment of momentum balance equations in periodic media are determined by using a Fast Fourier Transform spectral method. Here, the convoluted cross-moduli bring the following results: (i) Nonlocal stresses and couple stresses oppose their local counterparts in the defects core regions, playing the role of restoring forces and possibly ensuring spatio-temporal stability of the simulated defects, (ii) The couple stress fields are strongly affected by nonlocality. Such effects favor the stability of the simulated grain boundaries and allow investigating their elastic interactions with extrinsic defects, (iii) Driving forces inducing grain growth or refinement derive from the self-stress and couple stress fields of grain boundaries in nanocrystalline configurations.

Improvement of creep-rupture properties by serrated grain boundaries in high-tungsten cobalt-base superalloys

International Nuclear Information System (INIS)

Tanaka, Manabu

1993-01-01

The improvement of creep-rupture properties by serrated grain boundaries was investigated using cobalt-base superalloys containing about 14 to 20 wt.% tungsten at 1089 and 1311 K. Serrated grain boundaries improved both the rupture life and the ductility, especially under lower stresses at 1089 K. The increase in rupture life was larger in the alloys containing a larger amount of W. Ductile grain boundary fracture surfaces, which involved dimple patterns and grain boundary ledges, were observed in the specimens with serrated grain boundaries whereas brittle grain boundary facets were observed in the specimens with normal straight grain boundaries ruptured at 1089 K. The strengthening by serrated grain boundaries was also effective at 1311 K, but there was little difference in rupture life between the specimens with serrated grain boundaries and those with straight grain boundaries under lower stresses, since serrated grain boundaries developed also in the specimens with straight grain boundaries according to grain boundary precipitates forming during creep at 1311 K. The increase in W content of the alloys led to the increase in rupture life of the specimens with serrated grain boundaries at 1089 and 1311 K. (orig.) [de

Grain-boundary melting: A Monte Carlo study

DEFF Research Database (Denmark)

Besold, Gerhard; Mouritsen, Ole G.

1994-01-01

Grain-boundary melting in a lattice-gas model of a bicrystal is studied by Monte Carlo simulation using the grand canonical ensemble. Well below the bulk melting temperature T(m), a disordered liquidlike layer gradually emerges at the grain boundary. Complete interfacial wetting can be observed...... when the temperature approaches T(m) from below. Monte Carlo data over an extended temperature range indicate a logarithmic divergence w(T) approximately - ln(T(m)-T) of the width of the disordered layer w, in agreement with mean-field theory....

Study of Ferrite During Refinement of Prior Austenite Grains in Microalloyed Steel Continuous Casting

Science.gov (United States)

Liu, Jiang; Wen, Guanghua; Tang, Ping

2017-12-01

The formation of coarse prior austenite grain is a key factor to promote transverse crack, and the susceptibility to the transverse crack can be reduced by refining the austenite grain size. In the present study, the high-temperature confocal laser scanning microscope (CLSM) was used to simulate two types of double phase-transformation technologies. The distribution and morphology of ferrites under different cooling conditions were analyzed, and the effects of ferrite distribution and morphology on the double phase-transformation technologies were explored to obtain the suitable double phase-change technology for the continuous casting process. The results indicate that, under the thermal cycle TH0 [the specimens were cooled down to 913 K (640 °C) at a cooling rate of 5.0 K/s (5.0 °C/s)], the width of prior austenite grain boundaries was thick, and the dislocation density at grain boundaries was high. It had strong inhibition effect on crack propagation; under the thermal cycle TH1 [the specimens were cooled down to 1073 K (800 °C) at a cooling rate of 5.0 K/s (5.0 °C/s) and then to 913 K (640 °C) at a cooling rate of 1.0 K/s (1.0 °C/s)], the width of prior austenite grain boundary was thin, and the dislocation density at grain boundaries was low. It was beneficial to crack propagation. After the first phase change, the developed film-like ferrite along the austenite grain boundaries improved the nucleation conditions of new austenitic grains and removed the inhibition effect of the prior austenite grain boundaries on the austenite grain size.

Constitutive modeling of strain rate effects in nanocrystalline and ultrafine grained polycrystals

KAUST Repository

Gurses, Ercan

2011-05-01

We present a variational two-phase constitutive model capable of capturing the enhanced rate sensitivity in nanocrystalline (nc) and ultrafine-grained (ufg) fcc metals. The nc/ufg-material consists of a grain interior phase and a grain boundary affected zone (GBAZ). The behavior of the GBAZ is described by a rate-dependent isotropic porous plasticity model, whereas a rate-independent crystal-plasticity model which accounts for the transition from partial dislocation to full dislocation mediated plasticity is employed for the grain interior. The scale bridging from a single grain to a polycrystal is done by a Taylor-type homogenization. It is shown that the enhanced rate sensitivity caused by the grain size refinement is successfully captured by the proposed model. © 2011 Elsevier Ltd. All rights reserved.

Constitutive modeling of strain rate effects in nanocrystalline and ultrafine grained polycrystals

KAUST Repository

Gurses, Ercan; El Sayed, Tamer S.

2011-01-01

We present a variational two-phase constitutive model capable of capturing the enhanced rate sensitivity in nanocrystalline (nc) and ultrafine-grained (ufg) fcc metals. The nc/ufg-material consists of a grain interior phase and a grain boundary affected zone (GBAZ). The behavior of the GBAZ is described by a rate-dependent isotropic porous plasticity model, whereas a rate-independent crystal-plasticity model which accounts for the transition from partial dislocation to full dislocation mediated plasticity is employed for the grain interior. The scale bridging from a single grain to a polycrystal is done by a Taylor-type homogenization. It is shown that the enhanced rate sensitivity caused by the grain size refinement is successfully captured by the proposed model. © 2011 Elsevier Ltd. All rights reserved.

Grain Boundary Complexions

Science.gov (United States)

2014-05-01

Cantwell et al. / Acta Materialia 62 (2014) 1–48 challenging from a scientific perspective, but it can also be very technologically rewarding , given the...energy) is a competing explanation that remains to be explored. Strategies to drive the grain boundary energy toward zero have produced some success...Thompson AM, Soni KK, Chan HM, Harmer MP, Williams DB, Chabala JM, et al. J Am Ceram Soc 1997;80:373. [172] Behera SK. PhD dissertation, Materials Science

Dislocations and other topological oddities

Science.gov (United States)

Pieranski, Pawel

2016-03-01

We will show that the book Dislocations by Jacques Friedel, published half a century ago, can still be recommended, in agreement with the author's intention, as a textbook ;for research students at University and for students at engineering schools as well as for research engineers;. Indeed, today dislocations are known to occur not only in solid crystals but also in many other systems discovered more recently such as colloidal crystals or liquid crystals having periodic structures. Moreover, the concept of dislocations is an excellent starting point for lectures on topological defects occurring in systems equipped with order parameters resulting from broken symmetries: disclinations in nematic or hexatic liquid crystals, dispirations in chiral smectics or disorientations in lyotropic liquid crystals. The discussion of dislocations in Blue Phases will give us an opportunity to call on mind Sir Charles Frank, friend of Jacques Friedel since his Bristol years, who called these ephemeral mesophases ;topological oddities;. Being made of networks of disclinations, Blue Phases are similar to Twist Grain Boundary (TGB) smectic phases, which are made of networks of screw dislocations and whose existence was predicted by de Gennes in 1972 on the basis of the analogy between smectics and superconductors. We will stress that the book by Jacques Friedel contains seeds of this analogy.

Metallographic screening of grain boundary engineered type 304 austenitic stainless steel

Energy Technology Data Exchange (ETDEWEB)

Hanning, F., E-mail: Fabian.Hanning@googlemail.com; Engelberg, D.L., E-mail: Dirk.engelberg@manchester.ac.uk

2014-08-15

An electrochemical etching method for the identification of grain boundary engineered type 304 austenitic stainless steel microstructures is described. The method can be applied for rapid microstructure screening to complement electron backscatter diffraction analysis. A threshold parameter to identify grain boundary engineered microstructure is proposed, and the application of metallographic etching for characterising the degree of grain boundary engineering discussed. - Highlights: • As-received (annealed) and grain boundary engineered microstructures were compared. • Electro-chemical polarisation in nitric acid solutions was carried out. • A metallographic screening method has been developed. • The screening method complements EBSD analysis for microstructure identification.

Grain boundary engineering of highly deformable ceramics

International Nuclear Information System (INIS)

Mecartney, M.L.

2000-01-01

Highly deformable ceramics can be created with the addition of intergranular silicate phases. These amorphous intergranular phases can assist in superplastic deformation by relieving stress concentrations and minimizing grain growth if the appropriate intergranular compositions are selected. Examples from 3Y-TZP and 8Y-CSZ ceramics are discussed. The grain boundary chemistry is analyzed by high resolution analytical TEM is found to have a strong influence on the cohesion of the grains both at high temperature and at room temperature. Intergranular phases with a high ionic character and containing large ions with a relatively weak bond strength appear to cause premature failure. In contrast, intergranular phases with a high degree of covalent character and similar or smaller ions than the ceramic and a high ionic bond strength are the best for grain boundary adhesion and prevention of both cavitation at high temperatures and intergranular fracture at room temperature

Grain-boundary microchemistry and intergranular cracking of irradiated austenitic stainless steels

International Nuclear Information System (INIS)

Chung, H.M.; Ruther, W.E.; Sanecki, J.E.; Kassner, T.F.

1993-01-01

Constant-extension-rate tensile tests and grain-boundary analysis by Auger electron spectroscopy were conducted on high and commercial-purity (HP and CP) Type 304 stainless steel (SS) specimens from irradiated boiling-water reactor (BWR) components to identify the mechanisms of irradiation-assisted stress corrosion cracking (IASCC). Contrary to previous beliefs, susceptibility to intergranular fracture could not be correlated with radiation-induced segregation of impurities such as Si, P, C, or S, but a correlation was obtained with grain-boundary Cr concentration, indicating a role for Cr depletion. Detailed analysis of grain-boundary chemistry was conducted on BWR neutron absorber tubes that were fabricated from two similar heats of HP Type 304 SS of virtually identical bulk chemical composition but exhibiting a significant difference in susceptibility to IASCC after irradiation to ∼2 x 10 21 n/cm 2 (E > 1 MeV). Grain-boundary concentrations of Cr Ni, Si, P, S, and C of the cracking-resistant and -susceptible HP heats were virtually identical. However, grain boundaries of the cracking-resistant material contained less N and more B and Li than those of the cracking-susceptible material. This observation indicates that, besides the deleterious effect of grain-boundary Cr depletion, a synergism between grain-boundary segregation of N and B and transmutation to H and Li plays an important role in IASCC

Diffusive Fractionation of Lithium Isotopes in Olivine Grain Boundaries

Science.gov (United States)

Homolova, V.; Watson, E. B.

2012-12-01

Diffusive fractionation of isotopes has been documented in silicate melts, aqueous fluids, and single crystals. In polycrystalline rocks, the meeting place of two grains, or grain boundaries, may also be a site of diffusive fractionation of isotopes. We have undertaken an experimental and modeling approach to investigate diffusive fractionation of lithium (Li) isotopes by grain boundary diffusion. The experimental procedure consists of packing a Ni metal capsule with predominantly ground San Carlos olivine and subjecting the capsule to 1100C and 1GPa for two days in a piston cylinder apparatus to create a nominally dry, 'dunite rock'. After this synthesis step, the capsule is sectioned and polished. One of the polished faces of the 'dunite rock' is then juxtaposed to a source material of spodumene and this diffusion couple is subject to the same experimental conditions as the synthesis step. Li abundances and isotopic profiles (ratios of count rates) were analyzed using LA-ICP-MS. Li concentrations linearly decrease away from the source from 550ppm to the average concentration of the starting olivine (2.5ppm). As a function of distance from the source, the 7Li/6Li ratio decreases to a minimum before increasing to the background ratio of the 'dunite rock'. The 7Li/6Li ratio minimum coincides with the lowest Li concentrations above average 'dunite rock' abundances. The initial decrease in the 7Li/6Li ratio is similar to that seen in other studies of diffusive fractionation of isotopes and is thought to be caused by the higher diffusivity (D) of the lighter isotope relative to the heavier isotope. The relationship between D and mass (m) is given by (D1/D2) =(m2/m1)^β, where β is an empirical fractionation factor; 1 and 2 denote the lighter and heavier isotope, respectively. A fit to the Li isotopic data reveals an effective DLi of ~1.2x10^-12 m/s^2 and a β of 0.1. Numerical modelling was utilized to elucidate the relationship between diffusive fractionation

Analysis of grain boundaries, twin boundaries, and Te precipitates in CdZnTe grown by high-pressure Bridgeman method

International Nuclear Information System (INIS)

Heffelfinger, J.R.; Medlin, D.L.; James, R.B.

1998-03-01

Grain boundaries and twin boundaries in commercial Cd 1-x Zn x Te, which is prepared by a high pressure Bridgeman technique, have been investigated with transmission electron microscopy, scanning electron microscopy, infrared light microscopy and visible light microscopy. Boundaries inside these materials were found to be decorated with Te precipitates. The shape and local density of the precipitates were found to depend on the particular boundary. For precipitates that decorate grain boundaries, their microstructure was found to consist of a single, saucer shaped grain of hexagonal Te (space group P3 1 21). Analysis of a Te precipitate precipitates by selected area diffraction revealed the Te to be aligned with the surrounding Cd 1-x Zn x Te grains. This alignment was found to match the (111) Cd 1-x Z x Te planes with the (1 bar 101) planes of hexagonal Te. Crystallographic alignments between the Cd 1-x Zn x Te grains were also observed for a high angle grain boundary. The structure of the grain boundaries and the Te/Cd 1-x Zn x Te interface are discussed

The Role of Grain Orientation and Grain Boundary Characteristics in the Mechanical Twinning Formation in a High Manganese Twinning-Induced Plasticity Steel

Science.gov (United States)

Shterner, Vadim; Timokhina, Ilana B.; Rollett, Anthony D.; Beladi, Hossein

2018-04-01

In the current study, the dependence of mechanical twinning on grain orientation and grain boundary characteristics was investigated using quasi in-situ tensile testing. The grains of three main orientations (i.e., , , and parallel to the tensile axis (TA)) and certain characteristics of grain boundaries (i.e., the misorientation angle and the inclination angle between the grain boundary plane normal and the TA) were examined. Among the different orientations, and were the most and the least favored orientations for the formation of mechanical twins, respectively. The orientation was intermediate for twinning. The annealing twin boundaries appeared to be the most favorable grain boundaries for the nucleation of mechanical twinning. No dependence was found for the inclination angle of annealing twin boundaries, but the orientation of grains on either side of the annealing twin boundary exhibited a pronounced effect on the propensity for mechanical twinning. Annealing twin boundaries adjacent to high Taylor factor grains exhibited a pronounced tendency for twinning regardless of their inclination angle. In general, grain orientation has a significant influence on twinning on a specific grain boundary.

Grain boundary engineering for control of tellurium diffusion in GH3535 alloy

Science.gov (United States)

Fu, Cai-Tao; Yinling, Wang; Chu, Xiang-Wei; Jiang, Li; Zhang, Wen-Zhu; Bai, Qin; Xia, Shuang; Leng, Bin; Li, Zhi-Jun; Ye, Xiang-Xi; Liu, Fang

2017-12-01

The effect of grain boundary engineering (GBE) on the Te diffusion along the surface grain boundaries was investigated in GH3535 alloy. It can be found that GBE treatment increases obviously the fraction of low-Σ coincidence site lattice (CSL) boundaries, especially the Σ3 ones, and introduces the large-size grain clusters. When the as-received (AR) and GBE-treated (GBET) specimens were exposed to Te vapor, only Σ3 boundaries were found to be resistant to Te diffusion. From the cross section and the surface, the fewer Te-attacked grain boundaries and the thinner corrosion layer can be observed in the GBET sample. The improvement of resistance to Te diffusion in the GBET sample can be attributed to the large size grain-clusters associated with high proportion of the Σ3n boundaries.

Simulation of grain boundary effects on electronic transport in metals, and detailed causes of scattering

Energy Technology Data Exchange (ETDEWEB)

Feldman, Baruch [Process Technology Modeling, Design and Technology Solutions, Technology and Manufacturing Group, Intel Corporation, Santa Clara, CA 95052 (United States); Department of Physics, University of Washington, Seattle, WA 98195 (United States); Park, Seongjun; Haverty, Michael; Shankar, Sadasivan [Process Technology Modeling, Design and Technology Solutions, Technology and Manufacturing Group, Intel Corporation, Santa Clara, CA 95052 (United States); Dunham, Scott T. [Department of Physics, University of Washington, Seattle, WA 98195 (United States); Department of Electrical Engineering, University of Washington, Seattle, WA 98195 (United States)

2010-07-15

We present first-principles simulations of single grain boundary reflectivity of electrons in noble metals, Cu and Ag. We examine twin and non-twin grain boundaries using non-equilibrium Green's function and first principles methods. We also investigate the determinants of reflectivity in grain boundaries by modeling atomic vacancies, disorder, and orientation and find that both the change in grain orientation and disorder in the boundary itself contribute significantly to reflectivity. We find that grain boundary reflectivity may vary widely depending on the grain boundary structure, consistent with published experimental results. Finally, we examine the reflectivity from multiple grain boundaries and find that grain boundary reflectivity may depend on neighboring grain boundaries. This study raises some potential limitations in the independent grain boundary assumptions of the Mayadas-Shatzkes (MS) model. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

AES/STEM grain boundary analysis of stabilized zirconia ceramics

NARCIS (Netherlands)

Winnubst, Aloysius J.A.; Kroot, P.J.M.; Burggraaf, A.J.

1983-01-01

Semiquantitative Auger Electron Spectroscopy (AES) on pure monophasic (ZrO2)0.83(YO1.5)0.17 was used to determine the chemical composition of the grain boundaries. Grain boundary enrichment with Y was observed with an enrichment factor of about 1.5. The difference in activation energy of the ionic

On grain-size-dependent void swelling in pure copper irradiated with fission neutrons

DEFF Research Database (Denmark)

Singh, Bachu Narain; Eldrup, Morten Mostgaard; Zinkle, S.J.

2002-01-01

The effect of grain size on void swelling has its origin in the intrinsic property of grain boundaries as neutral and unsaturable sinks for both vacancies and self-interstitial atoms. The phenomenon had already been investigated in the 1970s and it was demonstrated that the grain......-size-dependent void swelling measured under irradiation producing only Frenkel pairs could be satisfactorily explained in terms of the standard rate theory (SRT) and dislocation bias. Experimental results reported in the 1980s demonstrated, on the other hand, that the effect of grain boundaries on void swelling under...

Atomic scale study of grain boundary segregation before carbide nucleation in Ni-Cr-Fe Alloys

Science.gov (United States)

Li, Hui; Xia, Shuang; Liu, Wenqing; Liu, Tingguang; Zhou, Bangxin

2013-08-01

Three dimensional chemical information concerning grain boundary segregation before carbide nucleation was characterized by atom probe tomography in two Ni-Cr-Fe alloys which were aged at 500 °C for 0.5 h after homogenizing treatment. B, C and Si atoms segregation at grain boundary in Alloy 690 was observed. B, C, N and P atoms segregation at grain boundary in 304 austenitic stainless steel was observed. C atoms co-segregation with Cr atoms at the grain boundaries both in Alloy 690 and 304 austenitic stainless steel was found, and its effect on the carbide nucleation was discussed. The amount of each segregated element at grain boundaries in the two Ni-Cr-Fe alloys were analyzed quantitatively. Comparison of the grain boundary segregation features of the two Ni-Cr-Fe alloys were carried out based on the experimental results. The impurity and solute atoms segregate inhomogeneously in the same grain boundary both in 304 SS and Alloy 690. The grain boundary segregation tendencies (Sav) are B (11.8 ± 1.4) > P (5.4 ± 1.4) > N (4.7 ± 0.3) > C (3.7 ± 0.4) in 304 SS, and B (6.9 ± 0.9) > C (6.7 ± 0.4) > Si (1.5 ± 0.2) in Alloy 690. Cr atoms may co-segregate with C atoms at grain boundaries before carbide nucleation at the grain boundaries both in 304 SS and Alloy 690. Ni atoms generally deplete at grain boundary both in 304 SS and Alloy 690. The literature shows that the Ni atoms may co-segregate with P atoms at grain boundaries [28], but the P atoms segregation do not leads to Ni segregation in the current study. In the current study, Fe atoms may segregate or deplete at grain boundary in Alloy 690. But Fe atoms generally deplete at grain boundary in 304 SS. B atoms have the strongest grain boundary segregation tendency both in 304 SS and Alloy 690. The grain boundary segregation tendency and Gibbs free energy of B in 304 SS is higher than in Alloy 690. C atoms are easy to segregate at grain boundaries both in 304 SS and Alloy 690. The grain boundary segregation

Nonlinear Dynamics of Vortices in Different Types of Grain Boundaries

Science.gov (United States)

Sheikhzada, Ahmad K.

As a major component of linear particle accelerators, superconducting radio-frequency (SRF) resonator cavities are required to operate with lowest energy dissipation and highest accelerating gradient. SRF cavities are made of polycrystalline materials in which grain boundaries can limit maximum RF currents and produce additional power dissipation sources due to local penetration of Josephson vortices. The essential physics of vortex penetration and mechanisms of dissipation of vortices driven by strong RF currents along networks of grain boundaries and their contribution to the residual surface resistance have not been well understood. To evaluate how GBs can limit the performance of SRF materials, particularly Nb and Nb3Sn, we performed extensive numerical simulations of nonlinear dynamics of Josephson vortices in grain boundaries under strong dc and RF fields. The RF power due to penetration of vortices both in weakly-coupled and strongly-coupled grain boundaries was calculated as functions of the RF field and frequency. The result of this calculation manifested a quadratic dependence of power to field amplitude at strong RF currents, an illustration of resistive behavior of grain boundaries. Our calculations also showed that the surface resistance is a complicated function of field controlled by penetration and annihilation of vortices and antivortices in strong RF fields which ultimately saturates to normal resistivity of grain boundary. We found that Cherenkov radiation of rapidly moving vortices in grain boundaries can produce a new instability causing generation of expanding vortex-antivortex pair which ultimately drives the entire GB in a resistive state. This effect is more pronounced in polycrystalline thin film and multilayer coating structures in which it can cause significant increase in power dissipation and results in hysteresis effects in I-V characteristics, particularly at low temperatures.

Nonlinear Dynamics of Vortices in Different Types of Grain Boundaries

Energy Technology Data Exchange (ETDEWEB)

Sheikhzada, Ahmad [Old Dominion Univ., Norfolk, VA (United States)

2017-05-01

As a major component of linear particle accelerators, superconducting radio-frequency (SRF) resonator cavities are required to operate with lowest energy dissipation and highest accelerating gradient. SRF cavities are made of polycrystalline materials in which grain boundaries can limit maximum RF currents and produce additional power dissipation sources due to local penetration of Josephson vortices. The essential physics of vortex penetration and mechanisms of dissipation of vortices driven by strong RF currents along networks of grain boundaries and their contribution to the residual surface resistance have not been well understood. To evaluate how GBs can limit the performance of SRF materials, particularly Nb and Nb3Sn, we performed extensive numerical simulations of nonlinear dynamics of Josephson vortices in grain boundaries under strong dc and RF fields. The RF power due to penetration of vortices both in weakly-coupled and strongly-coupled grain boundaries was calculated as functions of the RF field and frequency. The result of this calculation manifested a quadratic dependence of power to field amplitude at strong RF currents, an illustration of resistive behavior of grain boundaries. Our calculations also showed that the surface resistance is a complicated function of field controlled by penetration and annihilation of vortices and antivortices in strong RF fields which ultimately saturates to normal resistivity of grain boundary. We found that Cherenkov radiation of rapidly moving vortices in grain boundaries can produce a new instability causing generation of expanding vortex-antivortex pair which ultimately drives the entire GB in a resistive state. This effect is more pronounced in polycrystalline thin film and multilayer coating structures in which it can cause significant increase in power dissipation and results in hysteresis effects in I-V characteristics, particularly at low temperatures.

Transport properties of olivine grain boundaries from electrical conductivity experiments

Science.gov (United States)

Pommier, Anne; Kohlstedt, David L.; Hansen, Lars N.; Mackwell, Stephen; Tasaka, Miki; Heidelbach, Florian; Leinenweber, Kurt

2018-05-01

Grain boundary processes contribute significantly to electronic and ionic transports in materials within Earth's interior. We report a novel experimental study of grain boundary conductivity in highly strained olivine aggregates that demonstrates the importance of misorientation angle between adjacent grains on aggregate transport properties. We performed electrical conductivity measurements of melt-free polycrystalline olivine (Fo90) samples that had been previously deformed at 1200 °C and 0.3 GPa to shear strains up to γ = 7.3. The electrical conductivity and anisotropy were measured at 2.8 GPa over the temperature range 700-1400 °C. We observed that (1) the electrical conductivity of samples with a small grain size (3-6 µm) and strong crystallographic preferred orientation produced by dynamic recrystallization during large-strain shear deformation is a factor of 10 or more larger than that measured on coarse-grained samples, (2) the sample deformed to the highest strain is the most conductive even though it does not have the smallest grain size, and (3) conductivity is up to a factor of 4 larger in the direction of shear than normal to the shear plane. Based on these results combined with electrical conductivity data for coarse-grained, polycrystalline olivine and for single crystals, we propose that the electrical conductivity of our fine-grained samples is dominated by grain boundary paths. In addition, the electrical anisotropy results from preferential alignment of higher-conductivity grain boundaries associated with the development of a strong crystallographic preferred orientation of the grains.

Applied Thermodynamics: Grain Boundary Segregation

Directory of Open Access Journals (Sweden)

Pavel Lejček

2014-03-01

Full Text Available Chemical composition of interfaces—free surfaces and grain boundaries—is generally described by the Langmuir–McLean segregation isotherm controlled by Gibbs energy of segregation. Various components of the Gibbs energy of segregation, the standard and the excess ones as well as other thermodynamic state functions—enthalpy, entropy and volume—of interfacial segregation are derived and their physical meaning is elucidated. The importance of the thermodynamic state functions of grain boundary segregation, their dependence on volume solid solubility, mutual solute–solute interaction and pressure effect in ferrous alloys is demonstrated.

Electrical properties of grain boundaries in polycrystalline materials under intrinsic or low doping

International Nuclear Information System (INIS)

Chowdhury, M H; Kabir, M Z

2011-01-01

An analytical model is developed to study the electrical properties (electric field and potential distributions, potential energy barrier height and polarization phenomenon) of polycrystalline materials at intrinsic or low doping for detector and solar cell applications by considering an arbitrary amount of grain boundary charge and a finite width of grain boundary region. The general grain boundary model is also applicable to highly doped polycrystalline materials. The electric field and potential distributions are obtained by solving Poisson's equation in both depleted grains and grain boundary regions. The electric field and potential distributions across the detector are analysed under various doping, trapping and applied biases. The electric field collapses, i.e. a nearly zero-average electric field region exists in some part of the biased detector at high trapped charge densities at the grain boundaries. The model explains the conditions of existence of a zero-average field region, i.e. the polarization mechanisms in polycrystalline materials. The potential energy barrier at the grain boundary exists if the electric field changes its sign at the opposite side of the grain boundary. The energy barrier does not exist in all grain boundaries in the low-doped polycrystalline detector and it never exists in intrinsic polycrystalline detectors under applied bias condition provided that there is no charge trapping in the grain.

Plastic deformation of uranium dioxide: observation of the sub-structures of dislocations

International Nuclear Information System (INIS)

Alamo, A.; Lefebvre, J.M.; Soullard, J.

1978-01-01

Single crystals of uranium dioxide were deformed in compression at imposed strain rates in the temperature range of 700 0 C to 1400 0 C. The crystals were oriented to promote slip over one or two slip systems of the family [100] and also on the [110] system. Thin films of the deformed specimens were examined by transmission electron microscopy. When [100] single glide system operates, the dislocation substructure consist of numerous dipoles, their edge components lying along directions. For the [100] double glide system the grain boundaries and dislocation hexagonal network are observed, the complexity of which increases with the nominal strain. Dislocation arrangments consisting of extensive cellular networks of tangling dislocations and hexagonal netting were detected for [110] system. The auxillary role of [111] planes on the dislocation cross slip from [100] and [110] system was demonstrated. Weak beam images suggest that dissociation of dislocations can occur. (Auth.)

Shear-coupled grain-boundary migration dependence on normal strain/stress

Science.gov (United States)

Combe, N.; Mompiou, F.; Legros, M.

2017-08-01

In specific conditions, grain-boundary (GB) migration occurs in polycrystalline materials as an alternative vector of plasticity compared to the usual dislocation activity. The shear-coupled GB migration, the expected most efficient GB based mechanism, couples the GB motion to an applied shear stress. Stresses on GB in polycrystalline materials seldom have, however, a unique pure shear component. This work investigates the influence of a normal strain on the shear coupled migration of a Σ 13 (320 )[001 ] GB in a copper bicrystal using atomistic simulations. We show that the yield shear stress inducing the GB migration strongly depends on the applied normal stress. Beyond, the application of a normal stress on this GB qualitatively modifies the GB migration: while the Σ 13 (320 )[001 ] GB shear couples following the 〈110 〉 migration mode without normal stress, we report the observation of the 〈010 〉 mode under a sufficiently high tensile normal stress. Using the nudge elastic band method, we uncover the atomistic mechanism of this 〈010 〉 migration mode and energetically characterize it.

Influence of grain boundaries on elasticity and thermal conductivity of nanocrystalline diamond films

International Nuclear Information System (INIS)

Mohr, Markus; Daccache, Layal; Horvat, Sebastian; Brühne, Kai; Jacob, Timo; Fecht, Hans-Jörg

2017-01-01

Diamond combines several outstanding material properties such as the highest thermal conductivity and highest elastic moduli of all materials. This makes diamond an interesting candidate for a multitude of applications. Nonetheless, nanocrystalline diamond films, layers and coatings, usually show properties different to those of single crystalline diamond. This is usually attributed to the larger volume fraction of the grain boundaries with atomic structure different from the single crystal. In this work we measured Young's modulus and thermal conductivity of nanocrystalline diamond films with average grain sizes ranging from 6 to 15 nm. The measured thermal conductivities are modeled considering the thermal boundary conductance between grains as well as a grain size effect on the phonon mean free path. We make a comparison between elastic modulus and thermal boundary conductance of the grain boundaries G_k for different nanocrystalline diamond films. We conclude that the grain boundaries thermal boundary conductance G_k is a measure of the cohesive energy of the grain boundaries and therefore also of the elastic modulus of the nanocrystalline diamond films.

Influence of plastic slip localization on grain boundary stress fields and microcrack nucleation

International Nuclear Information System (INIS)

Sauzay, Maxime; Vor, Kokleang

2013-01-01

Slip localization is widely observed in metallic polycrystals after tensile deformation, cyclic deformation (persistent slip bands) or pre-irradiation followed by tensile deformation (channels). Such strong deformation localized in thin slip bands induces local stress concentrations in the quasi-elastic matrix around, at the intersections between slip bands and grain boundaries where microcracks are often observed. Since the work of Stroh, such stress fields have been modeled using the dislocation pile-up theory which leads to stress singularities similar to the LEFM ones. The Griffith criterion has then been widely applied, leading usually to strong underestimations of the macroscopic stress for microcrack nucleation. In fact, slip band thickness is finite: 50-1000 nm depending on material, temperature and loading conditions. Then, many slip planes are plastically activated through the thickness. Stress fields have probably been overestimated using the pile-up theory which assumes that all dislocations are located on the same atomic plane. To evaluate more realistic stress fields, crystalline finite element (FE) computations are carried out using microstructure inputs (slip band aspect ratio and spacing). Slip bands (low critical resolved shear stress) are embedded in an elastic matrix. The following results are obtained concerning grain boundary normal stress fields: - strong influence of slip band thickness close to the slip band corner, which is not accounted for by the pile-up theory. But far away, the thickness has a negligible effect and the predicted stress fields are close to the one predicted by the pile-up theory, - analytical formulae are deduced from the numerous FE computation results which allows the prediction of surface/bulk slips as well as grain boundary stress fields. Slip band plasticity parameters, slip band length and thickness, Schmid factor and remote stress are taken into account. The dependence with respect to the various parameters can

A phase field study of strain energy effects on solute–grain boundary interactions

International Nuclear Information System (INIS)

Heo, Tae Wook; Bhattacharyya, Saswata; Chen Longqing

2011-01-01

We have studied strain-induced solute segregation at a grain boundary and the solute drag effect on boundary migration using a phase field model integrating grain boundary segregation and grain structure evolution. The elastic strain energy of a solid solution due to the atomic size mismatch and the coherency elastic strain energy caused by the inhomogeneity of the composition distribution are obtained using Khachaturyan’s microelasticity theory. Strain-induced grain boundary segregation at a static planar boundary is studied numerically and the equilibrium segregation composition profiles are validated using analytical solutions. We then systematically studied the effect of misfit strain on grain boundary migration with solute drag. Our theoretical analysis based on Cahn’s analytical theory shows that enhancement of the drag force with increasing atomic size mismatch stems from both an increase in grain boundary segregation due to the strain energy reduction and misfit strain relaxation near the grain boundary. The results were analyzed based on a theoretical analysis in terms of elastic and chemical drag forces. The optimum condition for solute diffusivity to maximize the drag force under a given driving force was identified.

Strain fields around dislocation arrays in a Σ9 silicon bicrystal measured by scanning transmission electron microscopy

Science.gov (United States)

Couillard, Martin; Radtke, Guillaume; Botton, Gianluigi A.

2013-04-01

Strain fields around grain boundary dislocations are measured by applying geometric phase analysis on atomic resolution images obtained from multiple fast acquisitions in scanning transmission electron microscopy. Maps of lattice distortions in silicon introduced by an array of pure edge dislocations located at a Σ9(122) grain boundary are compared with the predictions from isotropic elastic theory, and the atomic structure of dislocation cores is deduced from images displaying all the atomic columns. For strain measurements, reducing the acquisition time is found to significantly decrease the effects of instabilities on the high-resolution images. Contributions from scanning artefacts are also diminished by summing multiple images following a cross-correlation alignment procedure. Combined with the sub-Ångström resolution obtained with an aberration corrector, and the stable dedicated microscope's environment, therapid acquisition method provides the measurements of atomic displacements with accuracy below 10 pm. Finally, the advantages of combining strain measurements with the collection of various analytical signals in a scanning transmission electron microscope are discussed.

Inter- and intragranular plasticity mechanisms in ultrafine-grained Al thin films: An in situ TEM study

International Nuclear Information System (INIS)

Mompiou, F.; Legros, M.; Boé, A.; Coulombier, M.; Raskin, J.-P.; Pardoen, T.

2013-01-01

The nature of the elementary deformation mechanisms in small-grained metals has been the subject of numerous recent studies. In the submicron range, mechanisms other than intragranular dislocation mechanisms, such as grain boundary (GB)-based mechanisms, are active and can explain the deviations from the Hall–Petch law. Here, we report observations performed during in situ transmission electron microscopy (TEM) tensile tests on initially dislocation-free Al thin films with a mean grain size around 250 nm prepared by microfabrication techniques. Intergranular plasticity is activated at the onset of plasticity. It consists of the motion of dislocations in the GB plane irrespective of the GB character. Surface imperfections, such as GB grooves, are supposed to trigger intergranular plasticity. At larger deformations, the motion of the intergranular dislocations leads to GB sliding and eventually cavitation. In the meantime, GB stress-assisted migration and dislocation emission inside the grain from GB sources have also been observed. The observation of these different mechanisms during the deformation provides an important insight into the understanding of the mechanical properties of metallic thin films.

Spatially resolved mapping of electrical conductivity across individual domain (grain) boundaries in graphene.

Science.gov (United States)

Clark, Kendal W; Zhang, X-G; Vlassiouk, Ivan V; He, Guowei; Feenstra, Randall M; Li, An-Ping

2013-09-24

All large-scale graphene films contain extended topological defects dividing graphene into domains or grains. Here, we spatially map electronic transport near specific domain and grain boundaries in both epitaxial graphene grown on SiC and CVD graphene on Cu subsequently transferred to a SiO2 substrate, with one-to-one correspondence to boundary structures. Boundaries coinciding with the substrate step on SiC exhibit a significant potential barrier for electron transport of epitaxial graphene due to the reduced charge transfer from the substrate near the step edge. Moreover, monolayer-bilayer boundaries exhibit a high resistance that can change depending on the height of substrate step coinciding at the boundary. In CVD graphene, the resistance of a grain boundary changes with the width of the disordered transition region between adjacent grains. A quantitative modeling of boundary resistance reveals the increased electron Fermi wave vector within the boundary region, possibly due to boundary induced charge density variation. Understanding how resistance change with domain (grain) boundary structure in graphene is a crucial first step for controlled engineering of defects in large-scale graphene films.

Atomic simulation of bcc niobium Σ5〈001〉{310} grain boundary under shear deformation

International Nuclear Information System (INIS)

Huang, Bo-Wen; Shang, Jia-Xiang; Liu, Zeng-Hui; Chen, Yue

2014-01-01

The shear behaviors of grain boundaries are investigated using molecular dynamics simulations. The Σ5〈001〉{310} symmetric tilt grain boundary (GB) of body-centered cubic (bcc) Nb is investigated and the simulations are conducted under a series of shear directions at a wide range of temperatures. The results show that the GB shearing along [13 ¯ 0], which is perpendicular to the tilt axis, has a coupled motion behavior. The coupling factor is predicted using Cahn’s model. The critical stress of the coupling motion is found to decrease exponentially with increasing temperature. The GB under shear deformation along the [001 ¯ ] direction, which is parallel to the tilt axis, has a pure sliding behavior at most of the temperatures investigated. The critical stress of sliding is found to be much larger than that of the coupled motion at the same temperature. At very low temperatures, pure sliding is not observed, and dislocation nucleating and extending is found on GBs. We observed mixed behaviors when the shear direction is between [13 ¯ 0] and [001 ¯ ]. The transition region between GB coupled motion and pure sliding is determined. If the shear angles between the shear direction and the tilt axis are larger than a certain value, the GB has a coupled motion behavior similar to the [13 ¯ 0] direction. A GB with a shear angle smaller than the critical angle exhibits mixed mechanisms at low temperatures, such as dislocation, atomic shuffle and GB distortion, whereas for the [001 ¯ ]-like GB pure sliding is the dominating mechanism at high temperatures. The stresses to activate the coupling and gliding motions are analyzed for shear deformations along different directions at various temperatures

An alternative explanation for evidence that xenon depletion, pore formation, and grain subdivision begin at different local burnups

International Nuclear Information System (INIS)

Rest, J.; Hofman, G.L.

2000-01-01

In order to interpret the recent observation that xenon depletion, pore formation, and grain subdivision occur successively at increasing local burnups, a rate-theory-based model is used to investigate the nucleation and growth of cavities during low-temperature irradiation of UO 2 in the presence of irradiation-induced interstitial-loop formation and growth. Consolidation of the dislocation structure takes into account the generation of forest dislocations and capture of interstitial dislocation loops. The loops accumulate and ultimately evolve into a low-energy cellular dislocation structure. The cell walls have been previously identified as recrystallization nuclei. The calculations indicate that nanometer-size bubbles are associated with this cellular dislocation structure while the observed micron-size bubbles are presumed to be either preexisting pores deformed by adjacent grains and/or new pores formed in the new recrystallized grain-boundary junctions. Subsequent to recrystallization, gas released from the recrystallized grains feeds the preexisting pores and the recrystallized grains may appear to form a preferential concentration of subdivided grains around the growing pores. This picture is illustrated in a sequence of photomicrographs of irradiated U 3 O 8

Grain boundary precipitation strengthening mechanism in W containing advanced creep resistant ferritic steels

Energy Technology Data Exchange (ETDEWEB)

Shibata, T.; Hasegawa, Y. [Tohoku Univ., Sendai (Japan)

2010-07-01

Grain boundary precipitation strengthening is expected to be a decisive factor in developing ferritic creep resistant steels. This study examined the grain boundary precipitation strengthening mechanism extracting the effect of the tempered martensitic microstructure and precipitates on the high angle grain boundary in M{sub 23}C4{sub 6} type carbide and the Fe{sub 2}W type Laves phase effect of the creep deformation fixing the grain boundary according to transmission electron microscope (TEM) observation. A creep test was carried out at high temperature in order to evaluate the high angle boundary strengthening effect simulating the long-term creep deformation microstructure by the lath structure disappearance. The correlation of the creep rupture time and the grain boundary shielding ratio were found to be independent of precipitate type. The creep deformation model represents block boundary shielding by precipitates as the decisive factor for W containing ferritic creep resistant steels. (orig.)

Retardation of grain boundary self-diffusion in nickel doped with antimony and tin

International Nuclear Information System (INIS)

Padgett, R.A.; White, C.L.

1984-01-01

Many important metallurgical phenomena are strongly influenced or controlled by grain boundary mass transport. There is also much evidence that the composition of grain boundaries is often significantly different from the overall composition of metals and alloys, owing to strong segregation of residual (and often undetected) impurities. This segregation, which does not always advertise its presence through grain boundary brittleness, may vary markedly from heat to heat, and occasionally from specimen to specimen within a given heat. Unfortunately, there are relatively few experimental observations of how such segregation affects grain boundary mass transport, and even less fundamental understanding of how these effects occur. In this paper we present autoradiographic results on self-diffusion of 63 Ni in nickel and nickel doped with antimony and tin. While these results do not permit a quantitative evaluation of the grain boundary diffusivity, D, they qualitatively illustrate the dramatic effect that these solute elements have on the ability of nickel grain boundaries to act as preferential paths for mass transport

Grain boundary engineering for structure materials of nuclear reactors

Science.gov (United States)

Tan, L.; Allen, T. R.; Busby, J. T.

2013-10-01

Grain boundary engineering (GBE), primarily implemented by thermomechanical processing, is an effective and economical method of enhancing the properties of polycrystalline materials. Among the factors affecting grain boundary character distribution, literature data showed definitive effect of grain size and texture. GBE is more effective for austenitic stainless steels and Ni-base alloys compared to other structural materials of nuclear reactors, such as refractory metals, ferritic and ferritic-martensitic steels, and Zr alloys. GBE has shown beneficial effects on improving the strength, creep strength, and resistance to stress corrosion cracking and oxidation of austenitic stainless steels and Ni-base alloys.

Grain boundary engineering for structure materials of nuclear reactors

Energy Technology Data Exchange (ETDEWEB)

Tan, L., E-mail: tanl@ornl.gov [Materials Science and Technology Division, Oak Ridge National Laboratory (United States); Allen, T.R. [Department of Engineering Physics, University of Wisconsin–Madison (United States); Busby, J.T. [Materials Science and Technology Division, Oak Ridge National Laboratory (United States)

2013-10-15

Grain boundary engineering (GBE), primarily implemented by thermomechanical processing, is an effective and economical method of enhancing the properties of polycrystalline materials. Among the factors affecting grain boundary character distribution, literature data showed definitive effect of grain size and texture. GBE is more effective for austenitic stainless steels and Ni-base alloys compared to other structural materials of nuclear reactors, such as refractory metals, ferritic and ferritic–martensitic steels, and Zr alloys. GBE has shown beneficial effects on improving the strength, creep strength, and resistance to stress corrosion cracking and oxidation of austenitic stainless steels and Ni-base alloys.

Interaction between particles and grain boundaries under conditions of cooperative migration

International Nuclear Information System (INIS)

Marvina, L.A.; Marvin, V.B.

1996-01-01

The analysis of particle grain boundary interaction is performed for dispersion hardened alloys when cooperative migration takes place. It is shown that in a general case the particle experiences a Zener force and a force of grain boundary surface tension due to boundary bending between particles. Approximate numerical estimates are made for the force acting on a particle in dispersion hardened alloy Ni-HfO 2 . It is noted that during cooperative migration of particle and grain boundary the velocity of the particle is directed along the resulting force. The latter equals the sum of surface tension and Zener forces. 6 refs., 2 figs

Changes in grain boundary composition induced by neutron irradiation of austenitic stainless steels

International Nuclear Information System (INIS)

Asano, K.; Nakata, K.; Fukuya, K.; Kodama, M.

1992-01-01

The radiation induced segregation of solutes to the grain boundary in austenitic stainless steels were studied. Type 304 and type 316 steel samples neutron irradiated at 561K up to 9.2x10 25 n/m 2 were obtained and minute compositional profiles across grain boundaries were examined using an analytical scanning transmission electron microscope equipped with a field emission electron gun. Chromium was slightly enriched at grain boundaries at the lowest irradiation dose but decreased with increasing fluence. Higher fluence irradiation resulted in depletion in chromium and molybdenum, and enrichment in nickel, silicon and phosphorus. These changes in grain boundary chemistry were limited within about 5nm of the boundary. Significant depletion of chromium and enrichment of impurities on the grain boundary occurred at fluences roughly coincidental with that of SCC susceptibility change obtained from another project

Evaluation of deformation behavior of in grains and grain boundaries of L-grade austenitic stainless steel 316L

International Nuclear Information System (INIS)

Nagashima, Nobuo; Hayakawa, Masao; Tsukada, Takashi; Kaji, Yoshiyuki; Miwa, Yukio; Ando, Masami; Nakata, Kiyotomo

2009-01-01

In this study, micro-hardness tests and AFM observations were performed on SUS 316L low-carbon austenitic stainless steel pre-strained by cold rolling to investigate its deformation behavior. The following results were obtained. Despite the fact that the same plastic strain was applied, post-tensile test AFM showed narrower slip-band spacing in a reduction in area of 30% cold-rolled specimen than the unrolled specimen. Concentrated slip bands were observed near grain boundaries. These were presumably due to slip blocking at grain boundaries. SCC sensitivity increased at a hardness of 300 or higher, the frequency occurrence of a hardness of 300 or higher in the micro-hardness measurements was compared. The micro-hardness did not exceed 300 both within grains and at grain boundaries in the unrolled and up to a reduction in area of 20% cold-rolled specimens of before and after the tensile tests. Micro-hardness exceeding 300 was found to occur frequently in after tensile test specimens with a reduction in area of 30% or more, particularly at grain boundaries. It is suggested that the nonuniformity of deformation at grain boundaries plays an important role of IGSCC crack propagation mechanism of low-carbon austenitic stainless steel. (author)

Wetting and crystallization at grain boundaries: Origin of aluminum-induced crystallization of amorphous silicon

International Nuclear Information System (INIS)

Wang, J.Y.; He, D.; Zhao, Y.H.; Mittemeijer, E.J.

2006-01-01

It has been shown experimentally that the grain boundaries in aluminium in contact with amorphous silicon are the necessary agents for initiation of the crystallization of silicon upon annealing temperatures as low as 438 K. Thermodynamic analysis has shown (i) that Si can 'wet' the Al grain boundaries due to the favorable Si/Al interface energy as compared to the Al grain-boundary energy and (ii) that Si at the Al grain boundaries can maintain its amorphous state up to a thickness of about 1.0 nm. Beyond that thickness crystalline Si develops at the Al grain boundaries

Temperature dependence of grain boundary free energy and elastic constants

International Nuclear Information System (INIS)

Foiles, Stephen M.

2010-01-01

This work explores the suggestion that the temperature dependence of the grain boundary free energy can be estimated from the temperature dependence of the elastic constants. The temperature-dependent elastic constants and free energy of a symmetric Σ79 tilt boundary are computed for an embedded atom method model of Ni. The grain boundary free energy scales with the product of the shear modulus times the lattice constant for temperatures up to about 0.75 the melting temperature.

Estimation of dislocations density and distribution of dislocations during ECAP-Conform process

Science.gov (United States)

Derakhshan, Jaber Fakhimi; Parsa, Mohammad Habibi; Ayati, Vahid; Jafarian, Hamidreza

2018-01-01

Dislocation density of coarse grain aluminum AA1100 alloy (140 µm) that was severely deformed by Equal Channel Angular Pressing-Conform (ECAP-Conform) are studied at various stages of the process by electron backscattering diffraction (EBSD) method. The geometrically necessary dislocations (GNDs) density and statistically stored dislocations (SSDs) densities were estimate. Then the total dislocations densities are calculated and the dislocation distributions are presented as the contour maps. Estimated average dislocations density for annealed of about 2×1012 m-2 increases to 4×1013 m-2 at the middle of the groove (135° from the entrance), and they reach to 6.4×1013 m-2 at the end of groove just before ECAP region. Calculated average dislocations density for one pass severely deformed Al sample reached to 6.2×1014 m-2. At micrometer scale the behavior of metals especially mechanical properties largely depend on the dislocation density and dislocation distribution. So, yield stresses at different conditions were estimated based on the calculated dislocation densities. Then estimated yield stresses were compared with experimental results and good agreements were found. Although grain size of material did not clearly change, yield stress shown intensive increase due to the development of cell structure. A considerable increase in dislocations density in this process is a good justification for forming subgrains and cell structures during process which it can be reason of increasing in yield stress.

Thermally activated phase slippage in high-Tc grain-boundary Josephson junctions

International Nuclear Information System (INIS)

Gross, R.; Chaudhari, P.; Dimos, D.; Gupta, A.; Koren, G.

1990-01-01

The effect of thermally activated phase slippage (TAPS) in YBa 2 Cu 3 O 7 grain-boundary Josephson junctions has been studied. TAPS has been found to be responsible for the dc noise voltage superimposed on the dc Josephson current near the transition temperature. Because of the reduced Josephson coupling energy of the grain-boundary junctions, which is caused by a reduced superconducting order parameter at the grain-boundary interface, TAPS is present over a considerable temperature range. The implications of TAPS on the applicability of high-T c Josephson junctions are outlined

Assessment of geometrically necessary dislocation levels derived by 3D EBSD

International Nuclear Information System (INIS)

Konijnenberg, P.J.; Zaefferer, S.; Raabe, D.

2015-01-01

Existing alternatives for the calculation of geometrically necessary dislocation (GND) densities from orientation fields are discussed. Importantly, we highlight the role of reference frames and consider different sources of error. A well-controlled micro cantilever bending experiment on a copper bicrystal has been analyzed by 3-dimensional electron back scatter diffraction (3D EBSD). The GND density is determined experimentally by two different approaches and assessed theoretically, assuming a homogeneous bending of the cantilever. Experiment and theory agree very well. It is further shown that the deformation is accommodated mainly by GNDs, which carry and store lattice rotation, and not (only) by mobile dislocations that leave a crystal portion inspected, without lattice rotations. A detailed GND analysis reveals a local density minimum close to the grain boundary and a distinct difference in edge to screw ratios for both grains

Concentration contours in lattics and grain boundary diffusion in a polycrystalline solid

International Nuclear Information System (INIS)

Kim, Yong Soo; Jae, Won Mok; El Saied, Usama; Olander, Donald R.

1995-01-01

Grain boundary diffusion plays significant role in the fission gas release, which is one of the crucial processes dominating nuclear fuel performance. Gaseous fission products such as Xe and Kr generated inside fuel pellet have to diffuse in the lattice and in the grain boundary before they reach open space in the fuel rod. In the mean time, the grains in the fuel pellet grow and shrink according to grain growth kinetics, especially at elevated temperature at which nuclear reactors are operating. Thus the boundary movement ascribed to the grain growth greatly influences the fission gas release rate by lengthening or shortening the lattice diffusion distance, which is the rate limiting step. Sweeping fission gases by the moving boundary contributes to the increment of the fission gas release as well. Lattice and grain boundary diffusion processes in the fission gas release can be studied by 'tracer diffusion' technique, by which grain boundary diffusivity can be estimated and used directly for low burn up fission gas release analysis. However, even for tracer diffusion analysis, taking both the intragranular grain growth and the diffusion processes simultaneously into consideration is not easy. Only a few models accounting for the both processes are available and mostly handle them numerically. Numerical solutions are limited in the practical use. Here in this paper, an approximate analytical solution of the lattice and stationary grain boundary diffusion in a polycrystalline solid is developed for the tracer diffusion techniques. This short closed form solution is compared to available exact and numerical solutions and turns out to be acceptably accurate. It can be applied to the theoretical modeling and the experimental analysis, especially PIE (post irradiation examination), of low burn up fission gas release

Chevron defect at the intersection of grain boundaries with free surfaces in Au

International Nuclear Information System (INIS)

Radetic, T.; Lancon, F.; Dahmen, U.

2002-01-01

We have identified a new defect at the intersection between grain boundaries and surfaces in Au using atomic resolution transmission electron microscopy. At the junction line of 90 deg. tilt grain boundaries of (110)-(001) orientation with the free surface, a small segment of the grain boundary, about 1 nm in length, dissociates into a triangular region with a chevronlike stacking disorder and a distorted hcp structure. The structure and stability of these defects are confirmed by atomistic simulations, and we point out the relationship with the one-dimensional incommensurate structure of the grain boundary

Grain boundary diffusion in terms of the tempered fractional calculus

International Nuclear Information System (INIS)

Sibatov, R.T.; Svetukhin, V.V.

2017-01-01

Mathematical treatment of grain-boundary diffusion based on the model first proposed by Fisher is usually formulated in terms of normal diffusion equations in a two-component nonhomogeneous medium. On the other hand, fractional equations of anomalous diffusion proved themselves to be useful in description of grain-boundary diffusion phenomena. Moreover, the most important propagation regime predicted by Fisher's model demonstrates subdiffusive behavior. However, the direct link between fractional approach and the Fisher model and its modifications has not found yet. Here, we fill this gap and show that solution of fractional subdiffusion equation offers general properties of classical solutions obtained by Whipple and Suzuoka. The tempered fractional approach is a convenient tool for studying precipitation in granular materials as the tempered subdiffusion limited process. - Highlights: • The link connected fractional diffusion approach and Fisher's model of grain-boundary diffusion is derived. • The subdiffusion exponent of grain-boundary diffusion can differ from 1/2. • Nucleation in granular materials is modeled by the process limited by tempered subdiffusion.

Grain boundary diffusion in terms of the tempered fractional calculus

Energy Technology Data Exchange (ETDEWEB)

Sibatov, R.T., E-mail: ren_sib@bk.ru [Ulyanovsk State University, 432017, 42 Leo Tolstoy str., Ulyanovsk (Russian Federation); Svetukhin, V.V. [Ulyanovsk State University, 432017, 42 Leo Tolstoy str., Ulyanovsk (Russian Federation); Institute of Nanotechnology and Microelectronics of the Russian Academy of Sciences, 115487, 18 Nagatinskaya str., Moscow (Russian Federation)

2017-06-28

Mathematical treatment of grain-boundary diffusion based on the model first proposed by Fisher is usually formulated in terms of normal diffusion equations in a two-component nonhomogeneous medium. On the other hand, fractional equations of anomalous diffusion proved themselves to be useful in description of grain-boundary diffusion phenomena. Moreover, the most important propagation regime predicted by Fisher's model demonstrates subdiffusive behavior. However, the direct link between fractional approach and the Fisher model and its modifications has not found yet. Here, we fill this gap and show that solution of fractional subdiffusion equation offers general properties of classical solutions obtained by Whipple and Suzuoka. The tempered fractional approach is a convenient tool for studying precipitation in granular materials as the tempered subdiffusion limited process. - Highlights: • The link connected fractional diffusion approach and Fisher's model of grain-boundary diffusion is derived. • The subdiffusion exponent of grain-boundary diffusion can differ from 1/2. • Nucleation in granular materials is modeled by the process limited by tempered subdiffusion.

Dislocation structures of Σ3 {112} twin boundaries in face centered cubic metals

Science.gov (United States)

Wang, J.; Anderoglu, O.; Hirth, J. P.; Misra, A.; Zhang, X.

2009-07-01

High resolution transmission electron microscopy of nanotwinned Cu films revealed Σ3 {112} incoherent twin boundaries (ITBs), with a repeatable pattern involving units of three {111} atomic planes. Topological analysis shows that Σ3 {112} ITBs adopt two types of atomic structure with differing arrangements of Shockley partial dislocations. Atomistic simulations were performed for Cu and Al. These studies revealed the structure of the two types of ITBs, the formation mechanism and stability of the associated 9R phase, and the influence of stacking fault energies on them. The results suggest that Σ3 {112} ITBs may migrate through the collective glide of partial dislocations.

Effective search for stable segregation configurations at grain boundaries with data-mining techniques

Science.gov (United States)

Kiyohara, Shin; Mizoguchi, Teruyasu

2018-03-01

Grain boundary segregation of dopants plays a crucial role in materials properties. To investigate the dopant segregation behavior at the grain boundary, an enormous number of combinations have to be considered in the segregation of multiple dopants at the complex grain boundary structures. Here, two data mining techniques, the random-forests regression and the genetic algorithm, were applied to determine stable segregation sites at grain boundaries efficiently. Using the random-forests method, a predictive model was constructed from 2% of the segregation configurations and it has been shown that this model could determine the stable segregation configurations. Furthermore, the genetic algorithm also successfully determined the most stable segregation configuration with great efficiency. We demonstrate that these approaches are quite effective to investigate the dopant segregation behaviors at grain boundaries.

Deformation bands in ⟨120⟩ grains in coarse-grained aluminium

DEFF Research Database (Denmark)

Bilde-Sørensen, Jørgen

1986-01-01

Coarse-grained aluminium, deformed in tension to a strain of 0.05, was examined in a scanning electron microscope by channelling contrast. Pronounced bands with a width typically of the order of 200 μm were found in some grains with an orientation close to [120]. When observed on surfaces close......)[011](111) and (a/2)[011](111). The Schmid factor for the highest stressed secondary systems has a local minimum of 0.245 at [120]. The application of Frank's equation shows that the only boundaries without long-range stresses that can be formed by combination of the two sets of dislocations, (a/2)- [011...

Structure and transport at grain boundaries in polycrystalline olivine: An atomic-scale perspective

Science.gov (United States)

Mantisi, Boris; Sator, Nicolas; Guillot, Bertrand

2017-12-01

Structure and transport properties at grain boundaries in polycrystalline olivine have been investigated at the atomic scale by molecular dynamics simulation (MD) using an empirical ionocovalent interaction potential. On the time scale of the simulation (a few tens of nanoseconds for a system size of ∼650,000 atoms) grain boundaries and grain interior were identified by mapping the atomic displacements along the simulation run. In the investigated temperature range (1300-1700 K) the mean thickness of the grain boundary phase is evaluated between 0.5 and 2 nm, a value which depends on temperature and grain size. The structure of the grain boundary phase is found to be disordered (amorphous-like) and is different from the one exhibited by the supercooled liquid. The self-diffusion coefficients of major elements in the intergranular region range from ∼10-13 to 10-10 m2/s between 1300 and 1700 K (with DSigb Kubo relation expressing the viscosity as function of the stress tensor time correlation function. In spite of a slow convergence of the calculation by MD, the grain boundary viscosity was estimated about ∼105 Pa s at 1500 K, a value in agreement with high-temperature viscoelastic relaxation data. An interesting information gained from MD is that sliding at grain boundaries is essentially controlled by the internal friction between the intergranular phase and the grain edges.

Development of helium porosity near-by grain boundaries in nickel-carbon alloys

International Nuclear Information System (INIS)

Reutov, I.V.; Reutov, V.F.

1995-01-01

The peculiarities of development of helium porosity near grain boundaries in nickel with 0.002-0.065 at.% carbon uniformly doped with helium up to 2·10 -2 at.% in the process of post-irradiation isothermal annealing at 800 deg C for 1-50 hours are studied. It is stated that at this annealing temperature intensive nucleation and growth of bubbles are observed in near-boundary region whose width grows both with increase of annealing time and carbon content. The TEM studies have shown that in near-boundary zone itself the process of bubble growth is non-uniform: bubble size increases and their density decreases as the distance from grain boundary is increased. The effect observed is discussed from the point of view of formation of two zones with different level of swelling in a grain (near-by boundary and matrix) and consequently, hydrostatic stress as well conditioning the flux of vacancies and helium-vacancy complexes from matrix to grain boundary. 8 refs., 5 figs

New deformation model of grain boundary strengthening in polycrystalline metals

International Nuclear Information System (INIS)

Trefilov, V.I.; Moiseev, V.F.; Pechkovskij, Eh.P.

1988-01-01

A new model explaining grain boundary strengthening in polycrystalline metals and alloys by strain hardening due to localization of plastic deformation in narrow bands near grain boundaries is suggested. Occurrence of localized deformation is caused by different flow stresses in grains of different orientation. A new model takes into account the active role of stress concentrator, independence of the strengthening coefficient on deformation, influence of segregations. Successful use of the model suggested for explanation of rhenium effect in molybdenum and tungsten is alloys pointed out

Cyclically induced softening due to low-angle boundary annihilation in a martensitic steel

International Nuclear Information System (INIS)

Sauzay, Maxime; Brillet, Helene; Monnet, Isabelle; Mottot, Michel; Barcelo, Francoise; Fournier, Benjamin; Pineau, Andre

2005-01-01

Martensitic steels are known for their softening during cyclic tests carried out at high temperature. The softening has been at least partially explained by lath and sub-grain boundary elimination. This article is dedicated to an attempt at modelling both phenomena. Thanks to mechanical tests it is shown that the softening is mainly due to a decrease of the backstress. Transmission electron microscopy allows us to propose a mechanism of low-angle boundary elimination. Annihilation between dislocations of low-angle boundaries and incident mobile dislocations is modelled. The macroscopic backstress is finally computed using a Hall-Petch law and the Taylor model

Atomic scale study of grain boundary segregation before carbide nucleation in Ni–Cr–Fe Alloys

Energy Technology Data Exchange (ETDEWEB)

Li, Hui, E-mail: huili@shu.edu.cn [Key Laboratory for Microstructures, Shanghai University, Shanghai 200444 (China); Institute of Materials, Shanghai University, Shanghai 200072 (China); Xia, Shuang [Institute of Materials, Shanghai University, Shanghai 200072 (China); Liu, Wenqing [Key Laboratory for Microstructures, Shanghai University, Shanghai 200444 (China); Liu, Tingguang; Zhou, Bangxin [Institute of Materials, Shanghai University, Shanghai 200072 (China)

2013-08-15

Highlights: • Impurities segregated at grain boundaries were observed by atom probe tomography. • The comparison of segregation features in two Ni–Cr–Fe alloys was studied by APT. • C and Cr atoms co-segregated at grain boundaries before carbide precipitation. -- Abstract: Three dimensional chemical information concerning grain boundary segregation before carbide nucleation was characterized by atom probe tomography in two Ni–Cr–Fe alloys which were aged at 500 °C for 0.5 h after homogenizing treatment. B, C and Si atoms segregation at grain boundary in Alloy 690 was observed. B, C, N and P atoms segregation at grain boundary in 304 austenitic stainless steel was observed. C atoms co-segregation with Cr atoms at the grain boundaries both in Alloy 690 and 304 austenitic stainless steel was found, and its effect on the carbide nucleation was discussed. The amount of each segregated element at grain boundaries in the two Ni–Cr–Fe alloys were analyzed quantitatively. Comparison of the grain boundary segregation features of the two Ni–Cr–Fe alloys were carried out based on the experimental results.

Complementary AES and AEM of grain boundary regions in irradiated γ'-strengthened alloys

International Nuclear Information System (INIS)

Farrell, K.; Kishimoto, N.; Clausing, R.E.; Heatherly, L.; Lehman, G.L.

1986-01-01

Two microchemical analysis techniques are used to measure solute segregation at grain boundaries in two γ'-strengthened, fcc Fe-Ni-Cr alloys that display radiation-induced intergranular fracture. Scanning Auger electron spectroscopy (AES) of grain boundary fracture surfaces and analytical electron microscopy (AEM) of intact grain boundaries using energy-dispersive x-ray spectroscopy show good agreement on the nature and extent of segregation. The elements Ni, Si, Ti, and Mo are found to accumulate in G, Laves and γ' phases on the grain boundaries. Segregation of P is detected by AES. The complementary features of the two analytical techniques are discussed briefly

Algorithm based on regional separation for automatic grain boundary extraction using improved mean shift method

Science.gov (United States)

Zhenying, Xu; Jiandong, Zhu; Qi, Zhang; Yamba, Philip

2018-06-01

Metallographic microscopy shows that the vast majority of metal materials are composed of many small grains; the grain size of a metal is important for determining the tensile strength, toughness, plasticity, and other mechanical properties. In order to quantitatively evaluate grain size in metals, grain boundaries must be identified in metallographic images. Based on the phenomenon of grain boundary blurring or disconnection in metallographic images, this study develops an algorithm based on regional separation for automatically extracting grain boundaries by an improved mean shift method. Experimental observation shows that the grain boundaries obtained by the proposed algorithm are highly complete and accurate. This research has practical value because the proposed algorithm is suitable for grain boundary extraction from most metallographic images.

Effect of grain boundary structures on the behavior of He defects in Ni: An atomistic study

Institute of Scientific and Technical Information of China (English)

H F Gong; Y Yan; X S Zhang; W Lv; T Liu; Q S Ren

2017-01-01

We investigated the effect of grain boundary structures on the trapping strength of HeN (N is the number of helium atoms) defects in the grain boundaries of nickel.The results suggest that the binding energy of an interstitial helium atom to the grain boundary plane is the strongest among all sites around the plane.The HeN defect is much more stable in nickel bulk than in the grain boundary plane.Besides,the binding energy of an interstitial helium atom to a vacancy is stronger than that to a grain boundary plane.The binding strength between the grain boundary and the HeN defect increases with the defect size.Moreover,the binding strength of the HeN defect to the Σ3 (1 12)[110] grain boundary becomes much weaker than that to other grain boundaries as the defect size increases.

Misorientation related microstructure at the grain boundary in a nickel-based single crystal superalloy

International Nuclear Information System (INIS)

Huang, Ming; Zhuo, Longchao; Liu, Zhanli; Lu, Xiaogang; Shi, Zhenxue; Li, Jiarong; Zhu, Jing

2015-01-01

The mechanical properties of nickel-based single crystal superalloys deteriorate with increasing misorientation, thus the finished product rate of the casting of single crystal turbine airfoils may be reduced due to the formation of grain boundaries especially when the misorientation angle exceeds to some extent. To this day, evolution of the microstructures at the grain boundaries with misorientation and the relationship between the microstructures and the mechanical properties are still unclear. In this work a detailed characterization of the misorientation related microstructure at the grain boundary in DD6 single crystal superalloy has been carried out using scanning electron microscopy (SEM) and transmission electron microscopy (TEM) techniques; the elemental distribution at the grain boundaries has been analyzed by energy dispersive (EDS) X-ray mapping; and the effect of precipitation of μ phases at the grain boundary on the mechanical property has been evaluated by finite element calculation. It is shown that the proportion of γ phase at the grain boundaries decreases, while the proportion of γ′ phase at the grain boundaries increases with increasing misorientation; the μ phase is precipitated at the grain boundaries when the misorientation angle exceeds about 10° and thus it could lead to a dramatic deterioration of the mechanical properties, as well as that the enrichment of Re and W gradually disappears as the misorientation angle increases. All these factors may result in the degradation of the mechanical properties at the grain boundaries as the misorientation increases. Furthermore, the finite element calculation confirms that precipitation of μ phases at the grain boundary is responsible for the significant deterioration of the mechanical properties when the misorientation exceeds about 10°. This work provides a physical imaging of the microstructure for understanding the relationship between the mechanical properties and the misorientation

Dislocation analysis of die-cast Mg-Al-Ca alloy after creep deformation

International Nuclear Information System (INIS)

Terada, Yoshihiro; Itoh, Daigo; Sato, Tatsuo

2009-01-01

Tensile creep tests were combined with detailed transmission electron microscopy in order to characterize the dislocation movements during creep and to explain the creep properties of the Mg-Al-Ca AX52 die-cast alloy at 473 K and stresses from 15 to 70 MPa. TEM observations indicate that dislocations are generated within the primary α-Mg grain in the die-casting process, which consist of both the basal and non-basal segments. The basal segments of dislocations are able to bow out and glide on the basal planes under the influence of a stress, and the jogs follow the basal segments with the help of climb during creep. The creep mechanism for the alloy is deduced as dislocation climb due to the formation of sub-boundaries during creep, while the easy glide of the basal segments of dislocations is controlling the creep rates immediately after the stress application of creep tests.

Dislocation mediated alignment during metal nanoparticle coalescence

International Nuclear Information System (INIS)

Lange, A.P.; Samanta, A.; Majidi, H.; Mahajan, S.; Ging, J.; Olson, T.Y.; Benthem, K. van; Elhadj, S.

2016-01-01

Dislocation mediated alignment processes during gold nanoparticle coalescence were studied at low and high temperatures using molecular dynamics simulations and transmission electron microscopy. Particles underwent rigid body rotations immediately following attachment in both low temperature (500 K) simulated coalescence events and low temperature (∼315 K) transmission electron microscopy beam heating experiments. In many low temperature simulations, some degree of misorientation between particles remained after rigid body rotations, which was accommodated by grain boundary dislocation nodes. These dislocations were either sessile and remained at the interface for the duration of the simulation or dissociated and cross-slipped through the adjacent particles, leading to improved co-alignment. Minimal rigid body rotations were observed during or immediately following attachment in high temperature (1100 K) simulations, which is attributed to enhanced diffusion at the particles' interface. However, rotation was eventually induced by {111} slip on planes parallel to the neck groove. These deformation modes led to the formation of single and multi-fold twins whose structures depended on the initial orientation of the particles. The driving force for {111} slip is attributed to high surface stresses near the intersection of low energy {111} facets in the neck region. The details of this twinning process were examined in detail using simulated trajectories, and the results reveal possible mechanisms for the nucleation and propagation of Shockley partials on consecutive planes. Deformation twinning was also observed in-situ using transmission electron microscopy, which resulted in the co-alignment of a set of the particles' {111} planes across their grain boundary and an increase in their dihedral angle. This constitutes the first detailed experimental observation of deformation twinning during nanoparticle coalescence, validating simulation results presented here and

A creep rupture model accounting for cavitation at sliding grain boundaries

NARCIS (Netherlands)

Giessen, Erik van der; Tvergaard, Viggo

1991-01-01

An axisymmetric cell model analysis is used to study creep failure by grain boundary cavitation at facets normal to the maximum principal tensile stress, taking into account the influence of cavitation and sliding at adjacent inclined grain boundaries. It is found that the interaction between the

Combined measurement of surface, grain boundary and lattice diffusion coefficients on olivine bi-crystals

Science.gov (United States)

Marquardt, Katharina; Dohmen, Ralf; Wagner, Johannes

2014-05-01

Diffusion along interface and grain boundaries provides an efficient pathway and may control chemical transport in rocks as well as their mechanical strength. Besides the significant relevance of these diffusion processes for various geologic processes, experimental data are still very limited (e.g., Dohmen & Milke, 2010). Most of these data were measured using polycrystalline materials and the formalism of LeClaire (1951) to fit integrated concentration depth profiles. To correctly apply this formalism, certain boundary conditions of the diffusion problem need to be fulfilled, e.g., surface diffusion is ignored, and furthermore the lattice diffusion coefficient has to be known from other studies or is an additional fitting parameter, which produces some ambiguity in the derived grain boundary diffusion coefficients. We developed an experimental setup where we can measure the lattice and grain boundary diffusion coefficients simultaneously but independent and demonstrate the relevance of surface diffusion for typical grain boundary diffusion experiments. We performed Mg2SiO4 bicrystal diffusion experiments, where a single grain boundary is covered by a thin-film of pure Ni2SiO4 acting as diffusant source, produced by pulsed laser deposition. The investigated grain boundary is a 60° (011)/[100]. This specific grain boundary configuration was modeled using molecular dynamics for comparison with the experimental observations in the transmission electron microscope (TEM). Both, experiment and model are in good agreement regarding the misorientation, whereas there are still some disagreements regarding the strain fields along the grain boundary that are of outmost importance for the strengths of the material. The subsequent diffusion experiments were carried out in the temperature range between 800° and 1450° C. The inter diffusion profiles were measured using the TEMs energy dispersive x-ray spectrometer standardized using the Cliff-Lorimer equation and EMPA

Ultra-low-angle boundary networks within recrystallizing grains

DEFF Research Database (Denmark)

Ahl, Sonja Rosenlund; Simons, Hugh; Zhang, Yubin

2017-01-01

We present direct evidence of a network of well-defined ultra-low-angle boundaries in bulk recrystallizing grains of 99.5% pure aluminium (AA1050) by means of a new, three-dimensional X-ray mapping technique; dark-field X-ray microscopy. These boundaries separate lattice orientation differences o...

Determination of grain boundary mobility during recrystallization by statistical evaluation of electron backscatter diffraction measurements

International Nuclear Information System (INIS)

Basu, I.; Chen, M.; Loeck, M.; Al-Samman, T.; Molodov, D.A.

2016-01-01

One of the key aspects influencing microstructural design pathways in metallic systems is grain boundary motion. The present work introduces a method by means of which direct measurement of grain boundary mobility vs. misorientation dependence is made possible. The technique utilizes datasets acquired by means of serial electron backscatter diffraction (EBSD) measurements. The experimental EBSD measurements are collectively analyzed, whereby datasets were used to obtain grain boundary mobility and grain aspect ratio with respect to grain boundary misorientation. The proposed method is further validated using cellular automata (CA) simulations. Single crystal aluminium was cold rolled and scratched in order to nucleate random orientations. Subsequent annealing at 300 °C resulted in grains growing, in the direction normal to the scratch, into a single deformed orientation. Growth selection was observed, wherein the boundaries with misorientations close to Σ7 CSL orientation relationship (38° 〈111〉) migrated considerably faster. The obtained boundary mobility distribution exhibited a non-monotonic behavior with a maximum corresponding to misorientation of 38° ± 2° about 〈111〉 axes ± 4°, which was 10–100 times higher than the mobility values of random high angle boundaries. Correlation with the grain aspect ratio values indicated a strong growth anisotropy displayed by the fast growing grains. The observations have been discussed in terms of the influence of grain boundary character on grain boundary motion during recrystallization. - Highlights: • Statistical microstructure method to measure grain boundary mobility during recrystallization • Method implementation independent of material or crystal structure • Mobility of the Σ7 boundaries in 5N Al was calculated as 4.7 × 10"–"8 m"4/J ⋅ s. • Pronounced growth selection in the recrystallizing nuclei in Al • Boundary mobility values during recrystallization 2–3 orders of magnitude

The influence of the grain boundary strength on the macroscopic properties of a polycrystalline aggregate

International Nuclear Information System (INIS)

Simonovski, Igor; Cizelj, Leon; Garrido, Oriol Costa

2013-01-01

Highlights: ► Grain boundary stiffness should be at least 1.5× higher that the stiffness of bulk grains. ► The ratio δ n pl /δ n el should be at least 400. ► Simultaneous increase of δ n el and δ n pl at constant grain boundary strength increases numerical stability but results in high percentage of damage grain boundary area. ► Shear contributes significantly to damage initialization. -- Abstract: In this work a model, based on a X-ray diffraction contrast tomography data of a stainless steel wire with a diameter of 0.4 mm is presented. As measured 3D grain geometry and crystallographic orientation of individual grains are directly transferred into a finite element model. Anisotropic elasticity and crystal plasticity constitutive laws are used for the bulk grain material while the grain boundaries are explicitly modeled using the cohesive zone approach. A parametric study on the effects of the grain boundary strength and other cohesive zone parameters on the macroscopic response and damaged grain boundary area of a polycrystalline aggregate is presented. Recommendations for the cohesive zone parameters values aimed at achieving low damaged grain boundary area during numerical tensile tests are given while at the same time taking into account the numerical stability of the simulations

Electron scattering at surfaces and grain boundaries in thin Au films

International Nuclear Information System (INIS)

Henriquez, Ricardo; Flores, Marcos; Moraga, Luis; Kremer, German; González-Fuentes, Claudio; Munoz, Raul C.

2013-01-01

The electron scattering at surfaces and grain boundaries is investigated using polycrystalline Au films deposited onto mica substrates. We vary the three length scales associated with: (i) electron scattering in the bulk, that at temperature T is characterized by the electronic mean free path in the bulk ℓ 0 (T); (ii) electron-surface scattering, that is characterized by the film thickness t; (iii) electron-grain boundary scattering, that is characterized by the mean grain diameter D. We varied independently the film thickness from approximately 50 nm to about 100 nm, and the typical grain size making up the samples from 12 nm to 160 nm. We also varied the scale of length associated with electron scattering in the bulk by measuring the resistivity of each specimen at temperatures T, 4 K 0 (T) by approximately 2 orders of magnitude. Detailed measurements of the grain size distribution as well as surface roughness of each sample were performed with a Scanning Tunnelling Microscope (STM). We compare, for the first time, theoretical predictions with resistivity data employing the two theories available that incorporate the effect of both electron-surface as well as electron-grain boundary scattering acting simultaneously: the theory of A.F. Mayadas and M. Shatzkes, Phys. Rev. 1 1382 (1970) (MS), and that of G. Palasantzas, Phys. Rev. B 58 9685 (1998). We eliminate adjustable parameters from the resistivity data analysis, by using as input the grain size distribution as well as the surface roughness measured with the STM on each sample. The outcome is that both theories provide a fair representation of both the temperature as well as the thickness dependence of the resistivity data, but yet there are marked differences between the resistivity predicted by these theories. In the case of the MS theory, when the average grain diameter D is significantly smaller than ℓ 0 (300) = 37 nm, the electron mean free path in the bulk at 300 K, the effect of electron-grain

Grain-Boundary Resistance in Copper Interconnects: From an Atomistic Model to a Neural Network

Science.gov (United States)

Valencia, Daniel; Wilson, Evan; Jiang, Zhengping; Valencia-Zapata, Gustavo A.; Wang, Kuang-Chung; Klimeck, Gerhard; Povolotskyi, Michael

2018-04-01

Orientation effects on the specific resistance of copper grain boundaries are studied systematically with two different atomistic tight-binding methods. A methodology is developed to model the specific resistance of grain boundaries in the ballistic limit using the embedded atom model, tight- binding methods, and nonequilibrium Green's functions. The methodology is validated against first-principles calculations for thin films with a single coincident grain boundary, with 6.4% deviation in the specific resistance. A statistical ensemble of 600 large, random structures with grains is studied. For structures with three grains, it is found that the distribution of specific resistances is close to normal. Finally, a compact model for grain-boundary-specific resistance is constructed based on a neural network.

Grain Boundary Engineering the Mechanical Properties of Allvac 718Plus(Trademark) Superalloy

Science.gov (United States)

Gabb, Timothy P.; Telesman, Jack; Garg, Anita; Lin, Peter; Provenzano, virgil; Heard, Robert; Miller, Herbert M.

2010-01-01

Grain Boundary Engineering can enhance the population of structurally-ordered "low S" Coincidence Site Lattice (CSL) grain boundaries in the microstructure. In some alloys, these "special" grain boundaries have been reported to improve overall resistance to corrosion, oxidation, and creep resistance. Such improvements could be quite beneficial for superalloys, especially in conditions which encourage damage and cracking at grain boundaries. Therefore, the effects of GBE processing on high-temperature mechanical properties of the cast and wrought superalloy Allvac 718Plus (Allvac ATI) were screened. Bar sections were subjected to varied GBE processing, and then consistently heat treated, machined, and tested at 650 C. Creep, tensile stress relaxation, and dwell fatigue crack growth tests were performed. The influences of GBE processing on microstructure, mechanical properties, and associated failure modes are discussed.

Electrical characterization of grain boundaries of CZTS thin films using conductive atomic force microscopy techniques

Energy Technology Data Exchange (ETDEWEB)

Muhunthan, N.; Singh, Om Pal [Compound Semiconductor Solar Cell, Physics of Energy Harvesting Division, New Delhi 110012 (India); Toutam, Vijaykumar, E-mail: toutamvk@nplindia.org [Quantum Phenomena and Applications Division, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi 110012 (India); Singh, V.N., E-mail: singhvn@nplindia.org [Compound Semiconductor Solar Cell, Physics of Energy Harvesting Division, New Delhi 110012 (India)

2015-10-15

Graphical abstract: Experimental setup for conducting AFM (C-AFM). - Highlights: • Cu{sub 2}ZnSnS{sub 4} (CZTS) thin film was grown by reactive co-sputtering. • The electronic properties were probed using conducting atomic force microscope, scanning Kelvin probe microscopy and scanning capacitance microscopy. • C-AFM current flow mainly through grain boundaries rather than grain interiors. • SKPM indicated higher potential along the GBs compared to grain interiors. • The SCM explains that charge separation takes place at the interface of grain and grain boundary. - Abstract: Electrical characterization of grain boundaries (GB) of Cu-deficient CZTS (Copper Zinc Tin Sulfide) thin films was done using atomic force microscopic (AFM) techniques like Conductive atomic force microscopy (CAFM), Kelvin probe force microscopy (KPFM) and scanning capacitance microscopy (SCM). Absorbance spectroscopy was done for optical band gap calculations and Raman, XRD and EDS for structural and compositional characterization. Hall measurements were done for estimation of carrier mobility. CAFM and KPFM measurements showed that the currents flow mainly through grain boundaries (GB) rather than grain interiors. SCM results showed that charge separation mainly occurs at the interface of grain and grain boundaries and not all along the grain boundaries.

High dislocation density of tin induced by electric current

International Nuclear Information System (INIS)

Liao, Yi-Han; Liang, Chien-Lung; Lin, Kwang-Lung; Wu, Albert T.

2015-01-01

A dislocation density of as high as 10 17 /m 2 in a tin strip, as revealed by high resolution transmission electron microscope, was induced by current stressing at 6.5 x 10 3 A/ cm 2 . The dislocations exist in terms of dislocation line, dislocation loop, and dislocation aggregates. Electron Backscattered Diffraction images reflect that the high dislocation density induced the formation of low deflection angle subgrains, high deflection angle Widmanstätten grains, and recrystallization. The recrystallization gave rise to grain refining

An Analysis of Hole Trapping at Grain Boundary or Poly-Si Floating-Body MOSFET.

Science.gov (United States)

Jang, Taejin; Baek, Myung-Hyun; Kim, Hyungjin; Park, Byung-Gook

2018-09-01

In this paper, we demonstrate the characteristics of the floating body effect of poly-silicon with grain boundary by SENTAURUS™ TCAD simulation. As drain voltage increases, impact ionization occurs at the drain-channel junction. And these holes created by impact ionization are deposited on the bottom of the body to change the threshold voltage. This feature, the kink effect, is also observed in fully depleted silicon on insulator because grain boundary of the poly-silicon serve as a storage to trap the holes. We simulate the transfer curve depending on the density and position of the grain boundary. The trap density of the grain boundary affects the device characteristics significantly. However similar properties appear except where the grain boundary is located on the drain side.

Molecular dynamics study of grain boundary diffusion of hydrogen in tungsten

International Nuclear Information System (INIS)

Von Toussaint, U; Gori, S; Manhard, A; Höschen, T; Höschen, C

2011-01-01

Understanding the influence of the microstructure of tungsten on hydrogen transport is crucial for the use of tungsten as first-wall material in fusion reactors. Here, we report the results of molecular dynamics and transition state studies on the influence of grain boundaries in tungsten on the transport of hydrogen. An exhaustive mapping of possible minimum activation energy migration trajectories for hydrogen as the trace impurity reveals a strongly modified activation energy distribution in the neighborhood of grain boundaries together with an altered connectivity matrix. The results indicate that grain boundaries in polycrystalline tungsten may provide an important transport channel, especially for neutron-damaged tungsten.

Dislocation mechanism of void growth at twin boundary of nanotwinned nickel based on molecular dynamics simulation

International Nuclear Information System (INIS)

Zhang, Yanqiu; Jiang, Shuyong; Zhu, Xiaoming; Zhao, Yanan

2016-01-01

Molecular dynamics simulation was performed to investigate dislocation mechanism of void growth at twin boundary (TB) of nanotwinned nickel. Simulation results show that the deformation of nanotwinned nickel containing a void at TB is dominated by the slip involving both leading and trailing partials, where the trailing partials are the dissociation products of stair-rod dislocations formed by the leading partials. The growth of a void at TB is attributed to the successive emission of the leading partials followed by trailing partials as well as the escape of these partial dislocations from the void surface. - Highlights: • Dislocation mechanism of void growth at TB of nanotwinned nickel is investigated. • Deformation of the nanotwinned nickel is dominated by leading and trailing partials. • Growth of void at TB is caused by successive emission and escape of these partials.

Relationship Between Bake Hardening, Snoek-Köster and Dislocation-Enhanced Snoek Peaks in Coarse Grained Low Carbon Steel

Directory of Open Access Journals (Sweden)

Li Weijuan

2016-09-01

Full Text Available In the present work, specimens prepared from coarse grained low carbon steel with different prestrains were baked and then, their bake hardening (BH property and internal friction were determined. TEM was used to characterize the dislocation structure in BH treated samples. The measurements of internal friction in prestrained samples and baked samples were carried out using a multifunctional internal friction apparatus. The results indicate that, in coarse grained low carbon steel, the bake hardening properties (BH values were negative, which were increased by increasing the prestrain from 2 to 5%, and then were decreased by increasing the prestrain from 5 to 10%. In the specimen with prestrain 5%, the BH value reached the maximum value and the height of Snoek-Köster peak was observed to be the maximum alike. With increasing the prestrain, both of the BH value and Snoek-Köster peak heights are similarly varied. It is concluded that Snoek-Köster and dislocation-enhanced Snoek peaks, caused by the interactions between interstitial solute carbon atoms and dislocations, can be used in further development of the bake hardening steels.

Grain boundary cavity growth under applied stress and internal pressure

International Nuclear Information System (INIS)

Mancuso, J.F.

1977-08-01

The growth of grain boundary cavities under applied stress and internal gas pressure was investigated. Methane gas filled cavities were produced by the C + 4H reversible CH4 reaction in the grain boundaries of type 270 nickel by hydrogen charging in an autoclave at 500 0 C with a hydrogen pressure of either 3.4 or 14.5 MPa. Intergranular fracture of nickel was achieved at a charging temperature of 300 0 C and 10.3 MPa hydrogen pressure. Cavities on the grain boundaries were observed in the scanning electron microscope after fracture. Photomicrographs of the cavities were produced in stereo pairs which were analyzed so as to correct for perspective distortion and also to determine the orientational dependence of cavity growth under an applied tensile stress

Reconstruction of 3d grain boundaries from rock thin sections, using polarised light

Science.gov (United States)

Markus Hammes, Daniel; Peternell, Mark

2016-04-01

Grain boundaries affect the physical and chemical properties of polycrystalline materials significantly by initiating reactions and collecting impurities (Birchenall, 1959), and play an essential role in recrystallization (Doherty et al. 1997). In particular, the shape and crystallographic orientation of grain boundaries reveal the deformation and annealing history of rocks (Kruhl and Peternell 2002, Kuntcheva et al. 2006). However, there is a lack of non-destructive and easy-to-use computer supported methods to determine grain boundary geometries in 3D. The only available instrument using optical light to measure grain boundary angles is still the polarising microscope with attached universal stage; operated manually and time-consuming in use. Here we present a new approach to determine 3d grain boundary orientations from 2D rock thin sections. The data is recorded by using an automatic fabric analyser microscope (Peternell et al., 2010). Due to its unique arrangement of 9 light directions the highest birefringence colour due to each light direction and crystal orientation (retardation) can be determined at each pixel in the field of view. Retardation profiles across grain boundaries enable the calculation of grain boundary angle and direction. The data for all positions separating the grains are combined and further processed. In combination with the lateral position of the grain boundary, acquired using the FAME software (Hammes and Peternell, in review), the data is used to reconstruct a 3d grain boundary model. The processing of data is almost fully automatic by using MATLAB®. Only minor manual input is required. The applicability was demonstrated on quartzite samples, but the method is not solely restricted on quartz grains and other birefringent polycrystalline materials could be used instead. References: Birchenall, C.E., 1959: Physical Metallurgy. McGraw-Hill, New York. Doherty, R.D., Hughes, D.A., Humphreys, F.J., Jonas, J.J., Juul Jensen, D., Kassner, M

Modeling of stresses at grain boundaries with respect to occurrence of stress corrosion cracking

Energy Technology Data Exchange (ETDEWEB)

Kozaczek, K.J. [Oak Ridge National Lab., TN (United States); Sinharoy, A.; Ruud, C.O. [Pennsylvania State Univ., University Park, PA (United States); McIlree, A.R. [Electric Power Research Institute, Palo Alto, CA (United States)

1995-12-31

The distributions of elastic stresses/strains in the grain boundary regions were studied by the analytical and the finite element models. The grain boundaries represent the sites where stress concentration occurs as a result of discontinuity of elastic properties across the grain boundary and the presence of second phase particles elastically different from the surrounding matrix grains. A quantitative analysis of those stresses for steels and nickel based alloys showed that the stress concentrations in the grain boundary regions are high enough to cause a local microplastic deformation even when the material is in the macroscopic elastic regime. The stress redistribution as a result of such a plastic deformation was discussed.

SILICON CARBIDE GRAIN BOUNDARY DISTRIBUTIONS, IRRADIATION CONDITIONS, AND SILVER RETENTION IN IRRADIATED AGR-1 TRISO FUEL PARTICLES

Energy Technology Data Exchange (ETDEWEB)

Lillo, T. M.; Rooyen, I. J.; Aguiar, J. A.

2016-11-01

Precession electron diffraction in the transmission electron microscope was used to map grain orientation and ultimately determine grain boundary misorientation angle distributions, relative fractions of grain boundary types (random high angle, low angle or coincident site lattice (CSL)-related boundaries) and the distributions of CSL-related grain boundaries in the SiC layer of irradiated TRISO-coated fuel particles. Two particles from the AGR-1 experiment exhibiting high Ag-110m retention (>80%) were compared to a particle exhibiting low Ag-110m retention (<19%). Irradiated particles with high Ag-110m retention exhibited a lower fraction of random, high angle grain boundaries compared to the low Ag-110m retention particle. An inverse relationship between the random, high angle grain boundary fraction and Ag-110m retention is found and is consistent with grain boundary percolation theory. Also, comparison of the grain boundary distributions with previously reported unirradiated grain boundary distributions, based on SEM-based EBSD for similarly fabricated particles, showed only small differences, i.e. a greater low angle grain boundary fraction in unirradiated SiC. It was, thus, concluded that SiC layers with grain boundary distributions susceptible to Ag-110m release were present prior to irradiation. Finally, irradiation parameters were found to have little effect on the association of fission product precipitates with specific grain boundary types.

Simulations of boundary migration during recrystallization using molecular dynamics

DEFF Research Database (Denmark)

Godiksen, Rasmus Brauner; Trautt, Z.T.; Upmanyu, M.

2007-01-01

process is not uniform as assumed in many recrystallization models, but that the grain boundaries migrate in an irregular fashion and exhibit a strong dependence on the local presence of dislocations, which can distort the local migration process significantly. (c) 2007 Acta Materialia Inc. Published...

The influence of the grain boundary strength on the macroscopic properties of a polycrystalline aggregate

Energy Technology Data Exchange (ETDEWEB)

Simonovski, Igor, E-mail: Igor.Simonovski@ec.europa.eu [European Commission, DG-JRC, Institute for Energy and Transport, P.O. Box 2, NL-1755 ZG Petten (Netherlands); Cizelj, Leon, E-mail: Leon.Cizelj@ijs.si [Jožef Stefan Institute, Reactor Engineering Division, Jamova Cesta 39, SI-1000 Ljubljana (Slovenia); Garrido, Oriol Costa, E-mail: Oriol.Costa@ijs.si [Jožef Stefan Institute, Reactor Engineering Division, Jamova Cesta 39, SI-1000 Ljubljana (Slovenia)

2013-08-15

Highlights: ► Grain boundary stiffness should be at least 1.5× higher that the stiffness of bulk grains. ► The ratio δ{sub n}{sup pl}/δ{sub n}{sup el} should be at least 400. ► Simultaneous increase of δ{sub n}{sup el} and δ{sub n}{sup pl} at constant grain boundary strength increases numerical stability but results in high percentage of damage grain boundary area. ► Shear contributes significantly to damage initialization. -- Abstract: In this work a model, based on a X-ray diffraction contrast tomography data of a stainless steel wire with a diameter of 0.4 mm is presented. As measured 3D grain geometry and crystallographic orientation of individual grains are directly transferred into a finite element model. Anisotropic elasticity and crystal plasticity constitutive laws are used for the bulk grain material while the grain boundaries are explicitly modeled using the cohesive zone approach. A parametric study on the effects of the grain boundary strength and other cohesive zone parameters on the macroscopic response and damaged grain boundary area of a polycrystalline aggregate is presented. Recommendations for the cohesive zone parameters values aimed at achieving low damaged grain boundary area during numerical tensile tests are given while at the same time taking into account the numerical stability of the simulations.

On the grain boundary hardening in a B-bearing 304 austenitic stainless steel

International Nuclear Information System (INIS)

Yao, X.X.

1999-01-01

The precipitates, (Cr,Fe) 23 (C,B) 6 carbides and (Cr,Fe) 2 B borides, formed along the grain boundaries in a 304 austenitic stainless steel containing boron of 33 ppm after solution treatment at 1100 C for 1 h followed by isothermal ageing for 0.5 h at temperatures ranging from 750 to 1050 C have been identified. The influence of these precipitates on the grain boundary hardening has been investigated by means of micro-Vickers hardness measurements. It is found that the degree of grain boundary hardening below 900 C decreases, while it increases above 900 C with increasing ageing temperature. The dissolution of (Cr,Fe) 23 (C,B) 6 carbides and the precipitation of (Cr,Fe) 2 B borides are associated with the changes of grain boundary hardening in this B-bearing 304 austenitic stainless steel between 750 and 1100 C. The non-equilibrium boron segregation enhances the grain boundary hardening when the ageing temperature is above 900 C. (orig.)

Microstructure evolution and grain refinement of Ti-6Al-4V alloy by laser shock processing

Energy Technology Data Exchange (ETDEWEB)

Ren, X.D., E-mail: renxd@mail.ujs.edu.cn [Department of Mechanical Engineering, Jiangsu University, Zhenjiang, 212013 (China); Research Center of Fluid Machinery Engineering and Technical, Jiangsu University, Zhenjiang, 212013 (China); Zhou, W.F.; Liu, F.F.; Ren, Y.P. [Department of Mechanical Engineering, Jiangsu University, Zhenjiang, 212013 (China); Yuan, S.Q. [Research Center of Fluid Machinery Engineering and Technical, Jiangsu University, Zhenjiang, 212013 (China); Ren, N.F.; Xu, S.D.; Yang, T. [Department of Mechanical Engineering, Jiangsu University, Zhenjiang, 212013 (China)

2016-02-15

Graphical abstract: The grain refinement process of Ti-6Al-4V alloy under LSP: (a) LDD in original grains; (b) Dislocations in β phase; (c) DTIs in α phase; (d) DTs transform into DCs; (e) DWs develop into sub-GBs; (f) GR accomplishes. - Highlights: • LSP could repair the surface defects and reduce the surface roughness. • Microstructure evolution of α phase in Ti-6Al-4V alloy processed by LSP is distinct from β phase. • Multidirectional twin intersections and subgrain boundaries are the main mechanism of grain refinement of Ti-6Al-4V alloy. • Grain refinement process of the Ti-6Al-4V alloy was illustrated. - Abstract: Microstructure evolution and grain refinement of Ti-6Al-4V alloy after laser shock processing (LSP) are systematically investigated in this paper. Laser shock waves were induced by a Q-switched Nd:YAG laser system operated with a wave-length of 1064 nm and 10 ns pulse width. The microstructures of LSP samples were characterized by scanning electron microscopy (SEM) and transmission electron microscope (TEM). Present results indicate that the surface hardness of samples subjected to LSP impacts has significantly improved. Multidirectional twin intersections and dislocation movements lead to grain subdivision in α phase with ultra-high plastic deformation. High-density dislocations are found in β phase. Multidirectional twin intersections and division of sub-grain boundaries play an important role in the grain refinement of Ti-6Al-4V alloy under LSP loading conditions.

Electron scattering at surfaces and grain boundaries in thin Au films

Energy Technology Data Exchange (ETDEWEB)

Henriquez, Ricardo [Departamento de Física, Universidad Técnica Federico Santa María, Av. España 1680, Casilla 110-V, Valparaíso (Chile); Flores, Marcos; Moraga, Luis [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Blanco Encalada 2008, Casilla 487-3, Santiago 8370449 (Chile); Kremer, German [Bachillerato, Universidad de Chile, Las Palmeras 3425, Santiago 7800024 (Chile); González-Fuentes, Claudio [Departamento de Física, Universidad Técnica Federico Santa María, Av. España 1680, Casilla 110-V, Valparaíso (Chile); Munoz, Raul C., E-mail: ramunoz@ing.uchile.cl [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Blanco Encalada 2008, Casilla 487-3, Santiago 8370449 (Chile)

2013-05-15

The electron scattering at surfaces and grain boundaries is investigated using polycrystalline Au films deposited onto mica substrates. We vary the three length scales associated with: (i) electron scattering in the bulk, that at temperature T is characterized by the electronic mean free path in the bulk ℓ{sub 0}(T); (ii) electron-surface scattering, that is characterized by the film thickness t; (iii) electron-grain boundary scattering, that is characterized by the mean grain diameter D. We varied independently the film thickness from approximately 50 nm to about 100 nm, and the typical grain size making up the samples from 12 nm to 160 nm. We also varied the scale of length associated with electron scattering in the bulk by measuring the resistivity of each specimen at temperatures T, 4 K < T < 300 K. Cooling the samples to 4 K increases ℓ{sub 0}(T) by approximately 2 orders of magnitude. Detailed measurements of the grain size distribution as well as surface roughness of each sample were performed with a Scanning Tunnelling Microscope (STM). We compare, for the first time, theoretical predictions with resistivity data employing the two theories available that incorporate the effect of both electron-surface as well as electron-grain boundary scattering acting simultaneously: the theory of A.F. Mayadas and M. Shatzkes, Phys. Rev. 1 1382 (1970) (MS), and that of G. Palasantzas, Phys. Rev. B 58 9685 (1998). We eliminate adjustable parameters from the resistivity data analysis, by using as input the grain size distribution as well as the surface roughness measured with the STM on each sample. The outcome is that both theories provide a fair representation of both the temperature as well as the thickness dependence of the resistivity data, but yet there are marked differences between the resistivity predicted by these theories. In the case of the MS theory, when the average grain diameter D is significantly smaller than ℓ{sub 0}(300) = 37 nm, the electron mean

Precession electron diffraction for SiC grain boundary characterization in unirradiated TRISO fuel

International Nuclear Information System (INIS)

Lillo, T.M.; Rooyen, I.J. van; Wu, Y.Q.

2016-01-01

Highlights: • SiC grain orientation determined by TEM-based precession electron diffraction. • Orientation data improved with increasing TEM sample thickness. • Fraction of low angle grain boundaries lower from PED data than EBSD data. • Fractions of high angle and CSL-related boundaries similar to EBSD data. - Abstract: Precession electron diffraction (PED), a transmission electron microscopy-based technique, has been evaluated for the suitability for evaluating grain boundary character in the SiC layer of tristructural isotropic (TRISO) fuel. This work reports the effect of transmission electron microscope (TEM) lamella thickness on the quality of data and establishes a baseline comparison to SiC grain boundary characteristics, in an unirradiated TRISO particle, determined previously using a conventional electron backscatter diffraction (EBSD) scanning electron microscope (SEM)-based technique. In general, it was determined that the lamella thickness produced using the standard focused ion beam (FIB) fabrication process (∼80 nm), is sufficient to provide reliable PED measurements, although thicker lamellae (∼120 nm) were found to produce higher quality orientation data. Also, analysis of SiC grain boundary character from the TEM-based PED data showed a much lower fraction of low-angle grain boundaries compared to SEM-based EBSD data from the SiC layer of a TRISO-coated particle made using the same fabrication parameters and a SiC layer deposited at a slightly lower temperature from a surrogate TRISO particle. However, the fractions of high-angle and coincident site lattice (CSL)-related grain boundaries determined by PED are similar to those found using SEM-based EBSD. Since the grain size of the SiC layer of TRSIO fuel can be as small as 250 nm (Kirchhofer et al., 2013), depending on the fabrication parameters, and since grain boundary fission product precipitates in irradiated TRISO fuel can be nano-sized, the TEM-based PED orientation data

On the room temperature microstrain of vanadium of different grain size

International Nuclear Information System (INIS)

Timm, J.; Guttmann, V.

1977-01-01

The present work deals with the plastic behaviour of polycrystalline vanadium from the onset of plastic deformation to the upper yield point. The stress-strain relation was found to be omega approximately epsilonsub(p)sup(1/2). The influence of the grain size on stress followed a omega approximately d -1 relationship. The initial yield stress was independent of grain size. By means of optical and electron microscopy it was found, that the first dislocation movement starts at grain boundaries. (orig.) [de

Grain boundary effects in nanocrystalline diamond

Czech Academy of Sciences Publication Activity Database

Mareš, Jiří J.; Hubík, Pavel; Krištofik, Jozef; Nesládek, Miloš

2008-01-01

Roč. 205, č. 9 (2008), 2163-2168 ISSN 1862-6300 R&D Projects: GA ČR(CZ) GA202/06/0040 Institutional research plan: CEZ:AV0Z10100521 Keywords : diamond film * grain boundary * superconductivity * noise * ballistic transport Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.205, year: 2008

Formation of intra-island grain boundaries in pentacene monolayers.

Science.gov (United States)

Zhang, Jian; Wu, Yu; Duhm, Steffen; Rabe, Jürgen P; Rudolf, Petra; Koch, Norbert

2011-12-21

To assess the formation of intra-island grain boundaries during the early stages of pentacene film growth, we studied sub-monolayers of pentacene on pristine silicon oxide and silicon oxide with high pinning centre density (induced by UV/O(3) treatment). We investigated the influence of the kinetic energy of the impinging molecules on the sub-monolayer growth by comparing organic molecular beam deposition (OMBD) and supersonic molecular beam deposition (SuMBD). For pentacene films fabricated by OMBD, higher pentacene island-density and higher polycrystalline island density were observed on UV/O(3)-treated silicon oxide as compared to pristine silicon oxide. Pentacene films deposited by SuMBD exhibited about one order of magnitude lower island- and polycrystalline island densities compared to OMBD, on both types of substrates. Our results suggest that polycrystalline growth of single islands on amorphous silicon oxide is facilitated by structural/chemical surface pinning centres, which act as nucleation centres for multiple grain formation in a single island. Furthermore, the overall lower intra-island grain boundary density in pentacene films fabricated by SuMBD reduces the number of charge carrier trapping sites specific to grain boundaries and should thus help achieving higher charge carrier mobilities, which are advantageous for their use in organic thin-film transistors.

Thermal stability of grain boundaries in nanocrystalline Zn studied by positron lifetime spectroscopy

International Nuclear Information System (INIS)

Zhou Kai; Li Hui; Pang Jinbiao; Wang Zhu

2012-01-01

Nanocrystalline Zn prepared by compacting nanoparticles with mean grain size about 55 nm at 15 MPa has been studied by positron lifetime spectroscopy. For the bulk Zn sample, the vacancy defect is annealed out at about 350 °C, but for the nanocrystalline Zn sample, the vacancy cluster in grain boundaries is quite difficult to be annealed out even at very high temperature (410 °C). In the grain boundaries of nanocrystalline Zn, the small free volume defect (not larger than divacancy) is dominant according to the high relative intensity for the short positron lifetime (τ 1 ). The oxide (ZnO) inside the grain boundaries has been found having an effect to hinder the decrease of average positron lifetime (τ av ), which probably indicates that the oxide stabilizes the microstructure of the grain boundaries. This stabilization is very important for the nanocrystalline materials using as radiation resistant materials.

Testing thermal gradient driving force for grain boundary migration using molecular dynamics simulations

International Nuclear Information System (INIS)

Bai, Xian-Ming; Zhang, Yongfeng; Tonks, Michael R.

2015-01-01

Strong thermal gradients in low-thermal-conductivity ceramics may drive extended defects, such as grain boundaries and voids, to migrate in preferential directions. In this work, molecular dynamics simulations are conducted to study thermal gradient driven grain boundary migration and to verify a previously proposed thermal gradient driving force equation, using uranium dioxide as a model system. It is found that a thermal gradient drives grain boundaries to migrate up the gradient and the migration velocity increases under a constant gradient owing to the increase in mobility with temperature. Different grain boundaries migrate at very different rates due to their different intrinsic mobilities. The extracted mobilities from the thermal gradient driven simulations are compared with those calculated from two other well-established methods and good agreement between the three different methods is found, demonstrating that the theoretical equation of the thermal gradient driving force is valid, although a correction of one input parameter should be made. The discrepancy in the grain boundary mobilities between modeling and experiments is also discussed.

Applied thermodynamics: Grain boundary segregation

Czech Academy of Sciences Publication Activity Database

Lejček, Pavel; Zheng, L.; Hofmann, S.; Šob, Mojmír

2014-01-01

Roč. 16, č. 3 (2014), s. 1462-1484 ISSN 1099-4300 R&D Projects: GA ČR(CZ) GAP108/12/0311; GA ČR GAP108/12/0144; GA MŠk(CZ) ED1.1.00/02.0068 Institutional support: RVO:68378271 ; RVO:68081723 Keywords : interfacial segregation * Gibbs energy of segregation * enthalpy * entropy * volume * grain boundaries * iron Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.502, year: 2014

Present state of the controversy about the grain boundary relaxation

International Nuclear Information System (INIS)

Povolo, F.; Molinas, B.J.

1990-04-01

An analysis of the internal friction produced by grain boundary relaxation in metals, alloys and ceramics is presented. The different interpretations given in the literature to relaxation phenomena occurring at temperatures above about half the melting point which include the influence of grain boundaries and their interaction with solutes and precipitates are discussed in detail. A complete set of the experimental data disposable in this field since 1972 until today is reviewed. Finally, some recent experiments are discussed and new ones are suggested. They might solve the actual controversy about the real origin of the relaxation phenomena observed. If this is the case, a considerable amount of information already published can be taken into account with a good degree of confidence. This information contributes to the description of the structure and behaviour of grain boundaries, both being important topics for materials science. (author). 119 refs, 21 figs, 1 tab

Coercivity degradation caused by inhomogeneous grain boundaries in sintered Nd-Fe-B permanent magnets

Science.gov (United States)

Chen, Hansheng; Yun, Fan; Qu, Jiangtao; Li, Yingfei; Cheng, Zhenxiang; Fang, Ruhao; Ye, Zhixiao; Ringer, Simon P.; Zheng, Rongkun

2018-05-01

Quantitative correlation between intrinsic coercivity and grain boundaries in three dimensions is critical to further improve the performance of sintered Nd-Fe-B permanent magnets. Here, we quantitatively reveal the local composition variation across and especially along grain boundaries using the powerful atomic-scale analysis technique known as atom probe tomography. We also estimate the saturation magnetization, magnetocrystalline anisotropy constant, and exchange stiffness of the grain boundaries on the basis of the experimentally determined structure and composition. Finally, using micromagnetic simulations, we quantify the intrinsic coercivity degradation caused by inhomogeneous grain boundaries. This approach can be applied to other magnetic materials for the analysis and optimization of magnetic properties.

An improved procedure for determining grain boundary diffusion coefficients from averaged concentration profiles

Science.gov (United States)

Gryaznov, D.; Fleig, J.; Maier, J.

2008-03-01

Whipple's solution of the problem of grain boundary diffusion and Le Claire's relation, which is often used to determine grain boundary diffusion coefficients, are examined for a broad range of ratios of grain boundary to bulk diffusivities Δ and diffusion times t. Different reasons leading to errors in determining the grain boundary diffusivity (DGB) when using Le Claire's relation are discussed. It is shown that nonlinearities of the diffusion profiles in lnCav-y6/5 plots and deviations from "Le Claire's constant" (-0.78) are the major error sources (Cav=averaged concentration, y =coordinate in diffusion direction). An improved relation (replacing Le Claire's constant) is suggested for analyzing diffusion profiles particularly suited for small diffusion lengths (short times) as often required in diffusion experiments on nanocrystalline materials.

Non-equilibrium grain boundary segregation of boron in austenitic stainless steel - IV. Precipitation behaviour and distribution of elements at grain boundaries

International Nuclear Information System (INIS)

Karlsson, L.; Norden, H.

1988-01-01

The distribution of elements and the precipitation behaviour at grain boundaries have been studied in boron containing AISI 316L and ''Mo-free AISI 316L'' type austenitic stainless steels. A combination of microanalytical techniques was used to study the boundary regions after cooling at 0.29-530 0 C/s from 800, 1075 or 1250 0 C. Tetragonal M/sub 2/B, M/sub 5/B/sub 3/ and M/sub 3/B/sub 2/, all rich in Fe, Cr and Mo, precipitated in the ''high B'' (40 ppm) AISI 316L steel whereas orthorhombic M/sub 2/B, rich in Cr and Fe was found in the ''Mo-free steel'' with 23 ppm B. In the ''high B steel'' a thin (<2nm), continuous layer, containing B, Cr, Mo and Fe and having a stoichiometry of typically M/sub 9/B, formed at boundaries after cooling at intermediate cooling rates. For both types of steels a boundary zone was found, after all heat treatments, with a composition differing significantly from the bulk composition. The differences were most marked after cooling at intermediate cooling rates. In both types of steel boundary depletion of Cr and enrichment of B and C occurred. It was found that non-equilibrium grain boundary segregation of boron can affect the precipitation behaviour by making the boundary composition enter a new phase field ''Non-equilibrium phases'' might also form. The synergistic effect of B and Mo on the boundary composition and precipitation behaviour, and the observed indications of C non-equilibrium segregation are discussed

Study of nanophase TiO2 grain boundaries by Raman spectroscopy

International Nuclear Information System (INIS)

Melendres, C.A.; Narayanasamy, A.; Maroni, V.A.; Siegel, R.W.

1989-01-01

Raman spectra have been recorded for as-consolidated nanophase TiO 2 samples with differing grain sizes and on samples annealed in air at a variety of temperatures up to 1273 K. The nanophase samples with the smallest grain size, about 12 nm average diameter, could have 15-30% of their atoms in grain boundaries; nevertheless, the strong Raman-active lines representative of the rutile structure were found to dominate all of the observed spectra, independent of grain size and annealing treatment. These lines were quite broad in the as-consolidated nanophase samples, equally in 12 nm and 100 nm grain-size compacts, but sharpened considerably upon annealing at elevated temperatures. The Raman data give no indication of grain-boundary structures in nanophase TiO 2 that are significantly different from those in conventional polycrystals. However, defect structures within the grains, which anneal out at elevated temperatures, are evidenced by changes in the Raman spectra. 15 refs., 2 figs

Defect and grain boundary scattering in tungsten: A combined theoretical and experimental study

Science.gov (United States)

Lanzillo, Nicholas A.; Dixit, Hemant; Milosevic, Erik; Niu, Chengyu; Carr, Adra V.; Oldiges, Phil; Raymond, Mark V.; Cho, Jin; Standaert, Theodorus E.; Kamineni, Vimal K.

2018-04-01

Several major electron scattering mechanisms in tungsten (W) are evaluated using a combination of first-principles density functional theory, a Non-Equilibrium Green's Function formalism, and thin film Kelvin 4-point sheet resistance measurements. The impact of grain boundary scattering is found to be roughly an order of magnitude larger than the impact of defect scattering. Ab initio simulations predict average grain boundary reflection coefficients for a number of twin grain boundaries to lie in the range r = 0.47 to r = 0.62, while experimental data can be fit to the empirical Mayadas-Schatzkes model with a comparable but slightly larger value of r = 0.69. The experimental and simulation data for grain boundary resistivity as a function of grain size show excellent agreement. These results provide crucial insights for understanding the impact of scaling of W-based contacts between active devices and back-end-of-line interconnects in next-generation semiconductor technology.

The diffusional growth of a grain boundary crack

International Nuclear Information System (INIS)

Puls, M.P.; Dutton, R.

1977-10-01

This report considers the possibility of high temperature rupture occurring by a grain boundary diffusional mechanism. It is assumed that a pre-existing, intergranular crack grows by loss of atoms from the crack tip to the grain boundary. Rupture occurs when the crack has grown to a critical length. A theoretical treatment of the kinetics of crack growth is presented and equations are derived for the crack velocity and time to rupture. A comparison is made with a previous theoretical model developed by Charles, together with rupture data obtained experimentally for the nickel-based alloy, Nimonic 80A. We conclude that experimental verification of the theoretical models requires a comparison with crack velocity data rather than time to rupture data. (author)

Adsorption of metal atoms at a buckled graphene grain boundary using model potentials

International Nuclear Information System (INIS)

Helgee, Edit E.; Isacsson, Andreas

2016-01-01

Two model potentials have been evaluated with regard to their ability to model adsorption of single metal atoms on a buckled graphene grain boundary. One of the potentials is a Lennard-Jones potential parametrized for gold and carbon, while the other is a bond-order potential parametrized for the interaction between carbon and platinum. Metals are expected to adsorb more strongly to grain boundaries than to pristine graphene due to their enhanced adsorption at point defects resembling those that constitute the grain boundary. Of the two potentials considered here, only the bond-order potential reproduces this behavior and predicts the energy of the adsorbate to be about 0.8 eV lower at the grain boundary than on pristine graphene. The Lennard-Jones potential predicts no significant difference in energy between adsorbates at the boundary and on pristine graphene. These results indicate that the Lennard-Jones potential is not suitable for studies of metal adsorption on defects in graphene, and that bond-order potentials are preferable

Deformation mechanism study of a hot rolled Zr-2.5Nb alloy by transmission electron microscopy. I. Dislocation microstructures in as-received state and at different plastic strains

Energy Technology Data Exchange (ETDEWEB)

Long, Fei; Daymond, Mark R., E-mail: mark.daymond@queensu.ca; Yao, Zhongwen [Department of Mechanical and Materials Engineering, Queen' s University Kingston, Ontario K7L 3N6 (Canada)

2015-03-07

Thin foil dog bone samples prepared from a hot rolled Zr-2.5Nb alloy have been deformed by tensile deformation to different plastic strains. The development of slip traces during loading was observed in situ through SEM, revealing that deformation starts preferentially in certain sets of grains during the elastic-plastic transition region. TEM characterization showed that sub-grain boundaries formed during hot rolling consisted of screw 〈a〉 dislocations or screw 〈c〉 and 〈a〉 dislocations. Prismatic 〈a〉 dislocations with large screw or edge components have been identified from the sample with 0.5% plastic strain. Basal 〈a〉 and pyramidal 〈c + a〉 dislocations were found in the sample that had been deformed with 1.5% plastic strain, implying that these dislocations require larger stresses to be activated.

Grain boundary structures in La2/3Ca1/3MnO3 thin films

International Nuclear Information System (INIS)

Miller, D. J.; Lin, Y.-K.; Vlasko-Vlasov, V.; Welp, U.

1999-01-01

As with many other oxide-based compounds that exhibit electronic behavior, structural defects have a strong influence on the electronic properties of the CMR manganites. In this work, the authors have studied the effect of grain boundaries on the transport properties and on the local orientation of magnetization. Thin films of the perovskite-related La 2/3 Ca 1/3 MnO 3 compound were deposited onto bicrystal substrates using pulsed laser deposition. Transport measurements showed some enhancement of magnetoresistance across the grain boundary. The structure of the boundary was evaluated by electron microscopy. In contrast with the highly meandering boundaries typically observed in bicrystals of high temperature superconductors, the boundaries in these films are relatively straight and well defined. However, magneto-optical imaging showed that the local magnetization was oriented out of the plane at the grain boundary while it was oriented within the plane in the grains on either side. This coordinated reorientation of local magnetization near the grain boundary leads to enhanced magnetoresistance across the boundary in low fields

Automatic kinetic Monte-Carlo modeling for impurity atom diffusion in grain boundary structure of tungsten material

Directory of Open Access Journals (Sweden)

Atsushi M. Ito

2017-08-01

Full Text Available The diffusion process of hydrogen and helium in plasma-facing material depends on the grain boundary structures. Whether a grain boundary accelerates or limits the diffusion speed of these impurity atoms is not well understood. In the present work, we proposed the automatic modeling of a kinetic Monte-Carlo (KMC simulation to treat an asymmetric grain boundary structure that corresponds to target samples used in fusion material experiments for retention and permeation. In this method, local minimum energy sites and migration paths for impurity atoms in the grain boundary structure are automatically found using localized molecular dynamics. The grain boundary structure was generated with the Voronoi diagram. Consequently, we demonstrate that the KMC simulation for the diffusion process of impurity atoms in the generated grain boundary structure of tungsten material can be performed.

Microstructure and nanoindentation of the CLAM steel with nanocrystalline grains under Xe irradiation

Energy Technology Data Exchange (ETDEWEB)

Chang, Yongqin, E-mail: chang@ustb.edu.cn; Zhang, Jing; Li, Xiaolin; Guo, Qiang; Wan, Farong; Long, Yi

2014-12-15

This work presents an early look at irradiation effects on China low activation martensitic (CLAM) steel with nanocrystalline grains (NC-CLAM steels) under 500 keV Xe-ion bombardment at room temperature to doses up to 5.3 displacements per atom (dpa). The microstructure in the topmost region of the steel is composed of nanocrystalline grains with an average diameter of 13 nm. As the samples were implanted at low dose, the nanocrystalline grains had martensite lath structure, and many dislocations and high density bubbles were introduced into the NC-CLAM steels. As the irradiation dose up to 5.3 dpa, a tangled dislocation network exists in the lath region, and the size of the bubbles increases. X-ray diffraction results show that the crystal quality decreases after irradiation, although the nanocrystals obviously coarsen. Grain growth under irradiation may be ascribed to the direct impact of the thermal spike on grain boundaries in the NC-CLAM steels. In irradiated samples, a compressive stress exists in the surface layer because of grain growth and irradiation-introduced defects, while the irradiation introduced grain-size coarsening and defects gradients from the surface to matrix result in a tensile stress in the irradiated NC-CLAM steels. Nanoindentation was used to estimate changes in mechanical properties during irradiation, and the results show that the hardness of the NC-CLAM steels increases with increasing irradiation dose, which was ascribed to the competition between the grain boundaries and the irradiation-introduced defects.

Microstructural influence on low-temperature superplasticity of ultrafine-grained Ti-6Al-4V alloy

International Nuclear Information System (INIS)

Ko, Young Gun; Kim, Woo Gyeom; Lee, Chong Soo; Shin, Dong Hyuk

2005-01-01

Microstructural influence on low-temperature superplastic behavior of ultrafine-grained Ti-6Al-4V alloy fabricated by equal channel angular pressing (ECAP) was investigated. The deformed structures were analyzed with the increment of strain by transmission electron microscopy. Also, a series of tensile tests were carried out on ultrafine-grained (UFG) samples to measure elongation at temperature of 973 K and at strain rates of 10 -4 to 10 -2 s -1 . The results indicated that elongation was significantly increased with increasing ECAP straining from 4 to 8 revealing more high-angle grain boundaries. Deformation mechanisms for UFG structure were analyzed in the context of inelastic deformation theory, which consisted of dislocation glide and grain boundary sliding

Grain boundary layer behavior in ZnO/Si heterostructure

International Nuclear Information System (INIS)

Liu Bingce; Liu Cihui; Yi Bo

2010-01-01

The grain boundary layer behavior in ZnO/Si heterostucture is investigated. The current-voltage (I-V) curves, deep level transient spectra (DLTS) and capacitance-voltage (C-V) curves are measured. The transport currents of ZnO/Si heterojunction are dominated by grain boundary layer as high densities of interfacial states existed. The interesting phenomenon that the crossing of In I-V curves of ZnO/Si heterojunction at various measurement temperatures and the decrease of its effective barrier height with the decrement of temperature are in contradiction with the ideal heterojunction thermal emission model is observed. The details will be discussed in the following. (semiconductor physics)

Atom Probe Tomography of Phase and Grain Boundaries in Experimentally-Deformed and Hot-Pressed Wehrlite

Science.gov (United States)

Cukjati, J.; Parman, S. W.; Cooper, R. F.; Zhao, N.

2017-12-01

Atom probe tomography (APT) was used to characterize the chemistry of three grain boundaries: an olivine-olivine (ol-ol) and olivine-clinopyroxene (ol-cpx) boundary in fine-grained experimentally-deformed wehrlite and an ol-cpx boundary in a fine-grained, hot-pressed wehrlite. Grain boundaries were extracted and formed into APT tips using a focused ion beam (FIB). The tips were analyzed in a reflectron-equipped LEAP4000HR (Harvard University) at 1% or 0.5% detection rate, 5pJ laser energy and 100kHz pulse rate. Total ion counts are between 40 and 100 million per tip. Examination of grain and phase boundaries in wehrlite are of interest since slow-diffusing and olivine-incompatible cations present in cpx (e.g. Ca and Al) may control diffusion-accommodated grain boundary sliding and affect mantle rheology (Sundberg & Cooper, 2008). At steady state, ol-cpx aggregates are weaker than either ol or cpx end member, the results of which are not currently well-explained. We investigate grain boundary widths to understand the transport of olivine-incompatible elements. Widths of grain/phase boundary chemical segregation are between 3nm and 6nm for deformed ol-ol and ol-cpx samples; minimally-deformed (hot-pressed) samples having slightly wider chemical segregation widths. Chemical segregation widths were determined from profiles of Na, Al, P, Cl, K, Ca, or Ni, although not all listed elements can be used for all samples (e.g. Na, K segregation profiles can only be observed for ol-ol sample). These estimates are consistent with prior estimates of grain boundary segregation by atom probe tomography on ol-ol and opx-opx samples (Bachhav et al., 2015) and are less than ol-ol interface widths analyzed by STEM/EDX (Hiraga, Anderson, & Kohlstedt, 2007). STEM/EDX will be performed on deformed wehrlite to investigate chemical profile as a function of applied stress orientation and at length scales between those observable by APT and EPMA. Determination of phase boundary chemistry and

On the search for experimentally observed grain boundary phase transitions

International Nuclear Information System (INIS)

Balluffi, R.W.; Hsieh, T.E.

1987-07-01

The phase space for a heterogeneous system containing a grain boundary involves a relatively large number of variables (i.e., at least six plus the number of components), and it is therefore conceptually possible to induce a large variety of grain boundary phase transitions by selectively varying these parameters. Despite this, a review of the literature reveals that there have been virtually no clear-cut experimental observations of transitions reported in which the boundary structure has been observed as a function of time under well defined conditions. In current work, we are searching for roughening/faceting transitions and melting transitions for boundaries in Al by hot stage transmission electron microscopy. A clear example of a reversible roughening/faceting transition has been found. No evidence for melting has been found for temperatures as high as 0.96 T/sub m/ (by monitoring GBD core delocalization in several special boundaries with Σ ≤ 13) or 0.999 T/sub m/ (by observing the local diffraction contrast at general boundaries in polycrystalline specimens)

Estimation of grain boundary diffusivity in near-α titanium polycrystals

International Nuclear Information System (INIS)

Brockman, Robert A.; Pilchak, Adam L.; John Porter, W.; John, Reji

2011-01-01

The role of enhanced grain boundary diffusivity in high-temperature diffusion of interstitial elements through metals is widely recognized but poorly characterized in most materials. This paper summarizes an effort to estimate grain boundary diffusivity of oxygen in a near-α titanium alloy, Ti-6Al-2Sn-4Zr-2Mo-0.1Si, by explicitly incorporating microstructure obtained from electron backscatter diffraction into an analytical model. Attention is focused on near-surface diffusion behavior contributing to the rapid ingress of oxygen and possible crack initiation in high-temperature environments.

Investigation and optimization of YBa2Cu3O7-δ grain boundaries and coated conductors

International Nuclear Information System (INIS)

Held, Rainer Robert Martin

2010-01-01

With increasing misorientation angle grain boundaries strongly reduce the critical current density of high temperature superconductors. For this reason costly techniques are used in production of modern Coated Conductors to induce sharp textures in the polycrystalline superconductor layers. In this dissertation measurements of the critical current density of different grain boundary types are presented showing that out-of-plane grain boundaries exhibit, also in applied magnetic fields, much higher critical current densities than expected. In further analysis of the grain boundaries indications for a microstructural reason of the high critical current densities were found. The high critical current densities of the out-of-plane grain boundaries should in fabrication of Coated Conductors allow for a relaxation of the out-of-plane grain alignment requirements and a concomitant cost reduction. In this work also results of a industrial cooperation with Nexans are presented demonstrating that the critical current density of metal-organic deposited grain boundaries and Coated Conductor layers can be increased by selective Calcium-doping. In the experiments selective Calcium-doping most effectively increased the critical current density of weak spots. (orig.)

On the orientation dependent grain boundary migration in an Fe-6at.%Si alloy

International Nuclear Information System (INIS)

Lejcek, P.; Adamek, J.

1995-01-01

The [100]symmetrical tilt grain boundaries in an Fe-6at.%Si alloy were found to exhibit as pronounced anisotropy of activation enthalpy of migration characterized by its high values for special boundaries as compared to general ones. This rather surprising posing three main contributions to the migration enthalpy: intrinsic migration enthalpy, migration enthalpy resulting from grain boundary segregation, and migration enthalpy resulting from alloy mixing. It is shown that the differences in migration enthalpy of special and general grain boundaries in a concentrated alloy reflect the prevailing character of the intrinsic migration enthalpy over the weakened segregation effects. (orig.)

Development of low angle grain boundaries in lightly deformed superconducting niobium and their influence on hydride distribution and flux perturbation

Science.gov (United States)

Sung, Z.-H.; Wang, M.; Polyanskii, A. A.; Santosh, C.; Balachandran, S.; Compton, C.; Larbalestier, D. C.; Bieler, T. R.; Lee, P. J.

2017-05-01

This study shows that low angle grain boundaries (LAGBs) can be created by small 5% strains in high purity (residual resistivity ratio ≥ 200) superconducting radio frequency (SRF)-grade single crystalline niobium (Nb) and that these boundaries act as hydrogen traps as indicated by the distribution of niobium hydrides (Nb1-xHx). Nb1-xHx is detrimental to SRF Nb cavities due to its normal conducting properties at cavity operating temperatures. By designing a single crystal tensile sample extracted from a large grain (>5 cm) Nb ingot slice for preferred slip on one slip plane, LAGBs and dense dislocation boundaries developed. With chemical surface treatments following standard SRF cavity fabrication practice, Nb1-xHx phases were densely precipitated at the LAGBs upon cryogenic cooling (8-10 K/min). Micro-crystallographic analysis confirmed heterogeneous hydride precipitation, which included significant hydrogen atom accumulation in LAGBs. Magneto-optical imaging analysis showed that these sites can then act as sites for both premature flux penetration and eventually flux trapping. However, this hydrogen related degradation at LAGBs did not completely disappear even after an 800 °C/2 h anneal typically used for hydrogen removal in SRF Nb cavities. These findings suggest that hydride precipitation at an LAGB is facilitated by a non-equilibrium concentration of vacancy-hydrogen (H) complexes aided by mechanical deformation and the hydride phase interferes with the recovery process under 800 °C annealing.

Monte Carlo simulations of segregation at [001] twist boundaries in a Pt(Au) alloy-II

International Nuclear Information System (INIS)

Seki, A.; Seidman, D.N.; Oh, Y.

1991-01-01

This paper reports on a three dimensional plot of the density of Au atoms versus the position which coordinates for the (002) planes, immediately adjacent to the interface, for a θ = 5 degrees [001] twist boundary, suggests the presence of a hill-and-valley structure in the Au segregation behavior at 850 K. The valleys correspond to the regions of good atomic fit between the regions of misfit; the hills correspond to the cores of the pairs of orthogonal primary grain boundary dislocations. A model for the Monte Carlo simulations is developed that leads to a linear expression for S aver containing a core segregation factor (S core ). For this model S core a single Arrhenius plot and the Gibbs free binding energy of a Au atom to the cores of the primary grain boundary dislocations extracted; the binding enthalpy and entropy of segregation are 0.095 ±0.01 eV and K B (0.49 ± 0.19) respectively

Thermally activated phase slippage in high- T sub c grain-boundary Josephson junctions

Energy Technology Data Exchange (ETDEWEB)

Gross, R.; Chaudhari, P.; Dimos, D.; Gupta, A.; Koren, G. (IBM Thomas J. Watson Research Center, P.O. Box 218, Yorktown Heights, New York 10598 (USA))

1990-01-08

The effect of thermally activated phase slippage (TAPS) in YBa{sub 2}Cu{sub 3}O{sub 7} grain-boundary Josephson junctions has been studied. TAPS has been found to be responsible for the dc noise voltage superimposed on the dc Josephson current near the transition temperature. Because of the reduced Josephson coupling energy of the grain-boundary junctions, which is caused by a reduced superconducting order parameter at the grain-boundary interface, TAPS is present over a considerable temperature range. The implications of TAPS on the applicability of high-{ital T}{sub {ital c}} Josephson junctions are outlined.

A phase-field simulation study of irregular grain boundary migration during recrystallization

DEFF Research Database (Denmark)

Moelans, N.; Zhang, Yubin; Godfrey, A.

2015-01-01

We present simulation results based on a phase-field model that describes the migration of recrystallization boundaries into spatially varying deformation energy fields. Energy fields with 2-dimensional variations representing 2 sets of dislocation boundaries lying at equal, but opposite, angles......, highly asymmetrical protrusions and retrusions can develop on the migrating recrystallization front resulting in a migration velocity considerably larger than that expected from standard recrystallization models. It is also seen that, when the wavelength of the variations in a deformation microstructure...

Oxygen diffusion in nanocrystalline yttria-stabilized zirconia: the effect of grain boundaries.

Science.gov (United States)

De Souza, Roger A; Pietrowski, Martha J; Anselmi-Tamburini, Umberto; Kim, Sangtae; Munir, Zuhair A; Martin, Manfred

2008-04-21

The transport of oxygen in dense samples of yttria-stabilized zirconia (YSZ), of average grain size d approximately 50 nm, has been studied by means of 18O/16O exchange annealing and secondary ion mass spectrometry (SIMS). Oxygen diffusion coefficients (D*) and oxygen surface exchange coefficients (k*) were measured for temperatures 673grain boundaries. Rather, the analysis indicates that grain boundaries hinder oxygen transport.

Grain-boundary effects on the magnetoresistance properties of perovskite manganite films

International Nuclear Information System (INIS)

Gupta, A.; Gong, G.Q.; Xiao, G.; Duncombe, P.R.; Lecoeur, P.; Trouilloud, P.; Wang, Y.Y.; Dravid, V.P.; Sun, J.Z.

1996-01-01

The role of grain boundaries in the magnetoresistance (MR) properties of the manganites has been investigated by comparing the properties of epitaxial and polycrystalline films of La 0.67 D 0.33 MnO 3-δ (D=Ca,Sr, or vacancies). While the MR in the epitaxial films is strongly peaked near the ferromagnetic transition temperature and is very small at low temperatures, the polycrystalline films show large MR over a wide temperature range down to 5 K. The results are explained in terms of switching of magnetic domains in the grains and disorder-induced canting of Mn spins in the grain-boundary region. copyright 1996 The American Physical Society

Effects of pre-creep on the dislocations of 316LN Austenite stainless steel

Science.gov (United States)

Pei, Hai-xiang; Hui, Jun; Hua, Hou; Feng, Zai-xin; Xu, Xiao-long

2017-09-01

The 316LN Austenite stainless steels (316LNASS) were pre-creep treated, the evolution of microstructure were investigated. The samples were pre-creep at 593 K and from 500 to 2000 h at 873 K with a stress in the range of 20 to 150 MPa, Then the evolution of microstructure and precipitation were investigated by optical microscope (OM), and transmission electron microscope (TEM). The results show that the crystal surface slipping resulted in dislocations and original dislocations decomposition during the pre-creep process, and generate quadrilateral or hexagonal dislocation network was obviously. The sub-grain boundary gradually became narrow with the increasing of pre-creep treatment time and temperature. When the pre-creep temperature was 593 K and 873 K, dislocation network gradually disappear with the increasing of pre-creep time and load. When the pre-creep temperature was 873 K under 120 MPa, and the treatment time was 2000 h, the hexagonal dislocation network (HDN) would completely disappeared. When the pre-creep temperature was 593 K under 20 MPa, and the treatment time was 500 h, the quadrilateral dislocation network (QDN) would completely disappeared.

Numerical study of the atomic and electronic structure of some silicon grain boundaries

International Nuclear Information System (INIS)

Torrent, M.

1996-01-01

This work contributes to the theoretical study of extended defects in covalent materials. The study is especially devoted to the tilt grain boundaries in silicon as a model material. The theoretical model is based on the self-consistent tight-binding approximation and is applied within two numerical techniques: the fast 'order N' density-matrix method and the diagonalization technique which allows the sampling of the reciprocal space. Total energy parameters of the model have been fitted in order to reproduce the silicon band structure (with a correct gap value) and the transferability of crystalline and mechanical properties of this material. A new type of boundary conditions is proposed and tested. These conditions, named 'ante-periodic' or 'Moebius', allow only one grain boundary per box instead of two and decrease the CPU time by a factor of two. The model is then applied to the study of the Σ=25 [001] (710) grain boundary. The results show the possible presence in this boundary of low energy non-reconstructed atomic structures which are electrically active. This confirms what had been suggested by some experimental observations. The same study is also performed for the Σ=13 [001] (510) grain boundary. In order to compare the intrinsic electrical activity in the previous grain boundaries with the one induced by impurities, a total energy parametrization for the silicon-nickel bond is achieved and used in preliminary calculations. Finally the two variants of the Σ=11 [011] (2-33) interface are studied, especially their respective interfacial energies. The result disagrees with previous calculations using phenomenological potentials. (author)

Importance of low-angle grain boundaries in YBa2Cu3O7-δ coated conductors

International Nuclear Information System (INIS)

Durrell, J H; Rutter, N A

2009-01-01

Over the past ten years the perception of grain boundaries in YBa 2 Cu 3 O 7-δ conductors has changed greatly. They are now not a problem to be eliminated, but an inevitable and potentially favourable part of the material. This change has arisen as a consequence of new manufacturing techniques which result in excellent grain alignment, reducing the spread of grain boundary misorientation angles. At the same time there is considerable recent evidence which indicates that the variation of properties of grain boundaries with mismatch angle is more complex than a simple exponential decrease in critical current. This is due to the fact that low-angle grain boundaries represent a qualitatively different system to high-angle boundaries. The time is therefore right for a targeted review of research into low-angle YBa 2 Cu 3 O 7-δ grain boundaries. This article does not purport to be a comprehensive review of the physics of grain boundaries as found in YBa 2 Cu 3 O 7-δ in general; for a broader overview we would recommend that the reader consult the comprehensive review of Hilgenkamp and Mannhart (2002 Rev. Mod. Phys. 74 485). The purpose of this article is to review the origin and properties of the low-angle grain boundaries found in YBa 2 Cu 3 O 7-δ coated conductors both individually and as a collective system. (topical review)

Crystallographic fatigue crack growth in a polycrystal: simulations based on FEM and discrete dislocation dynamics

International Nuclear Information System (INIS)

Bertolino, G.; Sauzay, M.; Bertolino, G.; Doquet, V.

2003-01-01

An attempt to model the variability of short cracks development in high-cycle fatigue is made by coupling finite element calculations of the stresses ahead of a microcrack in a polycrystal with simulations of crack growth along slip planes based on discrete dislocations dynamics. The model predicts a large scatter in growth rates related to the roughness of the crack path. It also describes the influence of the mean grain size and the fact that overloads may suppress the endurance limit by allowing arrested cracks to cross the grain boundaries. (authors)

Effect of grain boundary microcracks on crack resistance of annealed tungsten

International Nuclear Information System (INIS)

Babak, A.V.; Uskov, E.I.

1984-01-01

Effect of grain boundary microcracks in tungsten, produced by the method of powder sintering, on its crack resistance after annealing at T=2200 deg C, has been considered. On the basis of complex physncomechanical study of tungsten crack resistance it is shown, that the value of ultimate tensile stress does not depend on temperature. The presence of grain boundary cracks in such material (in the limits from 2 to 8%) does not produce effect on its crack resistance

Statistical model for grain boundary and grain volume oxidation kinetics in UO2 spent fuel

International Nuclear Information System (INIS)

Stout, R.B.; Shaw, H.F.; Einziger, R.E.

1989-09-01

This paper addresses statistical characteristics for the simplest case of grain boundary/grain volume oxidation kinetics of UO 2 to U 3 O 7 for a fragment of a spent fuel pellet. It also presents a limited discussion of future extensions to this simple case to represent the more complex cases of oxidation kinetics in spent fuels. 17 refs., 1 fig

Nanocompositional Electron Microscopic Analysis and Role of Grain Boundary Phase of Isotropically Oriented Nd-Fe-B Magnets

Directory of Open Access Journals (Sweden)

Gregor A. Zickler

2017-01-01

Full Text Available Nanoanalytical TEM characterization in combination with finite element micromagnetic modelling clarifies the impact of the grain misalignment and grain boundary nanocomposition on the coercive field and gives guidelines how to improve coercivity in Nd-Fe-B based magnets. The nanoprobe electron energy loss spectroscopy measurements obtained an asymmetric composition profile of the Fe-content across the grain boundary phase in isotropically oriented melt-spun magnets and showed an enrichment of iron up to 60 at% in the Nd-containing grain boundaries close to Nd2Fe14B grain surfaces parallel to the c-axis and a reduced iron content up to 35% close to grain surfaces perpendicular to the c-axis. The numerical micromagnetic simulations on isotropically oriented magnets using realistic model structures from the TEM results reveal a complex magnetization reversal starting at the grain boundary phase and show that the coercive field increases compared to directly coupled grains with no grain boundary phase independently of the grain boundary thickness. This behaviour is contrary to the one in aligned anisotropic magnets, where the coercive field decreases compared to directly coupled grains with an increasing grain boundary thickness, if Js value is > 0.2 T, and the magnetization reversal and expansion of reversed magnetic domains primarily start as Bloch domain wall at grain boundaries at the prismatic planes parallel to the c-axis and secondly as Néel domain wall at the basal planes perpendicular to the c-axis. In summary our study shows an increase of coercive field in isotropically oriented Nd-Fe-B magnets for GB layer thickness > 5 nm and an average Js value of the GB layer < 0.8 T compared to the magnet with perfectly aligned grains.

Mapping grain boundary heterogeneity at the nanoscale in a positive temperature coefficient of resistivity ceramic

Science.gov (United States)

Holsgrove, Kristina M.; Kepaptsoglou, Demie M.; Douglas, Alan M.; Ramasse, Quentin M.; Prestat, Eric; Haigh, Sarah J.; Ward, Michael B.; Kumar, Amit; Gregg, J. Marty; Arredondo, Miryam

2017-06-01

Despite being of wide commercial use in devices, the orders of magnitude increase in resistance that can be seen in some semiconducting BaTiO3-based ceramics, on heating through the Curie temperature (TC), is far from well understood. Current understanding of the behavior hinges on the role of grain boundary resistance that can be modified by polarization discontinuities which develop in the ferroelectric state. However, direct nanoscale resistance mapping to verify this model has rarely been attempted, and the potential approach to engineer polarization states at the grain boundaries, that could lead to optimized positive temperature coefficient (PTC) behavior, is strongly underdeveloped. Here we present direct visualization and nanoscale mapping in a commercially optimized BaTiO3-PbTiO3-CaTiO3 PTC ceramic using Kelvin probe force microscopy, which shows that, even in the low resistance ferroelectric state, the potential drop at grain boundaries is significantly greater than in grain interiors. Aberration-corrected scanning transmission electron microscopy and electron energy loss spectroscopy reveal new evidence of Pb-rich grain boundaries symptomatic of a higher net polarization normal to the grain boundaries compared to the purer grain interiors. These results validate the critical link between optimized PTC performance and higher local polarization at grain boundaries in this specific ceramic system and suggest a novel route towards engineering devices where an interface layer of higher spontaneous polarization could lead to enhanced PTC functionality.

Mapping grain boundary heterogeneity at the nanoscale in a positive temperature coefficient of resistivity ceramic

Directory of Open Access Journals (Sweden)

Kristina M. Holsgrove

2017-06-01

Full Text Available Despite being of wide commercial use in devices, the orders of magnitude increase in resistance that can be seen in some semiconducting BaTiO3-based ceramics, on heating through the Curie temperature (TC, is far from well understood. Current understanding of the behavior hinges on the role of grain boundary resistance that can be modified by polarization discontinuities which develop in the ferroelectric state. However, direct nanoscale resistance mapping to verify this model has rarely been attempted, and the potential approach to engineer polarization states at the grain boundaries, that could lead to optimized positive temperature coefficient (PTC behavior, is strongly underdeveloped. Here we present direct visualization and nanoscale mapping in a commercially optimized BaTiO3–PbTiO3–CaTiO3 PTC ceramic using Kelvin probe force microscopy, which shows that, even in the low resistance ferroelectric state, the potential drop at grain boundaries is significantly greater than in grain interiors. Aberration-corrected scanning transmission electron microscopy and electron energy loss spectroscopy reveal new evidence of Pb-rich grain boundaries symptomatic of a higher net polarization normal to the grain boundaries compared to the purer grain interiors. These results validate the critical link between optimized PTC performance and higher local polarization at grain boundaries in this specific ceramic system and suggest a novel route towards engineering devices where an interface layer of higher spontaneous polarization could lead to enhanced PTC functionality.

Plasticity mechanisms in ultrafine grained freestanding aluminum thin films revealed by in-situ transmission electron microscopy nanomechanical testing

International Nuclear Information System (INIS)

Idrissi, Hosni; Kobler, Aaron; Amin-Ahmadi, Behnam; Schryvers, Dominique; Coulombier, Michael; Pardoen, Thomas; Galceran, Montserrat; Godet, Stéphane; Raskin, Jean-Pierre; Kübel, Christian

2014-01-01

In-situ bright field transmission electron microscopy (TEM) nanomechanical tensile testing and in-situ automated crystallographic orientation mapping in TEM were combined to unravel the elementary mechanisms controlling the plasticity of ultrafine grained Aluminum freestanding thin films. The characterizations demonstrate that deformation proceeds with a transition from grain rotation to intragranular dislocation glide and starvation plasticity mechanism at about 1% deformation. The grain rotation is not affected by the character of the grain boundaries. No grain growth or twinning is detected

Plasticity mechanisms in ultrafine grained freestanding aluminum thin films revealed by in-situ transmission electron microscopy nanomechanical testing

Energy Technology Data Exchange (ETDEWEB)

Idrissi, Hosni, E-mail: hosni.idrissi@ua.ac.be [EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Institute of Mechanics, Materials and Civil Engineering, Université catholique de Louvain, Place Sainte Barbe 2, B-1348 Louvain-La-Neuve (Belgium); Kobler, Aaron [Institute of Nanotechnology (INT) and Karlsruhe Nano Micro Facility (KNMF), Karlsruhe Institute of Technology - KIT, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Joint Research Laboratory Nanomaterials (KIT and TUD) at Technische Universität Darmstadt (TUD), Petersenstr. 32, 64287 Darmstadt (Germany); Amin-Ahmadi, Behnam; Schryvers, Dominique [EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Coulombier, Michael; Pardoen, Thomas [Institute of Mechanics, Materials and Civil Engineering, Université catholique de Louvain, Place Sainte Barbe 2, B-1348 Louvain-La-Neuve (Belgium); Galceran, Montserrat; Godet, Stéphane [Matters and Materials Department, Université Libre de Bruxelles, 50 Av. FD Roosevelt CP194/03, 1050 Brussels (Belgium); Raskin, Jean-Pierre [Information and Communications Technologies, Electronics and Applied Mathematics (ICTEAM), Microwave Laboratory, Université catholique de Louvain, B-1348 Louvain-la-Neuve (Belgium); Kübel, Christian [Institute of Nanotechnology (INT) and Karlsruhe Nano Micro Facility (KNMF), Karlsruhe Institute of Technology - KIT, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany)

2014-03-10

In-situ bright field transmission electron microscopy (TEM) nanomechanical tensile testing and in-situ automated crystallographic orientation mapping in TEM were combined to unravel the elementary mechanisms controlling the plasticity of ultrafine grained Aluminum freestanding thin films. The characterizations demonstrate that deformation proceeds with a transition from grain rotation to intragranular dislocation glide and starvation plasticity mechanism at about 1% deformation. The grain rotation is not affected by the character of the grain boundaries. No grain growth or twinning is detected.

Microstructure evolution and dislocation behaviour in high chromium, fully ferritic steels strengthened by intermetallic Laves phases.

Science.gov (United States)

Lopez Barrilao, Jennifer; Kuhn, Bernd; Wessel, Egbert

2018-05-01

In the present study a stainless, high strength, ferritic (non-martensitic) steel was analysed regarding microstructure and particle evolution. The preceding hot-rolling process of the steel results in the formation of sub-grain structures, which disappear over time at high temperature. Besides that the formation of particle-free zones was observed. The pronounced formation of these zones preferentially appears close to high angle grain boundaries and is considered to be responsible for long-term material failure under creep conditions. The reasons for this are lacking particle hardening and thus a concentration and accumulation of deformation in the particle free areas close to the grain boundaries. Accordingly in-depth investigations were performed by electron microscopy to analyse dislocation behaviour and its possible effect on the mechanical response of these weak areas. Copyright © 2018 Elsevier Ltd. All rights reserved.

Analysis of defect structure in silicon. Effect of grain boundary density on carrier mobility in UCP material

Science.gov (United States)

Dunn, J.; Stringfellow, G. B.; Natesh, R.

1982-01-01

The relationships between hole mobility and grain boundary density were studied. Mobility was measured using the van der Pauw technique, and grain boundary density was measured using a quantitative microscopy technique. Mobility was found to decrease with increasing grain boundary density.

Swelling and gas release of grain-boundary pores in uranium dioxide

International Nuclear Information System (INIS)

Schrire, D.I.

1983-12-01

The swelling and gas release of overpressured grain boundary pores is sintered unirradiated uranium dioxide were investigated under isothermal conditions. The pores became overpressured when the ambient pressure was reduced, and the excess pressure driving force caused growth and interconnection of the pores, leading to eventual gas release. Swelling was measured continuously by a linear variable differential transformer, and open and closed porosity fractions were determined after the tests by immersion density and quantitative microscopy measurements. The sinter porosity consisted of pores situated on grain faces, grain edges, and grain corners. Isolated pores maintained their equilibrium shape while growing, without any measurable change in dihedral angle. Interconnection occurred predominantly along grain edges, without any evidence of pore sharpening or crack propagation at low driving forces. Extensive open porosity occurred at a threshold density of about 85% TD. There was an almost linear dependence of the initial swelling rate on the driving force, with an activation energy of 200+- 8 kJ/mole, in good agreement with published values of the activation energy for grain boundary diffusion

Investigations of the electrical neutralization and bonding mechanisms of shallow impurities in silicon grain boundaries

International Nuclear Information System (INIS)

Kazmerski, L.L.; Nelson, A.J.; Dhere, R.G.; Abou-Elfotouh, F.

1987-01-01

Interactions between shallow acceptors (B, Al, Ga and In) and hydrogen in polycrystalline Si are investigated. The bonding mechanisms involved in the acceptor neutralization process at grain boundaries are examined using microanalytical techniques. Differences in the incorporation of molecular and atomic hydrogen, and corresponding variations in electrical passivation at grain boundaries, are observed. Low-temperature Auger difference spectroscopy confirms Si-H bonding to dominate B, Ga and In-doped cases, with no direct acceptor-hydrogen bonding. Al-rich grain boundaries show H-complex and hydroxyl bonding. The data confirm chemical bond strength trends with B< Ga< In. Volume-indexed AES is utilized to compare bonding and H-distributions in B- and Al-rich grain boundary regions

Effects of microstructures and creep conditions on the fractal dimension of grain boundary fracture in high-temperature creep of heat-resistant alloys

International Nuclear Information System (INIS)

Tanaka, Manabu

1993-01-01

The effects of microstructural aspects, such as grain size and grain boundary configuration, and creep conditions on the fractal dimension of the grain boundary fracture were examined using several heat-resistant alloys, principally in an analysis scale range between one grain boundary length and specimen size. Grain boundary fracture surface profiles in the heat-resistant alloys exhibited a fractal nature in the scale range between one grain boundary length and specimen size as well as in the scale range below one grain boundary length. The fractal dimension of the grain boundary fracture slightly increased with decreasing grain size and was generally a little larger in the specimens with serrated grain boundaries than in those with straight grain boundaries. The fractal dimension of the grain boundary and the number of grain boundary microcracks which affected the grain boundary fracture patterns were a little larger in the specimen with the smaller grain size, and were also larger in the specimen with serrated grain boundaries. The fractal dimension of the grain boundary fracture increased with decreasing creep stress in the temperature range from 973 to 1422 K in these alloys, since more grain boundary microcracks existed in the specimens ruptured under the lower stresses at the higher temperatures. (orig.) [de

Effect of solute concentration on grain boundary migration with segregation in stainless steel and model alloys

Science.gov (United States)

Kanda, H.; Hashimoto, N.; Takahashi, H.

The phenomenon of grain boundary migration due to boundary diffusion via vacancies is a well-known process for recrystallization and grain growth during annealing. This phenomenon is known as diffusion-induced grain boundary migration (DIGM) and has been recognized in various binary systems. On the other hand, grain boundary migration often occurs under irradiation. Furthermore, such radiation-induced grain boundary migration (RIGM) gives rise to solute segregation. In order to investigate the RIGM mechanism and the interaction between solutes and point defects during the migration, stainless steel and Ni-Si model alloys were electron-irradiated using a HVEM. RIGM was often observed in stainless steels during irradiation. The migration rate of boundary varied, and three stages of the migration were recognized. At lower temperatures, incubation periods up to the occurrence of the boundary migration were observed prior to first stage. These behaviors were recognized particularly for lower solute containing alloys. From the relation between the migration rates at stage I and inverse temperatures, activation energies for the boundary migration were estimated. In comparison to the activation energy without irradiation, these values were very low. This suggests that the RIGM is caused by the flow of mixed-dumbbells toward the grain boundary. The interaction between solute and point defects and the effective defect concentration generating segregation will be discussed.

Determination of compositional ordering at grain boundaries in boron-doped Ni3Al

International Nuclear Information System (INIS)

Mills, M.J.

1989-01-01

The effects of crystal thickness and defocus on the superlattice contrast from HRTEM images have been demonstrated. The results indicate that fine, FCC fringe spacings in the vicinity of these grain boundaries can be produced if the boundary is slightly inclined to the electron beam, creating the false impression that the region is compositionally disordered. For properly chosen defocus conditions and boundary orientation, contrast typical of the ordered structure extends up to the estimated position of the boundary plane. The lack of a distinct disordered region suggests that microplasticity near grain boundaries is not significantly affected by the presence of B, and that its influence must be highly localized to the boundaries

Microstructure-sensitive modelling of dislocation creep in polycrystalline FCC alloys: Orowan theory revisited

Energy Technology Data Exchange (ETDEWEB)

Galindo-Nava, E.I., E-mail: eg375@cam.ac.uk; Rae, C.M.F.

2016-01-10

A new approach for modelling dislocation creep during primary and secondary creep in FCC metals is proposed. The Orowan equation and dislocation behaviour at the grain scale are revisited to include the effects of different microstructures such as the grain size and solute atoms. Dislocation activity is proposed to follow a jog-diffusion law. It is shown that the activation energy for cross-slip E{sub cs} controls dislocation mobility and the strain increments during secondary creep. This is confirmed by successfully comparing E{sub cs} with the experimentally determined activation energy during secondary creep in 5 FCC metals. It is shown that the inverse relationship between the grain size and dislocation creep is attributed to the higher number of strain increments at the grain level dominating their magnitude as the grain size decreases. An alternative approach describing solid solution strengthening effects in nickel alloys is presented, where the dislocation mobility is reduced by dislocation pinning around solute atoms. An analysis on the solid solution strengthening effects of typical elements employed in Ni-base superalloys is also discussed. The model results are validated against measurements of Cu, Ni, Ti and 4 Ni-base alloys for wide deformation conditions and different grain sizes.

Distribution of distances between dislocations in different types of dislocation substructures in deformed Cu-Al alloys

Energy Technology Data Exchange (ETDEWEB)

Trishkina, L., E-mail: trishkina.53@mail.ru; Zboykova, N.; Koneva, N., E-mail: koneva@tsuab.ru; Kozlov, E. [Tomsk State University of Architecture and Building, 2 Solyanaya St., Tomsk, 634003 (Russian Federation); Cherkasova, T. [Tomsk State University of Architecture and Building, 2 Solyanaya St., Tomsk, 634003 (Russian Federation); National Research Tomsk Polytechnic University, 50 Lenin Ave., Tomsk, 634050 (Russian Federation)

2016-01-15

The aim of the investigation was the determination of the statistic description of dislocation distribution in each dislocation substructures component forming after different deformation degrees in the Cu-Al alloys. The dislocation structures were investigated by the transmission diffraction electron microscopy method. In the work the statistic description of distance distribution between the dislocations, dislocation barriers and dislocation tangles in the deformed Cu-Al alloys with different concentration of Al and test temperature at the grain size of 100 µm was carried out. It was established that the above parameters influence the dislocation distribution in different types of the dislocation substructures (DSS): dislocation chaos, dislocation networks without disorientation, nondisoriented and disoriented cells, in the walls and inside the cells. The distributions of the distances between dislocations in the investigated alloys for each DSS type formed at certain deformation degrees and various test temperatures were plotted.

Distribution of distances between dislocations in different types of dislocation substructures in deformed Cu-Al alloys

Science.gov (United States)

Trishkina, L.; Cherkasova, T.; Zboykova, N.; Koneva, N.; Kozlov, E.

2016-01-01

The aim of the investigation was the determination of the statistic description of dislocation distribution in each dislocation substructures component forming after different deformation degrees in the Cu-Al alloys. The dislocation structures were investigated by the transmission diffraction electron microscopy method. In the work the statistic description of distance distribution between the dislocations, dislocation barriers and dislocation tangles in the deformed Cu-Al alloys with different concentration of Al and test temperature at the grain size of 100 µm was carried out. It was established that the above parameters influence the dislocation distribution in different types of the dislocation substructures (DSS): dislocation chaos, dislocation networks without disorientation, nondisoriented and disoriented cells, in the walls and inside the cells. The distributions of the distances between dislocations in the investigated alloys for each DSS type formed at certain deformation degrees and various test temperatures were plotted.

Effect of grain boundary phase on the magnetization reversal process of nanocrystalline magnet using large-scale micromagnetic simulation

Directory of Open Access Journals (Sweden)

Hiroshi Tsukahara

2018-05-01

Full Text Available We investigated the effects of grain boundary phases on magnetization reversal in permanent magnets by performing large-scale micromagnetic simulations based on Landau–Lifshitz–Gilbert equation under a periodic boundary. We considered planar grain boundary phases parallel and perpendicular to an easy axis of the permanent magnet and assumed the saturation magnetization and exchange stiffness constant of the grain boundary phase to be 10% and 1%, respectively, for Nd2Fe14B grains. The grain boundary phase parallel to the easy axis effectively inhibits propagation of magnetization reversal. In contrast, the domain wall moves across the grain boundary perpendicular to the easy axis. These properties of the domain wall motion are explained by dipole interaction, which stabilizes the antiparallel magnetic configuration in the direction perpendicular to the magnetization orientation. On the other hand, the magnetization is aligned in the same direction by the dipole interaction parallel to the magnetization orientation. This anisotropy of the effect of the grain boundary phase shows that improvement of the grain boundary phase perpendicular to the easy axis effectively enhances the coercivity of permanent magnets.

Grain boundary engineering to control the discontinuous precipitation in multicomponent U10Mo alloy

Energy Technology Data Exchange (ETDEWEB)

Devaraj, Arun; Kovarik, Libor; Kautz, Elizabeth; Arey, Bruce; Jana, Saumyadeep; Lavender, Curt; Joshi, Vineet

2018-06-01

Grain boundaries in metallic alloys often play a crucial role, not only in determining the mechanical properties or thermal stability of alloys, but also in dictating the phase transformation kinetics during thermomechanical processing. We demonstrate that locally stabilized structure and compositional segregation at grain boundaries—“grain boundary complexions”—in a complex multicomponent alloy can be modified to influence the kinetics of cellular transformation during subsequent thermomechanical processing. Using aberration-corrected scanning transmission electron microscopy and atom probe tomography analysis of a metallic nuclear fuel highly relevant to worldwide nuclear non-proliferation efforts —uranium-10 wt% molybdenum (U-10Mo) alloy, new evidence for the existence of grain boundary complexion is provided. We then modified the concentration of impurities dissolved in Υ-UMo grain interiors and/or segregated to Υ-UMo grain boundaries by changing the homogenization treatment, and these effects were used used to retard the kinetics of cellular transformation during subsequent sub-eutectoid annealing in this U-10-Mo alloy during sub-eutectoid annealing. Thus, this work provided insights on tailoring the final microstructure of the U-10Mo alloy, which can potentially improve the irradiation performance of this important class of alloy fuels.

Superplasticity and grain boundary character distribution in overaged Al-Li-Cu-Mg-Zr alloy

International Nuclear Information System (INIS)

Avramovic-Cingara, G.; Aust, K.T.; Perovic, D.D.; McQueen, H.J.

1995-01-01

Samples of 8091 alloy were subjected to a thermomechanical processing (TMP) treatment that included the following stages: overaging before deformation, multistage deformation at 300 deg C and strain rate change tests for superplasticity. Torsional deformation was utilized both to develop the refined microstructure and to test for superplasticity. The strain rate sensitivity, m, of the material ranged between 0.30 and 0.45 at 450 deg C for strain rates between 8 x 10 -2 and 10 -3 s -1 . The grain boundary character distribution (GBCD) of thermomechanically processed Al-Li-Cu-Mg-Zr (8091) alloy, which develops good superplastic response, has been determined by an electron backscattering diffraction technique (EBSD). All grain boundaries have been classified into one of three categories in terms of Σ values : low angle, coincidence site lattice and random high angle boundaries. Quantitative studies of grain boundary character were done after various processing stages to obtain evidence about structure evolution and indicate an increase in Σ boundary frequency following TMP. Selected area electron diffraction examination (SAD) gave evidence about the refined structure, in which the grain boundary misorientation increased EBSD how the grain boundary character was changed to high Σ values. TEM analyses indicate that the T 2 phase is responsible for substructure stabilization. There is no evidence of cavity formation during superplastic deformation by torsion, which suggests that cavity nucleation is strongly influenced by the nature of stress. (author). 32 refs., 3 tabs., 9 figs

Grain boundary embrittlement and cohesion enhancement in copper

Energy Technology Data Exchange (ETDEWEB)

Paxton, Anthony; Lozovoi, Alexander [Atomistic Simulation Centre, Queen' s University Belfast, BT7 1NN (United Kingdom); Schweinfest, Rainer [Science+Computing ag, Hagellocher Weg 71-5, 720270 T ubingen (Germany); Finnis, Michael [Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom)

2008-07-01

There has been a long standing debate surrounding the mechanism of grain boundary embrittlement and cohesion enhancement in metals. Embrittlement can lead to catastrophic failure such as happened in the Hinkley Point disaster, or indeed in the case of the Titanic. This kind of embrittlement is caused by segregation of low solubility impurities to grain boundaries. While the accepted wisdom is that this is a phenomenon driven by electronic or chemical factors, using language such as charge transfer and electronegativity difference; we believe that in copper, at least, both cohesion enhancement and reduction are caused by a simple size effect. We have developed a theory that allows us to separate unambiguously, if not uniquely, chemical and structural factors. We have studied a large number of solutes in copper using first principles atomistic simulation to support this argument, and the results of these calculations are presented here.

Branching-induced grain boundary evolution during directional solidification of columnar dendritic grains

International Nuclear Information System (INIS)

Guo, Chunwen; Li, Junjie; Yu, Honglei; Wang, Zhijun; Lin, Xin; Wang, Jincheng

2017-01-01

We present an investigation of secondary and tertiary branching behavior in diverging grain boundaries (GBs) between two columnar dendritic grains with different crystallographic orientations, both by two-dimensional phase-field simulations and thin-sample experiments. The stochasticity of the GB trajectories and the statistically averaged GB orientations were analyzed in detail. The side-branching dynamics and subsequent branch competition behaviors found in the simulations agreed well with the experimental results. When the orientations of two grains are given, the experimental results indicated that the average GB orientation was independent of the pulling velocity in the dendritic growth regime. The simulation and experimental results, as well as the results reported in the literature exhibit a uniform relation between the percentage of the whole gap region occupied by the favorably oriented grain and the difference in the absolute values of the secondary arm growth directions of the two competitive grains. By describing such a uniform relation with a simple fitting equation, we proposed a simple analytical model for the GB orientation at diverging GBs, which gives a more accurate description of GB orientation selection than the existing models.

Superconductivity of individual grains and inter-grain boundaries for polycrystalline FeSr2YCu2O6+y

International Nuclear Information System (INIS)

Yamaguchi, K.; Hata, Y.; Mochiku, T.; Yasuoka, H.

2013-01-01

Polycrystalline FeSr 2 YCu 2 O 6+y was synthesized and its transport and magnetic properties were studied. Diamagnetism was observed below 60 K. Zero resistivity was observed below 38 K under zero magnetic field and below 10 K under 160 kOe. A two-step transition was observed in resistivity measurement due to the superconductivity in individual grains and across inter-grain boundaries. The critical current density in individual grains, J c intra , at 2 K under 1 kOe was deduced 3.4 × 10 5 A/cm 2 from the Bean model. In contrast, the critical current density in inter-grain boundaries, J c inter , at 2 K was 1.7 A/cm 2 in voltage–current measurement. The two-step transition seems to result from the large difference between J c intra and J c inter

Influence of microstructure on grain boundary sliding of alloys 600 and 690

International Nuclear Information System (INIS)

Kergaravat, J.F.; Guetaz, L.; Baillin, X.; Robert, G.

1995-01-01

The influence of deformation and damage mechanisms, and more especially of the grain boundary sliding effect, on the stress corrosion of nickel base alloys used in nuclear industry (exchanger tubes), has been experimentally examined. The grain boundary sliding effect has been measured at 500 C and 320 C on several samples of alloy 690 and 600 (in the mill annealed and mill annealed heat treated conditions). (author). 4 figs., 1 tab

Effects of dislocations on electron channeling

International Nuclear Information System (INIS)

George, Juby; Pathak, A P

2009-01-01

The phenomenon of electron channeling in a crystal affected by dislocations is considered. Earlier we had considered the quantum aspects of the positron channeling in a crystal bent by dislocations where the effects of longitudinal motion of the particle were also considered along with the transverse motion. In this paper, the effective potential for the electron case is found for the two regions of dislocation-affected channel. There is considerable shift in the potential minima due to dislocations. The frequency and the corresponding spectrum of the channeling radiation due to electrons channeling through the perfect channel and the two regions of dislocation-affected channels are calculated. The spectral distribution of radiation intensity changes with the parameters of dislocation. The continuity of wavefunctions and their derivatives is used at the three boundaries and the reflection and transmission coefficients are found using these boundary conditions in the same way as in the positron case.

submitter Thermal stability of interface voids in Cu grain boundaries with molecular dynamic simulations

CERN Document Server

Xydou, A; Aicheler, M; Djurabekova, F

2016-01-01

By means of molecular dynamic simulations, the stability of cylindrical voids is examined with respect to the diffusion bonding procedure. To do this, the effect of grain boundaries between the grains of different crystallographic orientations on the void closing time was studied at high temperatures from 0.7 up to 0.94 of the bulk melting temperature $(T_m)$. The diameter of the voids varied from 3.5 to 6.5 nm. A thermal instability occurring at high temperatures at the surface of the void placed in a grain boundary triggered the eventual closure of the void at all examined temperatures. The closing time has an exponential dependence on the examined temperature values. A model based on the defect diffusion theory is developed to predict the closing time for voids of macroscopic size. The diffusion coefficient within the grain boundaries is found to be overall higher than the diffusion coefficient in the region around the void surface. The activation energy for the diffusion in the grain boundary is calculate...

Boundary migration in a 3D deformed microstructure inside an opaque sample

DEFF Research Database (Denmark)

Zhang, Yubin; Budai, J D; Tischler, Jonathan Z.

2017-01-01

How boundaries surrounding recrystallization grains migrate through the 3D network of dislocation boundaries in deformed crystalline materials is unknown and critical for the resulting recrystallized crystalline materials. Using X-ray Laue diffraction microscopy, we show for the first time....... The results show that neither of these two parameters can explain the observed migration behavior. Instead we suggest that the subdivision of the deformed microstructure ahead of the boundary plays the dominant role. The present experimental observations challenge the assumptions of existing recrystallization...

Large modulation of carrier transport by grain-boundary molecular packing and microstructure in organic thin films

KAUST Repository

Rivnay, Jonathan

2009-11-08

Solution-processable organic semiconductors are central to developing viable printed electronics, and performance comparable to that of amorphous silicon has been reported for films grown from soluble semiconductors. However, the seemingly desirable formation of large crystalline domains introduces grain boundaries, resulting in substantial device-to-device performance variations. Indeed, for films where the grain-boundary structure is random, a few unfavourable grain boundaries may dominate device performance. Here we isolate the effects of molecular-level structure at grain boundaries by engineering the microstructure of the high-performance n-type perylenediimide semiconductor PDI8-CN 2 and analyse their consequences for charge transport. A combination of advanced X-ray scattering, first-principles computation and transistor characterization applied to PDI8-CN 2 films reveals that grain-boundary orientation modulates carrier mobility by approximately two orders of magnitude. For PDI8-CN 2 we show that the molecular packing motif (that is, herringbone versus slip-stacked) plays a decisive part in grain-boundary-induced transport anisotropy. The results of this study provide important guidelines for designing device-optimized molecular semiconductors. © 2009 Macmillan Publishers Limited. All rights reserved.