Attenuation of the dynamic yield point of shocked aluminum using elastodynamic simulations of dislocation dynamics.

PubMed

Gurrutxaga-Lerma, Beñat; Balint, Daniel S; Dini, Daniele; Eakins, Daniel E; Sutton, Adrian P

2015-05-01

When a metal is subjected to extremely rapid compression, a shock wave is launched that generates dislocations as it propagates. The shock wave evolves into a characteristic two-wave structure, with an elastic wave preceding a plastic front. It has been known for more than six decades that the amplitude of the elastic wave decays the farther it travels into the metal: this is known as "the decay of the elastic precursor." The amplitude of the elastic precursor is a dynamic yield point because it marks the transition from elastic to plastic behavior. In this Letter we provide a full explanation of this attenuation using the first method of dislocation dynamics to treat the time dependence of the elastic fields of dislocations explicitly. We show that the decay of the elastic precursor is a result of the interference of the elastic shock wave with elastic waves emanating from dislocations nucleated in the shock front. Our simulations reproduce quantitatively recent experiments on the decay of the elastic precursor in aluminum and its dependence on strain rate.

Formation of Island Arc-Trench System due to Plate Subduction on the Basis of Elastic Dislocation Theory

NASA Astrophysics Data System (ADS)

Fukahata, Y.; Matsu'ura, M.

2015-12-01

The most conspicuous cumulative deformation in subduction zones is the formation of island arc-trench system. A pair of anomalies in topography and free-air gravity, high in the arc and low around the trench, is observed without exceptions all over the world. Since the 1960s, elastic dislocation theory has been widely used to interpret coseismic crustal deformation. For the modeling of longer-term crustal deformation, it is necessary to consider viscoelastic properties of the asthenosphere. By simply applying elastic-viscoelastic dislocation theory to plate subduction, Matsu'ura and Sato (1989, GJI) have shown that some crustal deformation remains after the completion of one earthquake cycle, which means that crustal deformation accumulates with time in a long term due to plate subduction. In fact, by constructing a plate interface model in and around Japan, Hashimoto, Fukui and Matsu'ura (2004, PAGEOPH) have demonstrated that the computed vertical displacements due to steady plate subduction well explain the observed free-air gravity anomaly pattern. Recently, we got a lucid explanation of crustal deformation due to plate subduction. In subduction zones, oceanic plates bend and descend into the mantle. Because the bending of oceanic plates is usually not spontaneous, there exists kinematic interaction between the oceanic and overriding plates, which causes cumulative deformation of the overriding plate. This may be understood based on the law of action and reaction: one is bending of an oceanic plate and the other is deformation of the overriding plate. As a special case, it is useful to consider plate subduction along a part of true circle. In this case, crustal deformation due to steady subduction is solely caused by the effect of gravity, because dislocation along a circle does not cause any intrinsic internal deformation. When an oceanic plate is descending along an arcuate plate interface from the right-hand side, according to dislocation theory, the oceanic plate rotates anti-clockwise and the overriding plate rotates clockwise. The gravity, however, requires both plates at a distance from the trench to remain in the original gravitational equilibrium, which results in upward bending of both plates. As subduction proceeds, the deformation of the upward bending accumulates with time.

A study of microindentation hardness tests by mechanism-based strain gradient plasticity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Y.; Xue, Z.; Gao, H.

2000-08-01

We recently proposed a theory of mechanism-based strain gradient (MSG) plasticity to account for the size dependence of plastic deformation at micron- and submicron-length scales. The MSG plasticity theory connects micron-scale plasticity to dislocation theories via a multiscale, hierarchical framework linking Taylor's dislocation hardening model to strain gradient plasticity. Here we show that the theory of MSG plasticity, when used to study micro-indentation, indeed reproduces the linear dependence observed in experiments, thus providing an important self-consistent check of the theory. The effects of pileup, sink-in, and the radius of indenter tip have been taken into account in the indentation model.more » In accomplishing this objective, we have generalized the MSG plasticity theory to include the elastic deformation in the hierarchical framework. (c) 2000 Materials Research Society.« less

Earthquake-origin expansion of the Earth inferred from a spherical-Earth elastic dislocation theory

NASA Astrophysics Data System (ADS)

Xu, Changyi; Sun, Wenke

2014-12-01

In this paper, we propose an approach to compute the coseismic Earth's volume change based on a spherical-Earth elastic dislocation theory. We present a general expression of the Earth's volume change for three typical dislocations: the shear, tensile and explosion sources. We conduct a case study for the 2004 Sumatra earthquake (Mw9.3), the 2010 Chile earthquake (Mw8.8), the 2011 Tohoku-Oki earthquake (Mw9.0) and the 2013 Okhotsk Sea earthquake (Mw8.3). The results show that mega-thrust earthquakes make the Earth expand and earthquakes along a normal fault make the Earth contract. We compare the volume changes computed for finite fault models and a point source of the 2011 Tohoku-Oki earthquake (Mw9.0). The big difference of the results indicates that the coseismic changes in the Earth's volume (or the mean radius) are strongly dependent on the earthquakes' focal mechanism, especially the depth and the dip angle. Then we estimate the cumulative volume changes by historical earthquakes (Mw ≥ 7.0) since 1960, and obtain an Earth mean radius expanding rate about 0.011 mm yr-1.

Elasticity and dislocation anelasticity of crystals

NASA Astrophysics Data System (ADS)

Nikanorov, S. P.; Kardashev, B. K.

The book is concerned with the application of the results of physical acoustic studies of elasticity and dislocation anelasticity to the investigation of interatomic interactions and interactions between lattice defects. The analysis of the potential functions determining the energy of interatomic interactions is based on a study of the elastic properties of crystals over a wide temperature range; data on the dislocation structure and on the interaction between dislocations and point defects are based mainly on a study of inelastic effects. Particular attention is given to the relationship between microplastic effects and the initial stage of plastic deformation under conditions of elastic oscillations, when the multiplication of dislocations is negligible.

PREFACE: Festschrift to mark the sixtieth birthday of Professor Jens Lothe

NASA Astrophysics Data System (ADS)

Jøssang, Torstein; Barnett, David M.

1992-01-01

The collection of papers in this Festschrift represents the proceedings of a symposium held at the Norwegian Academy of Science and Letters on November 25-26, 1991, marking the occasion of the sixtieth birthday of Professor Jens Lothe. The symposium organizers attempted to invite contributors, either written, oral, or both, from a group of international scientists who have either collaborated with Jens in the past or whose work has had a significant impact in one of three areas in which Jens has focussed his own research interests, namely, statistical physics, elasticity and elastic waves, and the theory of dislocations in crystalline solids. The extent to which we have succeeded in obtaining a proper spectrum of contributors and contributions must be judged by the readers of this volume. It is rather rare in modern times to encounter a physicist such as Jens who has made seminal contributions in fields as diverse as the three included in this Festschrift. For this reason it is both historically interesting and instructive to follow the path that Jens Lothe's research career has taken him, since doing so clearly points out the international nature of the scientific endeavor and the fact that the search for scientific truth transcends national borders and governmental ideologies. Jens' postdoctoral studies at the University of Bristol in the late 1950s brought him in contact with an American postdoctoral student, John Hirth, who had worked on nucleation theory and condensation under the late Professor G M Pound at Carnegie-Mellon University. (Alex Maradudin, one of the contributors to the surface wave session of this symposium was also a postdoctoral fellow at Bristol at this time.) Both Lothe and Hirth had come to Bristol to acquaint themselves with dislocation theory; their first joint paper on double-kink nucleation theory was followed by numerous joint efforts, including their now-classic book Theory of Dislocations. Clearly, their interaction jelled. As legend has it, Hirth, recognizing Jens' interests and talents in statistical physics, brought Lothe to Pound's attention. Jens accepted an invitation to spend time at Carnegie-Mellon as a visiting faculty member, a stay which ultimately resulted in a series of penetrating papers on nucleation theory with Pound, Ken Russell (a student of Pound's, later a postdoctoral fellow with Jens, and a contributor to this symposium), and Jens Feder (a former student of Jens' and co-author of the opening lecture). When Pound later moved to Stanford University, he was fond of saying how at that time nucleation theory needed the strong hand of a good statistical physicist, and that "Jens Lothe showed us how to do it right". Meanwhile, a part of the "Bristol Connection" had moved to Ohio State University, where John Hirth had joined the faculty, and where one of us (TJ, who is also a former student of Jens') had come for postdoctoral work with Hirth on dislocation theory. When Jøssang returned to Oslo, Lothe rejoined Hirth for a year, to continue the preparations for production of the dislocation text several years later. A glance at Jens' publication list shows that upon his return to the physics group in Oslo in the mid 1960s his research interests were turning to the effects of elastic anisotropy in dislocation theory. His 1967 paper "Dislocation Bends in Anisotropic Media" appears immediately before L M Brown's "A Proof of Lothe's Theorem" in the same issue of Philosophical Magazine, the latter paper being stimulated by the former. Together these two articles form the basis for what might be termed the modern geometrical theory of planar dislocation loops. Within a year V L Indenbom and S S Orlov in the Soviet Union would publish the fully three-dimensional version of the theory; Jens was instrumental in bringing to the attention of western scientists the correctness and importance of the Indenbom-Orlov work at the 1969 National Bureau of Standards Conference on Fundamental Aspects of Dislocation Theory (Gaithersburg, Maryland, USA). This familiarity with and appreciation for contemporary Russian work in dislocation theory and (later) in elastic waves, as well as his knowledge of the Russian language, was to become a trademark of Jens during the next 20 years, a point to which we shall return. Kazumi Nishioka, a student of Pound's from Stanford (and a contributor to this symposium) joined Jens for post- doctoral studies in statistical physics in 1970, but soon found himself engaged in anisotropic elasticity and the connection between dislocations in uniform motion and the theory of surface waves (as pointed out by the late A N Stroh in 1962). Lothe and Nishioka wrote to one of us (DMB), who was now at Stanford and pursuing the use of an integral formalism rather than the Stroh sextic formalism for anisotropic elasticity, about the possibility of collaborating on certain aspects of subsonic Rayleigh wave theory. By 1974 Jens and DMB had not only virtually settled the issue of the existence of subsonic surface waves in anisotropic elastic half-spaces, but had embarked on a collaboration which still exists, having produced 24 joint publications. Oddly enough, a key ingredient in resolving the Rayleigh wave problem was somewhat fortuitously recalled by Barnett from a paper he requested from Jens ("Some Unifying Relations for Moving Dislocations", by R J Beltz, T L Davis and K Malen, three of Jens' postdoctoral students in 1967-68) four years prior to their collaboration. Professor Peter Chadwick, FRS (a contributor to the surface wave session), of the School of Mathematics at the University of East Anglia, UK, and his student, G D Smith, placed the Lothe-Barnett theory of subsonic surface waves on a much firmer and comprehensive basis in their beautiful 1977 monograph "Foundations of the Theory of Surface Waves in Anisotropic Elastic Materials"; this work clearly delineated the important notions of limiting speed, first transonic state, and exceptional limiting waves, notions which in a sense lead to what can be called the "Russian Connection" with V L Indenbom, V I Alshits (a contributor to the surface wave session), and their colleagues, as well as the broadening of Jens' interests in elastic waves. Jens' much earlier work on radiation forces on moving dislocations was known and well-appreciated by Indenbom. Following a stay in Oslo as a visiting scientist, Alshits collaborated with Lothe to produce a remarkable series of three papers which clearly showed that degeneracies between slowness branches (acoustic axes) are usually the rule and not the exception in any crystal symmetry class, and that acoustic axes are the anchoring points for lines of exceptional waves on the unit sphere. Later, Professor Per Holm (Mathematics Department, University of Oslo, and a contributor of this volume) and Jens co-authored a deep mathematical study of the topology of bulk wave polarization fields on the unit sphere. In 1981 Alshits and Lothe provided the link between surface wave theory and the theory of bulk wave reflection, which have essentially paved the way for a clearer and more unified view of supersonic surface wave theory. More recent work by Steinar A Gundersen (Jens' most recent doctoral graduate and author of the introductory surface wave paper in this volume), Litian Wang (Jens' present graduate student and a contributor to this volume), and Jens on secluded surface waves and by Chadwick, Lothe and Barnett on one-component surface waves have roots in the 1981 Alshits-Lothe paper. We now eagerly await the appearance of the book Elastic Strain Fields and Dislocation Mobility, co-edited by Jens and V L Indenbom, currently in press through North-Holland, Amsterdam. A glance at the last 30 publications in Jens' vita shows the extent to which his Russian connection has broadened. He has taken great efforts to maintain familiarity with the relevant Russian scientific literature and to nurture and encourage western acquaintance with their work. No doubt his warm personality, natural curiosity and willingness to promote and seize opportunities for collaboration across national boundaries is what has allowed great intellect stationed in a somewhat remote part of the scientific community to engender such a large international following, when other gifted men might have chosen to work in isolation under similar circumstances. Vladimir Alshits may have said it best during his visit to Oslo last April, namely, "There are three Norwegian names known to every Russian—Henrik Ibsen, Fridtjof Nansen and Jens Lothe". None of this is meant to imply that Jens has neglected or ignored his colleagues in Norway. Indeed, quite the contrary is true, but we believe the exposition on the development within the Solid State Group and the Cooperative Phenomena Program at the University of Oslo and at NTH in Trondheim in this symposium and its proceedings, presented by the local staff and present close associates addresses Jens Lothe's contribution on the home front far better than this preface would allow. We believe we speak for all the symposium attendees by extending to Jens the happiest greetings and our best wishes for continued health and happiness.

Coseismic Gravity and Displacement Signatures Induced by the 2013 Okhotsk Mw8.3 Earthquake.

PubMed

Zhang, Guoqing; Shen, Wenbin; Xu, Changyi; Zhu, Yiqing

2016-09-01

In this study, Gravity Recovery and Climate Experiment (GRACE) RL05 data from January 2003 to October 2014 were used to extract the coseismic gravity changes induced by the 24 May 2013 Okhotsk Mw8.3 deep-focus earthquake using the difference and least square fitting methods. The gravity changes obtained from GRACE data agreed well with those from dislocation theory in both magnitude and spatial pattern. Positive and negative gravity changes appeared on both sides of the epicenter. The positive signature appeared on the western side, and the peak value was approximately 0.4 microgal (1 microgal = 10(-8) m/s²), whereas on the eastern side, the gravity signature was negative, and the peak value was approximately -1.1 microgal. It demonstrates that deep-focus earthquakes Mw ≤ 8.5 are detectable by GRACE observations. Moreover, the coseismic displacements of 20 Global Positioning System (GPS) stations on the Earth's surface were simulated using an elastic dislocation theory in a spherical earth model, and the results are consistent with the GPS results, especially the near-field results. We also estimated the gravity contributions from the coseismic vertical displacements and density changes, analyzed the proportion of these two gravity change factors (based on an elastic dislocation theory in a spherical earth model) in this deep-focus earthquake. The gravity effect from vertical displacement is four times larger than that caused by density redistribution.

The Peierls stress of the moving [Formula: see text] screw dislocation in Ta.

PubMed

Liu, Ruiping; Wang, Shaofeng; Wu, Xiaozhi

2009-08-26

The Peierls stress of the moving [Formula: see text] screw dislocation with a planar and non-dissociated core structure in Ta has been calculated. The elastic strain energy which is associated with the discrete effect of the lattice and ignored in classical Peierls-Nabarro (P-N) theory has been taken into account in calculating the Peierls stress, and it can make the Peierls stress become smaller. The Peierls stress we obtain is very close to the experimental data. As shown in the numerical calculations and atomistic simulations, the core structure of the screw dislocation undergoes significant changes under the explicit stress before the screw dislocation moves. Moreover, the mechanism of the screw dislocation is revealed by our results and the experimental data that the screw dislocation retracts its extension in three {110} planes and transforms its dissociated core structure into a planar configuration. Therefore, the core structure of the moving [Formula: see text] screw dislocation in Ta is proposed to be planar.

The influence of transition metal solutes on the dislocation core structure and values of the Peierls stress and barrier in tungsten

NASA Astrophysics Data System (ADS)

Samolyuk, G. D.; Osetsky, Y. N.; Stoller, R. E.

2013-01-01

Several transition metals were examined to evaluate their potential for improving the ductility of tungsten. The dislocation core structure and Peierls stress and barrier of 1/2<111> screw dislocations in binary tungsten-transition metal alloys (W1-xTMx) were investigated using density functional theory calculations. The periodic quadrupole approach was applied to model the structure of the 1/2<111> dislocation. Alloying with transition metals was modeled using the virtual crystal approximation and the applicability of this approach was assessed by calculating the equilibrium lattice parameter and elastic constants of the tungsten alloys. Reasonable agreement was obtained with experimental data and with results obtained from the conventional supercell approach. Increasing the concentration of a transition metal from the VIIIA group, i.e. the elements in columns headed by Fe, Co and Ni, leads to reduction of the C‧ elastic constant and increase of the elastic anisotropy A = C44/C‧. Alloying W with a group VIIIA transition metal changes the structure of the dislocation core from symmetric to asymmetric, similarly to results obtained for W1-xRex alloys in the earlier work of Romaner et al (2010 Phys. Rev. Lett. 104 195503). In addition to a change in the core symmetry, the values of the Peierls stress and barrier are reduced. The latter effect could lead to increased ductility in a tungsten-based alloy. Our results demonstrate that alloying with any of the transition metals from the VIIIA group should have a similar effect to alloying with Re.

A statistical analysis of the elastic distortion and dislocation density fields in deformed crystals

DOE PAGES

Mohamed, Mamdouh S.; Larson, Bennett C.; Tischler, Jonathan Z.; ...

2015-05-18

The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoreticalmore » analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kr ner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.« less

Elasticity and dislocation inelasticity of crystals

NASA Astrophysics Data System (ADS)

Nikanorov, S. P.; Kardashev, B. K.

The use of methods of physical acoustics for studying the elasticity and dislocation inelasticity of crystals is discussed, as is the application of the results of such studies to the analysis of interatomic and lattice defect interactions. The analysis of the potential functions determining the energy of interatomic interactions is based on an analysis of the elastic properties of crystals over a wide temperature range. The data on the dislocation structure and the interaction between dislocations and point defects are obtained from a study of inelastic effects. Particular attention is given to the relationship between microplastic effects under conditions of elastic oscillations and the initial stage of plastic deformation.

Coseismic Gravity and Displacement Signatures Induced by the 2013 Okhotsk Mw8.3 Earthquake

PubMed Central

Zhang, Guoqing; Shen, Wenbin; Xu, Changyi; Zhu, Yiqing

2016-01-01

In this study, Gravity Recovery and Climate Experiment (GRACE) RL05 data from January 2003 to October 2014 were used to extract the coseismic gravity changes induced by the 24 May 2013 Okhotsk Mw8.3 deep-focus earthquake using the difference and least square fitting methods. The gravity changes obtained from GRACE data agreed well with those from dislocation theory in both magnitude and spatial pattern. Positive and negative gravity changes appeared on both sides of the epicenter. The positive signature appeared on the western side, and the peak value was approximately 0.4 microgal (1 microgal = 10−8 m/s2), whereas on the eastern side, the gravity signature was negative, and the peak value was approximately −1.1 microgal. It demonstrates that deep-focus earthquakes Mw ≤ 8.5 are detectable by GRACE observations. Moreover, the coseismic displacements of 20 Global Positioning System (GPS) stations on the Earth’s surface were simulated using an elastic dislocation theory in a spherical earth model, and the results are consistent with the GPS results, especially the near-field results. We also estimated the gravity contributions from the coseismic vertical displacements and density changes, analyzed the proportion of these two gravity change factors (based on an elastic dislocation theory in a spherical earth model) in this deep-focus earthquake. The gravity effect from vertical displacement is four times larger than that caused by density redistribution. PMID:27598158

Kinematic assumptions and their consequences on the structure of field equations in continuum dislocation theory

NASA Astrophysics Data System (ADS)

Silbermann, C. B.; Ihlemann, J.

2016-03-01

Continuum Dislocation Theory (CDT) relates gradients of plastic deformation in crystals with the presence of geometrically necessary dislocations. Therefore, the dislocation tensor is introduced as an additional thermodynamic state variable which reflects tensorial properties of dislocation ensembles. Moreover, the CDT captures both the strain energy from the macroscopic deformation of the crystal and the elastic energy of the dislocation network, as well as the dissipation of energy due to dislocation motion. The present contribution deals with the geometrically linear CDT. More precise, the focus is on the role of dislocation kinematics for single and multi-slip and its consequences on the field equations. Thereby, the number of active slip systems plays a crucial role since it restricts the degrees of freedom of plastic deformation. Special attention is put on the definition of proper, well-defined invariants of the dislocation tensor in order to avoid any spurious dependence of the resulting field equations on the coordinate system. It is shown how a slip system based approach can be in accordance with the tensor nature of the involved quantities. At first, only dislocation glide in one active slip system of the crystal is allowed. Then, the special case of two orthogonal (interacting) slip systems is considered and the governing field equations are presented. In addition, the structure and symmetry of the backstress tensor is investigated from the viewpoint of thermodynamical consistency. The results will again be used in order to facilitate the set of field equations and to prepare for a robust numerical implementation.

Implementation of the nudged elastic band method in a dislocation dynamics formalism: Application to dislocation nucleation

NASA Astrophysics Data System (ADS)

Geslin, Pierre-Antoine; Gatti, Riccardo; Devincre, Benoit; Rodney, David

2017-11-01

We propose a framework to study thermally-activated processes in dislocation glide. This approach is based on an implementation of the nudged elastic band method in a nodal mesoscale dislocation dynamics formalism. Special care is paid to develop a variational formulation to ensure convergence to well-defined minimum energy paths. We also propose a methodology to rigorously parametrize the model on atomistic data, including elastic, core and stacking fault contributions. To assess the validity of the model, we investigate the homogeneous nucleation of partial dislocation loops in aluminum, recovering the activation energies and loop shapes obtained with atomistic calculations and extending these calculations to lower applied stresses. The present method is also applied to heterogeneous nucleation on spherical inclusions.

Fast Fourier transform discrete dislocation dynamics

NASA Astrophysics Data System (ADS)

Graham, J. T.; Rollett, A. D.; LeSar, R.

2016-12-01

Discrete dislocation dynamics simulations have been generally limited to modeling systems described by isotropic elasticity. Effects of anisotropy on dislocation interactions, which can be quite large, have generally been ignored because of the computational expense involved when including anisotropic elasticity. We present a different formalism of dislocation dynamics in which the dislocations are represented by the deformation tensor, which is a direct measure of the slip in the lattice caused by the dislocations and can be considered as an eigenstrain. The stresses arising from the dislocations are calculated with a fast Fourier transform (FFT) method, from which the forces are determined and the equations of motion are solved. Use of the FFTs means that the stress field is only available at the grid points, which requires some adjustments/regularizations to be made to the representation of the dislocations and the calculation of the force on individual segments, as is discussed hereinafter. A notable advantage of this approach is that there is no computational penalty for including anisotropic elasticity. We review the method and apply it in a simple dislocation dynamics calculation.

The Khachaturyan theory of elastic inclusions: Recollections and results

NASA Astrophysics Data System (ADS)

Morris, J. W.

2010-01-01

In keeping with the assignment, this paper has two parts. The first is a personal recollection of my interactions with Professor Armen Khachaturyan since he first visited Berkeley in the 1970s. The second part is a review of the Khachaturyan formulation of the theory of elastic inclusions, with emphasis on results found since his classic monograph on the Theory of Structural Transformations in Solids [Wiley, New York, 1983]. The focus here is on the shapes and habits of coherent inclusions. The basic theory is presented, briefly, to exhibit Khachaturyan's results for the strain and energy within a coherent inclusion and show that the elastic energy is minimal for a thin-plate morphology with a definite habit. The preferred habit of the thin-plate inclusion is then discussed and computed for inclusions with dyadic strain (including the dislocation loop) and coherent inclusions with orthorhombic or simpler symmetry. This is followed by a discussion of the evolution of precipitate shape during coarsening, including the theory of the spontaneous splitting of coarsening precipitates and the development of octahedral or tetrahedral shapes.

Local Variability of the Peierls Barrier of Screw Dislocations in Ta-10W.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Foiles, Stephen M.

2017-10-01

It is well know that the addition of substitutional elements changes the mechanical behavior of metals, a effect referred to solid solution hardening. For body-centered-cubic (BCC) metals, screw dislocation play a key role in the mechanical properties. Here the detailed modification of the Peierls barrier for screw dislocation motion in Ta with W substitutional atoms is computing using density functional theory (DFT). A reduced order model (ROM) of the influence of W substitution on the Peierls barrier is developed. The mean field change in the Peierls barrier for a Ta10W alloy is determined and shown to be larger than anticipatedmore » based on simple elasticity considerations. The ROM could be used in future calculations to determine the local variability of the Peierls barrier and the resultant influence on the motion of screw dislocation in this alloy.« less

Change and anisotropy of elastic modulus in sheet metals due to plastic deformation

NASA Astrophysics Data System (ADS)

Ishitsuka, Yuki; Arikawa, Shuichi; Yoneyama, Satoru

2015-03-01

In this study, the effect of the plastic deformation on the microscopic structure and the anisotropy of the elastic modulus in the cold-rolled steel sheet (SPCC) is investigated. Various uniaxial plastic strains (0%, 2.5%, 5%, 7.5%, and 10%) are applied to the annealed SPCC plates, then, the specimens for the tensile tests are cut out from them. The elastic moduli in the longitudinal direction and the transverse direction to the direction that are pre-strained are measured by the tensile tests. Cyclic tests are performed to investigate the effects of the internal friction caused by the movable dislocations in the elastic deformation. Also, the movable dislocations are quantified by the boundary tracking for TEM micrographs. In addition, the behaviors of the change of the elastic modulus in the solutionized and thermal aged aluminum alloy (A5052) are measured to investigate the effect on the movable dislocations with the amount of the depositions. As a result in SPCC, the elastic moduli of the 0° and 90° directions decrease more than 10% as 10% prestrain applied. On the other hand, the elastic modulus shows the recovery behavior after the strain aging and the annealing. The movable dislocation and the internal friction show a tendency to increase as the plastic strain increases. The marked anisotropy is not observed in the elastic modulus and the internal friction. The elastic modulus in A5052 with many and few depositions decreases similarly by the plastic deformation. From the above, the movable dislocations affect the elastic modulus strongly without depending on the deposition amount. Moreover, the elastic modulus recovers after the plastic deformation by reducing the effects of them with the strain aging and the heat treatment.

Influence of Na and Ga on the electrical properties of perfect 60° dislocations in Cu(In, Ga)Se2 thin-film photovoltaic absorbers

NASA Astrophysics Data System (ADS)

Barragan-Yani, D.; Albe, K.

2018-04-01

The segregation of GaIn and NaCu to perfect 60° dislocations in CuIn1-xGaxSe2 is investigated by means of density functional theory calculations. We find that the segregation process is mainly driven by the elastic interaction of both defect types with the strain field of the dislocation. GaIn moves into the negatively strained region, while NaCu is found in the positively strained region. We show that both defects affect the electronic defect levels induced by the dislocation core and GaIn is able to passivate the β-core in CuInSe2. This result indicates that β-cores are inactive in CuIn1-xGaxSe2. NaCu; however, they do not have a significant effect on the electrical properties of the studied dislocation cores. Therefore, the experimentally observed sodium segregation to dislocation cores in CuIn1-xGaxSe2 cannot be considered as the passivation mechanism of the electrically active cores in that material.

A dislocation density-based continuum model of the anisotropic shock response of single crystal α-cyclotrimethylene trinitramine

NASA Astrophysics Data System (ADS)

Luscher, D. J.; Addessio, F. L.; Cawkwell, M. J.; Ramos, K. J.

2017-01-01

We have developed a model for the finite deformation thermomechanical response of α-cyclotrimethylene trinitramine (RDX). Our model accounts for nonlinear thermoelastic lattice deformation through a free energy-based equation of state developed by Cawkwell et al. (2016) in combination with temperature and pressure dependent elastic constants, as well as dislocation-mediated plastic slip on a set of slip systems motivated by experimental observation. The kinetics of crystal plasticity are modeled using the Orowan equation relating slip rate to dislocation density and the dislocation velocity developed by Austin and McDowell (2011), which naturally accounts for transition from thermally activated to dislocation drag limited regimes. Evolution of dislocation density is specified in terms of local ordinary differential equations reflecting dislocation-dislocation interactions. This paper presents details of the theory and parameterization of the model, followed by discussion of simulations of flyer plate impact experiments. Impact conditions explored within this combined simulation and experimental effort span shock pressures ranging from 1 to 3 GPa for four crystallographic orientations and multiple specimen thicknesses. Simulation results generated using this model are shown to be in strong agreement with velocimetry measurements from the corresponding plate impact experiments. Finally, simulation results are used to motivate conclusions about the nature of dislocation-mediated plasticity in RDX.

A combined dislocation fan-finite element (DF-FE) method for stress field simulation of dislocations emerging at the free surfaces of 3D elastically anisotropic crystals

NASA Astrophysics Data System (ADS)

Balusu, K.; Huang, H.

2017-04-01

A combined dislocation fan-finite element (DF-FE) method is presented for efficient and accurate simulation of dislocation nodal forces in 3D elastically anisotropic crystals with dislocations intersecting the free surfaces. The finite domain problem is decomposed into half-spaces with singular traction stresses, an infinite domain, and a finite domain with non-singular traction stresses. As such, the singular and non-singular parts of the traction stresses are addressed separately; the dislocation fan (DF) method is introduced to balance the singular traction stresses in the half-spaces while the finite element method (FEM) is employed to enforce the non-singular boundary conditions. The accuracy and efficiency of the DF method is demonstrated using a simple isotropic test case, by comparing it with the analytical solution as well as the FEM solution. The DF-FE method is subsequently used for calculating the dislocation nodal forces in a finite elastically anisotropic crystal, which produces dislocation nodal forces that converge rapidly with increasing mesh resolutions. In comparison, the FEM solution fails to converge, especially for nodes closer to the surfaces.

Elastic fields, dipole tensors, and interaction between self-interstitial atom defects in bcc transition metals

NASA Astrophysics Data System (ADS)

Dudarev, S. L.; Ma, Pui-Wai

2018-03-01

Density functional theory (DFT) calculations show that self-interstitial atom (SIA) defects in nonmagnetic body-centered-cubic (bcc) metals adopt strongly anisotropic configurations, elongated in the <111 > direction [S. Han et al., Phys. Rev. B 66, 220101 (2002), 10.1103/PhysRevB.66.220101; D. Nguyen-Manh et al., Phys. Rev. B 73, 020101 (2006), 10.1103/PhysRevB.73.020101; P. M. Derlet et al., Phys. Rev. B 76, 054107 (2007), 10.1103/PhysRevB.76.054107; S. L. Dudarev, Annu. Rev. Mater. Res. 43, 35 (2013), 10.1146/annurev-matsci-071312-121626]. Elastic distortions, associated with such anisotropic atomic structures, appear similar to distortions around small prismatic dislocation loops, although the extent of this similarity has never been quantified. We derive analytical formulas for the dipole tensors of SIA defects, which show that, in addition to the prismatic dislocation looplike character, the elastic field of a SIA defect also has a significant isotropic dilatation component. Using empirical potentials and DFT calculations, we parametrize dipole tensors of <111 > defects for all the nonmagnetic bcc transition metals. This enables a quantitative evaluation of the energy of elastic interaction between the defects, which also shows that in a periodic three-dimensional simple cubic arrangement of crowdions, long-range elastic interactions between a defect and all its images favor a <111 > orientation of the defect.

Dislocation loop models for the high temperature creep of Al-5.5 at.% Mg alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

An, S.U.; Blum, W.

1995-04-15

The Al-5.5 at.% Mg alloy is a typical class I type solution hardened material. The dislocation loop models proposed by Orlova and Cadek and by Mills et al., respectively are widely applied models in describing the high temperature creep behavior of the Al-5.5 at.% Mg alloy. These models, however, are in conflict in explaining dislocation loop theory. Orlova and Cadek suggest that in class I solution hardened alloys screw dislocations are relatively easier to migrate because they are subject to a smaller resistance in motion than edge dislocations. Consequently, the migration rate of screw dislocations is higher than that ofmore » edge dislocations. However, since dislocation loops are composed of both screw and edge components, the overall migration rate of screw dislocations are reduced by that of the edge component. Mills et al. on the contrary, used a different dislocation loop model. As the loop grows while it moves, it takes on the shape of an ellipsoid due to the unbalance in growth rate, the score segment moving much easier than the edge. Therefore, as shown in the results of the stress reduction tests, rapid elastic ({Delta} {var_epsilon}{sub el}) and anelastic contraction ({Delta} {var_epsilon}{sub an}) occur simultaneously directly after stress reduction. During the movement of the dislocation loop, the screw component hence becomes severely curved, while the edge component retains a straight line. This has been proved through dislocation structure observations by TEM.« less

Generalized continuum modeling of scale-dependent crystalline plasticity

NASA Astrophysics Data System (ADS)

Mayeur, Jason R.

The use of metallic material systems (e.g. pure metals, alloys, metal matrix composites) in a wide range of engineering applications from medical devices to electronic components to automobiles continues to motivate the development of improved constitutive models to meet increased performance demands while minimizing cost. Emerging technologies often incorporate materials in which the dominant microstructural features have characteristic dimensions reaching into the submicron and nanometer regime. Metals comprised of such fine microstructures often exhibit unique and size-dependent mechanical response, and classical approaches to constitutive model development at engineering (continuum) scales, being local in nature, are inadequate for describing such behavior. Therefore, traditional modeling frameworks must be augmented and/or reformulated to account for such phenomena. Crystal plasticity constitutive models have proven quite capable of capturing first-order microstructural effects such as grain orientation (elastic/plastic anisotropy), grain morphology, phase distribution, etc. on the deformation behavior of both single and polycrystals, yet suffer from the same limitations as other local continuum theories with regard to capturing scale-dependent mechanical response. This research is focused on the development, numerical implementation, and application of a generalized (nonlocal) theory of single crystal plasticity capable of describing the scale-dependent mechanical response of both single and polycrystalline metals that arises as a result of heterogeneous deformation. This research developed a dislocation-based theory of micropolar single crystal plasticity. The majority of nonlocal crystal plasticity theories are predicated on the connection between gradients of slip and geometrically necessary dislocations. Due to the diversity of existing nonlocal crystal plasticity theories, a review, summary, and comparison of representative model classes is presented in Chapter 2 from a unified dislocation-based perspective. The discussion of the continuum crystal plasticity theories is prefaced by a brief review of discrete dislocation plasticity, which facilitates the comparison of certain model aspects and also serves as a reference for latter segments of the research which make connection to this constitutive description. Chapter 2 has utility not only as a literature review, but also as a synthesis and analysis of competing and alternative nonlocal crystal plasticity modeling strategies from a common viewpoint. The micropolar theory of single crystal plasticity is presented in Chapter 3. Two different types of flow criteria are considered - the so-called single and multicriterion theories, and several variations of the dislocation-based strength models appropriate for each theory are presented and discussed. The numerical implementation of the two-dimensional version of the constitutive theory is given in Chapter 4. A user element subroutine for the implicit commercial finite element code Abaqus/Standard is developed and validated through the solution of initial-boundary value problems with closed-form solutions. Convergent behavior of the subroutine is also demonstrated for an initial-boundary value problem exhibiting strain localization. In Chapter 5, the models are employed to solve several standard initial-boundary value problems for heterogeneously deforming single crystals including simple shearing of a semi-infinite constrained thin film, pure bending of thin films, and simple shearing of a metal matrix composite with elastic inclusions. The simulation results are compared to those obtained from the solution of equivalent boundary value problems using discrete dislocation dynamics and alternative generalized crystal plasticity theories. Comparison and calibration with respect to the former provides guidance in the specification of non-traditional material parameters that arise in the model formulation and demonstrates its effectiveness at capturing the heterogeneous deformation fields and size-dependent mechanical behavior predicted by a finer scale constitutive description. Finally, in Chapter 6, the models are applied to simulate the deformation behavior of small polycrystalline ensembles. Several grain boundary constitutive descriptions are explored and the response characteristics are analyzed with respect to experimental observations as well as results obtained from discrete dislocation dynamics and alternative nonlocal crystal plasticity theories. Particular attention is focused on how the various grain boundary descriptions serve to either locally concentrate or diffuse deformation heterogeneity as a function of grain size.

Interatomic potential to study plastic deformation in tungsten-rhenium alloys

NASA Astrophysics Data System (ADS)

Bonny, G.; Bakaev, A.; Terentyev, D.; Mastrikov, Yu. A.

2017-04-01

In this work, an interatomic potential for the W-Re system is fitted and benchmarked against experimental and density functional theory (DFT) data, of which part are generated in this work. Having in mind studies related to the plasticity of W-Re alloys under irradiation, emphasis is put on fitting point-defect properties, elastic constants, and dislocation properties. The developed potential can reproduce the mechanisms responsible for the experimentally observed softening, i.e., decreasing shear moduli, decreasing Peierls barrier, and asymmetric screw dislocation core structure with increasing Re content in W-Re solid solutions. In addition, the potential predicts elastic constants in reasonable agreement with DFT data for the phases forming non-coherent precipitates (σ- and χ-phases) in W-Re alloys. In addition, the mechanical stability of the different experimentally observed phases is verified in the temperature range of interest (700-1500 K). As a conclusion, the presented potential provides an excellent tool to study plasticity in W-Re alloys at the atomic level.

Fast algorithms for evaluating the stress field of dislocation lines in anisotropic elastic media

NASA Astrophysics Data System (ADS)

Chen, C.; Aubry, S.; Oppelstrup, T.; Arsenlis, A.; Darve, E.

2018-06-01

In dislocation dynamics (DD) simulations, the most computationally intensive step is the evaluation of the elastic interaction forces among dislocation ensembles. Because the pair-wise interaction between dislocations is long-range, this force calculation step can be significantly accelerated by the fast multipole method (FMM). We implemented and compared four different methods in isotropic and anisotropic elastic media: one based on the Taylor series expansion (Taylor FMM), one based on the spherical harmonics expansion (Spherical FMM), one kernel-independent method based on the Chebyshev interpolation (Chebyshev FMM), and a new kernel-independent method that we call the Lagrange FMM. The Taylor FMM is an existing method, used in ParaDiS, one of the most popular DD simulation softwares. The Spherical FMM employs a more compact multipole representation than the Taylor FMM does and is thus more efficient. However, both the Taylor FMM and the Spherical FMM are difficult to derive in anisotropic elastic media because the interaction force is complex and has no closed analytical formula. The Chebyshev FMM requires only being able to evaluate the interaction between dislocations and thus can be applied easily in anisotropic elastic media. But it has a relatively large memory footprint, which limits its usage. The Lagrange FMM was designed to be a memory-efficient black-box method. Various numerical experiments are presented to demonstrate the convergence and the scalability of the four methods.

A dislocation density-based continuum model of the anisotropic shock response of single crystal α-cyclotrimethylene trinitramine

DOE PAGES

Luscher, Darby Jon; Addessio, Francis L.; Cawkwell, Marc Jon; ...

2017-01-01

Here, we have developed a model for the finite deformation thermomechanical response of α-cyclotrimethylene trinitramine (RDX). Our model accounts for nonlinear thermoelastic lattice deformation through a free energy-based equation of state developed by Cawkwell et al. (2016) in combination with temperature and pressure dependent elastic constants, as well as dislocation-mediated plastic slip on a set of slip systems motivated by experimental observation. The kinetics of crystal plasticity are modeled using the Orowan equation relating slip rate to dislocation density and the dislocation velocity developed by Austin and McDowell (2011), which naturally accounts for transition from thermally activated to dislocation dragmore » limited regimes. Evolution of dislocation density is specified in terms of local ordinary differential equations reflecting dislocation–dislocation interactions. This paper presents details of the theory and parameterization of the model, followed by discussion of simulations of flyer plate impact experiments. Impact conditions explored within this combined simulation and experimental effort span shock pressures ranging from 1 to 3 GPa for four crystallographic orientations and multiple specimen thicknesses. Simulation results generated using this model are shown to be in strong agreement with velocimetry measurements from the corresponding plate impact experiments. Finally, simulation results are used to motivate conclusions about the nature of dislocation-mediated plasticity in RDX.« less

Influence of pore pressure change on coseismic volumetric strain

USGS Publications Warehouse

Wang, Chi-Yuen; Barbour, Andrew J.

2017-01-01

Coseismic strain is fundamentally important for understanding crustal response to changes of stress after earthquakes. The elastic dislocation model has been widely applied to interpreting observed shear deformation caused by earthquakes. The application of the same theory to interpreting volumetric strain, however, has met with difficulty, especially in the far field of earthquakes. Predicted volumetric strain with dislocation model often differs substantially, and sometimes of opposite signs, from observed coseismic volumetric strains. The disagreement suggests that some processes unaccounted for by the dislocation model may occur during earthquakes. Several hypotheses have been suggested, but none have been tested quantitatively. In this paper we first examine published data to highlight the difference between the measured and calculated static coseismic volumetric strains; we then use these data to provide quantitative test of the model that the disagreement may be explained by the change of pore pressure in the shallow crust. The test allows us to conclude that coseismic change of pore pressure may be an important mechanism for coseismic crustal strain and, in the far field, may even be the dominant mechanism. Thus in the interpretation of observed coseismic crustal strain, one needs to account not only for the elastic strain due to fault rupture but also for the strain due to coseismic change of pore pressure.

A crystal plasticity model for slip in hexagonal close packed metals based on discrete dislocation simulations

NASA Astrophysics Data System (ADS)

Messner, Mark C.; Rhee, Moono; Arsenlis, Athanasios; Barton, Nathan R.

2017-06-01

This work develops a method for calibrating a crystal plasticity model to the results of discrete dislocation (DD) simulations. The crystal model explicitly represents junction formation and annihilation mechanisms and applies these mechanisms to describe hardening in hexagonal close packed metals. The model treats these dislocation mechanisms separately from elastic interactions among populations of dislocations, which the model represents through a conventional strength-interaction matrix. This split between elastic interactions and junction formation mechanisms more accurately reproduces the DD data and results in a multi-scale model that better represents the lower scale physics. The fitting procedure employs concepts of machine learning—feature selection by regularized regression and cross-validation—to develop a robust, physically accurate crystal model. The work also presents a method for ensuring the final, calibrated crystal model respects the physical symmetries of the crystal system. Calibrating the crystal model requires fitting two linear operators: one describing elastic dislocation interactions and another describing junction formation and annihilation dislocation reactions. The structure of these operators in the final, calibrated model reflect the crystal symmetry and slip system geometry of the DD simulations.

Three-dimensional interaction and movements of various dislocations in anisotropic bicrystals with semicoherent interfaces

NASA Astrophysics Data System (ADS)

Vattré, A.; Pan, E.

2018-07-01

Lattice dislocation interactions with semicoherent interfaces are investigated by means of anisotropic field solutions in metallic homo- and hetero-structures. The present framework is based on the mathematically elegant and computationally powerful Stroh formalism, combining further with the Fourier integral and series transforms, which cover different shapes and dimensions of various extrinsic and intrinsic dislocations. Two-dimensional equi-spaced arrays of straight lattice dislocations and finite arrangements of piled-up dislocations as well as any polygonal and elliptical dislocation loops in three dimensions are considered using a superposition scheme. Self, image and Peach-Koehler forces are derived to compute the equilibrium dislocation positions in pile-ups, including the internal structures and energetics of the interfacial dislocation networks. For illustration, the effects due to the elastic and misfit mismatches are discussed in the pure misfit Au/Cu and heterophase Cu/Nb systems, while discrepancies resulting from the approximation of isotropic elasticity are clearly exhibited. These numerical examples not only feature and enhance the existing works in anisotropic bimaterials, but also promote a novel opportunity of analyzing the equilibrium shapes of planar glide dislocation loops at nanoscale.

Continuum elastic theory for dynamics of surfaces and interfaces

NASA Astrophysics Data System (ADS)

Pykhtin, Michael V.

This thesis is divided into three parts, different by problems they deal with, but similar by underlying assumptions (crystals are treated as classical elastic anisotropic media) and methods of solving (vibrational Green's functions). (i) In the first part we compute the density of vibrational modes for a vicinal Ni(977) surface. In the spectrum we find new step induced modes which are compared with recently reported experimental data for Ni(977) surface obtained by inelastic atom scattering. (ii) In the second part we study damping of low-frequency adsorbate vibrations via resonant coupling to the substrate phonons. Our theory provides a general expression for the vibrational damping rate which can be applied to widely varying coverages and arbitrary overlayer structures. The damping rates predicted by our theory for CO on Cu(100) are in excellent quantitative agreement with available experimental data. (iii) In the third part we develop a theory for the density of vibrational modes at the surface of a thin film of one anisotropic solid an on top of the other. We compute the density of modes for a GaN film on a sapphire substrate for a wide range of wavevector and frequency, and obtain dispersion maps which contain waves trapped between the surface of the film and the interface. Two families of the trapped modes were observed: Love waves and generalized Lamb waves. We also study the effect of threading edge dislocations (majority of defects in the GaN film) on the trapped modes. At the experimental dislocation density the effect is negligible.

Scale transition using dislocation dynamics and the nudged elastic band method

DOE PAGES

Sobie, Cameron; Capolungo, Laurent; McDowell, David L.; ...

2017-08-01

Microstructural features such as precipitates or irradiation-induced defects impede dislocation motion and directly influence macroscopic mechanical properties such as yield point and ductility. In dislocation-defect interactions both atomic scale and long range elastic interactions are involved. Thermally assisted dislocation bypass of obstacles occurs when thermal fluctuations and driving stresses contribute sufficient energy to overcome the energy barrier. The Nudged Elastic Band (NEB) method is typically used in the context of atomistic simulations to quantify the activation barriers for a given reaction. In this work, the NEB method is generalized to coarse-grain continuum representations of evolving microstructure states beyond the discretemore » particle descriptions of first principles and atomistics. The method we employed enables the calculation of activation energies for a View the MathML source glide dislocation bypassing a [001] self-interstitial atom loop of size in the range of 4-10 nm with a spacing larger than 150nm in α-iron for a range of applied stresses and interaction geometries. This study is complemented by a comparison between atomistic and continuum based prediction of barriers.« less

Nonlocal elasticity tensors in dislocation and disclination cores

DOE PAGES

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

2017-01-07

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 andmore » 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.« less

Enhancing elastic stress relaxation in SiGe/Si heterostructures by Si pillar necking

NASA Astrophysics Data System (ADS)

Isa, F.; Salvalaglio, M.; Arroyo Rojas Dasilva, Y.; Jung, A.; Isella, G.; Erni, R.; Timotijevic, B.; Niedermann, P.; Gröning, P.; Montalenti, F.; von Känel, H.

2016-10-01

We demonstrate that the elastic stress relaxation mechanism in micrometre-sized, highly mismatched heterostructures may be enhanced by employing patterned substrates in the form of necked pillars, resulting in a significant reduction of the dislocation density. Compositionally graded Si1-xGex crystals were grown by low energy plasma enhanced chemical vapour deposition, resulting in tens of micrometres tall, three-dimensional heterostructures. The patterned Si(001) substrates consist of micrometre-sized Si pillars either with the vertical {110} or isotropically under-etched sidewalls resulting in narrow necks. The structural properties of these heterostructures were investigated by defect etching and transmission electron microscopy. We show that the dislocation density, and hence the competition between elastic and plastic stress relaxation, is highly influenced by the shape of the substrate necks and their proximity to the mismatched epitaxial material. The SiGe dislocation density increases monotonically with the crystal width but is significantly reduced by the substrate under-etching. The drop in dislocation density is interpreted as a direct effect of the enhanced compliance of the under-etched Si pillars, as confirmed by the three-dimensional finite element method simulations of the elastic energy distribution.

A FFT-based formulation for efficient mechanical fields computation in isotropic and anisotropic periodic discrete dislocation dynamics

NASA Astrophysics Data System (ADS)

Bertin, N.; Upadhyay, M. V.; Pradalier, C.; Capolungo, L.

2015-09-01

In this paper, we propose a novel full-field approach based on the fast Fourier transform (FFT) technique to compute mechanical fields in periodic discrete dislocation dynamics (DDD) simulations for anisotropic materials: the DDD-FFT approach. By coupling the FFT-based approach to the discrete continuous model, the present approach benefits from the high computational efficiency of the FFT algorithm, while allowing for a discrete representation of dislocation lines. It is demonstrated that the computational time associated with the new DDD-FFT approach is significantly lower than that of current DDD approaches when large number of dislocation segments are involved for isotropic and anisotropic elasticity, respectively. Furthermore, for fine Fourier grids, the treatment of anisotropic elasticity comes at a similar computational cost to that of isotropic simulation. Thus, the proposed approach paves the way towards achieving scale transition from DDD to mesoscale plasticity, especially due to the method’s ability to incorporate inhomogeneous elasticity.

Renormalization group study of the melting of a two-dimensional system of collapsing hard disks

NASA Astrophysics Data System (ADS)

Ryzhov, V. N.; Tareyeva, E. E.; Fomin, Yu. D.; Tsiok, E. N.; Chumakov, E. S.

2017-06-01

We consider the melting of a two-dimensional system of collapsing hard disks (a system with a hard-disk potential to which a repulsive step is added) for different values of the repulsive-step width. We calculate the system phase diagram by the method of the density functional in crystallization theory using equations of the Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young theory to determine the lines of stability with respect to the dissociation of dislocation pairs, which corresponds to the continuous transition from the solid to the hexatic phase. We show that the crystal phase can melt via a continuous transition at low densities (the transition to the hexatic phase) with a subsequent transition from the hexatic phase to the isotropic liquid and via a first-order transition. Using the solution of renormalization group equations with the presence of singular defects (dislocations) in the system taken into account, we consider the influence of the renormalization of the elastic moduli on the form of the phase diagram.

Molecular dynamics study on the evolution of interfacial dislocation network and mechanical properties of Ni-based single crystal superalloys

NASA Astrophysics Data System (ADS)

Li, Nan-Lin; Wu, Wen-Ping; Nie, Kai

2018-05-01

The evolution of misfit dislocation network at γ /γ‧ phase interface and tensile mechanical properties of Ni-based single crystal superalloys at various temperatures and strain rates are studied by using molecular dynamics (MD) simulations. From the simulations, it is found that with the increase of loading, the dislocation network effectively inhibits dislocations emitted in the γ matrix cutting into the γ‧ phase and absorbs the matrix dislocations to strengthen itself which increases the stability of structure. Under the influence of the temperature, the initial mosaic structure of dislocation network gradually becomes irregular, and the initial misfit stress and the elastic modulus slowly decline as temperature increasing. On the other hand, with the increase of the strain rate, it almost has no effect on the elastic modulus and the way of evolution of dislocation network, but contributes to the increases of the yield stress and tensile strength. Moreover, tension-compression asymmetry of Ni-based single crystal superalloys is also presented based on MD simulations.

Dislocation dynamics and crystal plasticity in the phase-field crystal model

NASA Astrophysics Data System (ADS)

Skaugen, Audun; Angheluta, Luiza; Viñals, Jorge

2018-02-01

A phase-field model of a crystalline material is introduced to develop the necessary theoretical framework to study plastic flow due to dislocation motion. We first obtain the elastic stress from the phase-field crystal free energy under weak distortion and show that it obeys the stress-strain relation of linear elasticity. We focus next on dislocations in a two-dimensional hexagonal lattice. They are composite topological defects in the weakly nonlinear amplitude equation expansion of the phase field, with topological charges given by the standard Burgers vector. This allows us to introduce a formal relation between the dislocation velocity and the evolution of the slowly varying amplitudes of the phase field. Standard dissipative dynamics of the phase-field crystal model is shown to determine the velocity of the dislocations. When the amplitude expansion is valid and under additional simplifications, we find that the dislocation velocity is determined by the Peach-Koehler force. As an application, we compute the defect velocity for a dislocation dipole in two setups, pure glide and pure climb, and compare it with the analytical predictions.

Elastic precursor wave decay in shock-compressed aluminum over a wide range of temperature

NASA Astrophysics Data System (ADS)

Austin, Ryan A.

2018-01-01

The effect of temperature on the dynamic flow behavior of aluminum is considered in the context of precursor wave decay measurements and simulations. In this regard, a dislocation-based model of high-rate metal plasticity is brought into agreement with previous measurements of evolving wave profiles at 300 to 933 K, wherein the amplification of the precursor structure with temperature arises naturally from the dislocation mechanics treatment. The model suggests that the kinetics of inelastic flow and stress relaxation are governed primarily by phonon scattering and radiative damping (sound wave emission from dislocation cores), both of which intensify with temperature. The manifestation of these drag effects is linked to low dislocation density ahead of the precursor wave and the high mobility of dislocations in the face-centered cubic lattice. Simulations performed using other typical models of shock wave plasticity do not reproduce the observed temperature-dependence of elastic/plastic wave structure.

Elastic Green’s Function in Anisotropic Bimaterials Considering Interfacial Elasticity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Juan, Pierre -Alexandre; Dingreville, Remi

Here, the two-dimensional elastic Green’s function is calculated for a general anisotropic elastic bimaterial containing a line dislocation and a concentrated force while accounting for the interfacial structure by means of a generalized interfacial elasticity paradigm. The introduction of the interface elasticity model gives rise to boundary conditions that are effectively equivalent to those of a weakly bounded interface. The equations of elastic equilibrium are solved by complex variable techniques and the method of analytical continuation. The solution is decomposed into the sum of the Green’s function corresponding to the perfectly bonded interface and a perturbation term corresponding to themore » complex coupling nature between the interface structure and a line dislocation/concentrated force. Such construct can be implemented into the boundary integral equations and the boundary element method for analysis of nano-layered structures and epitaxial systems where the interface structure plays an important role.« less

Elastic Green’s Function in Anisotropic Bimaterials Considering Interfacial Elasticity

DOE PAGES

Juan, Pierre -Alexandre; Dingreville, Remi

2017-09-13

Here, the two-dimensional elastic Green’s function is calculated for a general anisotropic elastic bimaterial containing a line dislocation and a concentrated force while accounting for the interfacial structure by means of a generalized interfacial elasticity paradigm. The introduction of the interface elasticity model gives rise to boundary conditions that are effectively equivalent to those of a weakly bounded interface. The equations of elastic equilibrium are solved by complex variable techniques and the method of analytical continuation. The solution is decomposed into the sum of the Green’s function corresponding to the perfectly bonded interface and a perturbation term corresponding to themore » complex coupling nature between the interface structure and a line dislocation/concentrated force. Such construct can be implemented into the boundary integral equations and the boundary element method for analysis of nano-layered structures and epitaxial systems where the interface structure plays an important role.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paulauskas, Tadas; Buurma, Christopher; Colegrove, Eric

Dislocation cores have long dominated the electronic and optical behaviors of semiconductor devices and detailed atomic characterization is required to further explore their effects. Miniaturization of semiconductor devices to nanometre scale also puts emphasis on a material's mechanical properties to withstand failure due to processing or operational stresses. Sessile junctions of dislocations provide barriers to propagation of mobile dislocations and may lead to work-hardening. The sessile Lomer–Cottrell and Hirth lock dislocations, two stable lowest elastic energy stair-rods, are studied in this paper. More specifically, using atomic resolution high-angle annular dark-field imaging and atomic-column-resolved X-ray spectrum imaging in an aberration-corrected scanningmore » transmission electron microscope, dislocation core structures are examined in zinc-blende CdTe. A procedure is outlined for atomic scale analysis of dislocation junctions which allows determination of their identity with specially tailored Burgers circuits and also formation mechanisms of the polar core structures based on Thompson's tetrahedron adapted to reactions of polar dislocations as they appear in CdTe and other zinc-blende solids. Strain fields associated with the dislocations calculatedviageometric phase analysis are found to be diffuse and free of `hot spots' that reflect compact structures and low elastic energy of the pure-edge stair-rods.« less

A New Code for Calculating Post-seismic Displacements as Well as Geoid and Gravity Changes on a Layered Visco-Elastic Spherical Earth

NASA Astrophysics Data System (ADS)

Gao, Shanghua; Fu, Guangyu; Liu, Tai; Zhang, Guoqing

2017-03-01

Tanaka et al. (Geophys J Int 164:273-289, 2006, Geophys J Int 170:1031-1052, 2007) proposed the spherical dislocation theory (SDT) in a spherically symmetric, self-gravitating visco-elastic earth model. However, to date there have been no reports on easily adopted, widely used software that utilizes Tanaka's theory. In this study we introduce a new code to compute post-seismic deformations (PSD), including displacements as well as Geoid and gravity changes, caused by a seismic source at any position. This new code is based on the above-mentioned SDT. The code consists of two parts. The first part is the numerical frame of the dislocation Green function (DGF), which contains a set of two-dimensional discrete numerical frames of DGFs on a symmetric earth model. The second part is an integration function, which performs bi-quadratic spline interpolation operations on the frame of DGFs. The inputs are the information on the seismic fault models and the information on the observation points. After the user prepares the inputs in a file with given format, the code will automatically compute the PSD. As an example, we use the new code to calculate the co-seismic displacements caused by the Tohoku-Oki Mw 9.0 earthquake. We compare the result with observations and the result from a full-elastic SDT, and we found that the Root Mean Square error between the calculated and observed results is 7.4 cm. This verifies the suitability of our new code. Finally, we discuss several issues that require attention when using the code, which should be helpful for users.

Comparative analysis of strain fields in layers of step-graded metamorphic buffers of various designs

NASA Astrophysics Data System (ADS)

Aleshin, A. N.; Bugaev, A. S.; Ruban, O. A.; Tabachkova, N. Yu.; Shchetinin, I. V.

2017-10-01

Spatial distribution of residual elastic strain in the layers of two step-graded metamophic buffers of various designs, grown by molecular beam epitaxy from ternary InxAl1-xAs solutions on GaAs(001) substrates, is obtained using reciprocal space mapping by three-axis X-ray diffractometry and the linear theory of elasticity. The difference in the design of the buffers enabled the formation of a dislocation-free layer with different thickness in each of the heterostructures, which was the main basis of this study. It is shown that, in spite of the different design of graded metamorphic buffers, the nature of strain fields in them is the same, and the residual elastic strains in the final elements of both buffers adjusted for the effect of work hardening subject to the same phenomenological law, which describes the strain relief process in single-layer heterostructures.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mandal, A.; Gupta, Y. M.

To understand the elastic-plastic deformation response of shock-compressed molybdenum (Mo) – a body-centered cubic (BCC) metal, single crystal samples were shocked along the [100] crystallographic orientation to an elastic impact stress of 12.5 GPa. Elastic-plastic wave profiles, measured at different propagation distances ranging between ~0.23 to 2.31 mm using laser interferometry, showed a time-dependent material response. Within experimental scatter, the measured elastic wave amplitudes were nearly constant over the propagation distances examined. These data point to a large and rapid elastic wave attenuation near the impact surface, before reaching a threshold value (elastic limit) of ~3.6 GPa. Numerical simulations ofmore » the measured wave profiles, performed using a dislocation-based continuum model, suggested that {110}<111> and/or {112}<111> slip systems are operative under shock loading. In contrast to shocked metal single crystals with close-packed structures, the measured wave profiles in Mo single crystals could not be explained in terms of dislocation multiplication alone. A dislocation generation mechanism, operative for shear stresses larger than that at the elastic limit, was required to model the rapid elastic wave attenuation and to provide a good overall match to the measured wave profiles. However, the physical basis for this mechanism was not established for the high-purity single crystal samples used in this study. As a result, the numerical simulations also suggested that Mo single crystals do not work harden significantly under shock loading in contrast to the behavior observed under quasi-static loading.« less

Automated identification and indexing of dislocations in crystal interfaces

DOE PAGES

Stukowski, Alexander; Bulatov, Vasily V.; Arsenlis, Athanasios

2012-10-31

Here, we present a computational method for identifying partial and interfacial dislocations in atomistic models of crystals with defects. Our automated algorithm is based on a discrete Burgers circuit integral over the elastic displacement field and is not limited to specific lattices or dislocation types. Dislocations in grain boundaries and other interfaces are identified by mapping atomic bonds from the dislocated interface to an ideal template configuration of the coherent interface to reveal incompatible displacements induced by dislocations and to determine their Burgers vectors. Additionally, the algorithm generates a continuous line representation of each dislocation segment in the crystal andmore » also identifies dislocation junctions.« less

Elastic-plastic deformation of molybdenum single crystals shocked along [100

DOE PAGES

Mandal, A.; Gupta, Y. M.

2017-01-24

To understand the elastic-plastic deformation response of shock-compressed molybdenum (Mo) – a body-centered cubic (BCC) metal, single crystal samples were shocked along the [100] crystallographic orientation to an elastic impact stress of 12.5 GPa. Elastic-plastic wave profiles, measured at different propagation distances ranging between ~0.23 to 2.31 mm using laser interferometry, showed a time-dependent material response. Within experimental scatter, the measured elastic wave amplitudes were nearly constant over the propagation distances examined. These data point to a large and rapid elastic wave attenuation near the impact surface, before reaching a threshold value (elastic limit) of ~3.6 GPa. Numerical simulations ofmore » the measured wave profiles, performed using a dislocation-based continuum model, suggested that {110}<111> and/or {112}<111> slip systems are operative under shock loading. In contrast to shocked metal single crystals with close-packed structures, the measured wave profiles in Mo single crystals could not be explained in terms of dislocation multiplication alone. A dislocation generation mechanism, operative for shear stresses larger than that at the elastic limit, was required to model the rapid elastic wave attenuation and to provide a good overall match to the measured wave profiles. However, the physical basis for this mechanism was not established for the high-purity single crystal samples used in this study. As a result, the numerical simulations also suggested that Mo single crystals do not work harden significantly under shock loading in contrast to the behavior observed under quasi-static loading.« less

The application of an atomistic J-integral to a ductile crack.

PubMed

Zimmerman, Jonathan A; Jones, Reese E

2013-04-17

In this work we apply a Lagrangian kernel-based estimator of continuum fields to atomic data to estimate the J-integral for the emission dislocations from a crack tip. Face-centered cubic (fcc) gold and body-centered cubic (bcc) iron modeled with embedded atom method (EAM) potentials are used as example systems. The results of a single crack with a K-loading compare well to an analytical solution from anisotropic linear elastic fracture mechanics. We also discovered that in the post-emission of dislocations from the crack tip there is a loop size-dependent contribution to the J-integral. For a system with a finite width crack loaded in simple tension, the finite size effects for the systems that were feasible to compute prevented precise agreement with theory. However, our results indicate that there is a trend towards convergence.

Coseismic changes of gravitational potential energy induced by global earthquakes based on spherical-Earth elastic dislocation theory

NASA Astrophysics Data System (ADS)

Xu, Changyi; Chao, B. Fong

2017-05-01

We compute the coseismic gravitational potential energy Eg change using the spherical-Earth elastic dislocation theory and either the fault model treated as a point source or the finite fault model. The rate of the accumulative Eg loss produced by historical earthquakes from 1976 to 2016 (about 42,000 events) using the Global Centroid Moment Tensor Solution catalogue is estimated to be on the order of -2.1 × 1020 J/a, or -6.7 TW (1 TW = 1012 W), amounting to 15% in the total terrestrial heat flow. The energy loss is dominated by the thrust faulting, especially the megathrust earthquakes such as the 2004 Sumatra earthquake (Mw 9.0) and the 2011 Tohoku-Oki earthquake (Mw 9.1). It is notable that the very deep focus events, the 1994 Bolivia earthquake (Mw 8.2) and the 2013 Okhotsk earthquake (Mw 8.3), produced significant overall coseismic Eg gain according to our calculation. The accumulative coseismic Eg is mainly lost in the mantle of the Earth and also lost in the core of the Earth but with a relatively smaller magnitude. By contrast, the crust of the Earth gains gravitational potential energy cumulatively because of the coseismic deformations. We further investigate the tectonic signature in the coseismic crustal Eg changes in some complex tectonic zone, such as Taiwan region and the northeastern margin of the Tibetan Plateau. We found that the coseismic Eg change is consistent with the regional tectonic character.

Ab initio calculations of ideal strength and lattice instability in W-Ta and W-Re alloys

NASA Astrophysics Data System (ADS)

Yang, Chaoming; Qi, Liang

2018-01-01

An important theoretical criterion to evaluate the ductility of metals with a body-centered cubic (bcc) lattice is the mechanical failure mode of their perfect crystals under tension along <;100 >; directions. When the tensile stress reaches the ideal tensile strength, the pure W crystal fails by a cleavage fracture along the {100 } plane so that it is intrinsically brittle. To discover the strategy to improve its ductility, we performed density functional theory and density functional perturbation theory calculations to study the ideal tensile strength and the lattice instability under <100 > tension for both W-Ta and W-Re alloys. Anisotropic linear elastic fracture mechanics (LEFM) theory and Rice's criterion were also applied to analyze the mechanical instability at the crack tip under <100 > tension based on the competition between cleavage propagation and dislocation emission. The results show that the intrinsic ductility can be achieved in both W-Ta and W-Re, however, by different mechanisms. Even though W-Ta alloys with low Ta concentrations are still intrinsically brittle, the intrinsic ductility of W-Ta alloys with high Ta concentrations is promoted by elastic shear instability before the cleavage failure. The intrinsic ductility of W-Re alloys is produced by unstable transverse phonon waves before the cleavage failure, and the corresponding phonon mode is related to the generation of 1/2 <111 > {2 ¯11 } dislocation in bcc crystals. The ideal tensile calculations, phonon analyses, and anisotropic LEFM examinations are mutually consistent in the evaluation of intrinsic ductility. These results bring us physical insights on the ductility-brittle mechanisms of W alloys under extreme stress conditions.

Te homogeneous precipitation in Ge dislocation loop vicinity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perrin Toinin, J.; Portavoce, A., E-mail: alain.portavoce@im2np.fr; Texier, M.

2016-06-06

High resolution microscopies were used to study the interactions of Te atoms with Ge dislocation loops, after a standard n-type doping process in Ge. Te atoms neither segregate nor precipitate on dislocation loops, but form Te-Ge clusters at the same depth as dislocation loops, in contradiction with usual dopant behavior and thermodynamic expectations. Atomistic kinetic Monte Carlo simulations show that Te atoms are repulsed from dislocation loops due to elastic interactions, promoting homogeneous Te-Ge nucleation between dislocation loops. This phenomenon is enhanced by coulombic interactions between activated Te{sup 2+} or Te{sup 1+} ions.

Theory, modeling, and simulation of structural and functional materials: Micromechanics, microstructures, and properties

NASA Astrophysics Data System (ADS)

Jin, Yongmei

In recent years, theoretical modeling and computational simulation of microstructure evolution and materials property has been attracting much attention. While significant advances have been made, two major challenges remain. One is the integration of multiple physical phenomena for simulation of complex materials behavior, the other is the bridging over multiple length and time scales in materials modeling and simulation. The research presented in this Thesis is focused mainly on tackling the first major challenge. In this Thesis, a unified Phase Field Microelasticity (PFM) approach is developed. This approach is an advanced version of the phase field method that takes into account the exact elasticity of arbitrarily anisotropic, elastically and structurally inhomogeneous systems. The proposed theory and models are applicable to infinite solids, elastic half-space, and finite bodies with arbitrary-shaped free surfaces, which may undergo various concomitant physical processes. The Phase Field Microelasticity approach is employed to formulate the theories and models of martensitic transformation, dislocation dynamics, and crack evolution in single crystal and polycrystalline solids. It is also used to study strain relaxation in heteroepitaxial thin films through misfit dislocation and surface roughening. Magnetic domain evolution in nanocrystalline thin films is also investigated. Numerous simulation studies are performed. Comparison with analytical predictions and experimental observations are presented. Agreement verities the theory and models as realistic simulation tools for computational materials science and engineering. The same Phase Field Microelasticity formalism of individual models of different physical phenomena makes it easy to integrate multiple physical processes into one unified simulation model, where multiple phenomena are treated as various relaxation modes that together act as one common cooperative phenomenon. The model does not impose a priori constraints on possible microstructure evolution paths. This gives the model predicting power, where material system itself "chooses" the optimal path for multiple processes. The advances made in this Thesis present a significant step forward to overcome the first challenge, mesoscale multi-physics modeling and simulation of materials. At the end of this Thesis, the way to tackle the second challenge, bridging over multiple length and time scales in materials modeling and simulation, is discussed based on connection between the mesoscale Phase Field Microelasticity modeling and microscopic atomistic calculation as well as macroscopic continuum theory.

Finite element approximation of the fields of bulk and interfacial line defects

NASA Astrophysics Data System (ADS)

Zhang, Chiqun; Acharya, Amit; Puri, Saurabh

2018-05-01

A generalized disclination (g.disclination) theory (Acharya and Fressengeas, 2015) has been recently introduced that goes beyond treating standard translational and rotational Volterra defects in a continuously distributed defects approach; it is capable of treating the kinematics and dynamics of terminating lines of elastic strain and rotation discontinuities. In this work, a numerical method is developed to solve for the stress and distortion fields of g.disclination systems. Problems of small and finite deformation theory are considered. The fields of a single disclination, a single dislocation treated as a disclination dipole, a tilt grain boundary, a misfitting grain boundary with disconnections, a through twin boundary, a terminating twin boundary, a through grain boundary, a star disclination/penta-twin, a disclination loop (with twist and wedge segments), and a plate, a lenticular, and a needle inclusion are approximated. It is demonstrated that while the far-field topological identity of a dislocation of appropriate strength and a disclination-dipole plus a slip dislocation comprising a disconnection are the same, the latter microstructure is energetically favorable. This underscores the complementary importance of all of topology, geometry, and energetics in understanding defect mechanics. It is established that finite element approximations of fields of interfacial and bulk line defects can be achieved in a systematic and routine manner, thus contributing to the study of intricate defect microstructures in the scientific understanding and predictive design of materials. Our work also represents one systematic way of studying the interaction of (g.)disclinations and dislocations as topological defects, a subject of considerable subtlety and conceptual importance (Aharoni et al., 2017; Mermin, 1979).

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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,more » 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.« less

Displacement Fields and Self-Energies of Circular and Polygonal Dislocation Loops in Homogeneous and Layered Anisotropic Solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Yanfei; Larson, Ben C.

There are large classes of materials problems that involve the solutions of stress, displacement, and strain energy of dislocation loops in elastically anisotropic solids, including increasingly detailed investigations of the generation and evolution of irradiation induced defect clusters ranging in sizes from the micro- to meso-scopic length scales. Based on a two-dimensional Fourier transform and Stroh formalism that are ideal for homogeneous and layered anisotropic solids, we have developed robust and computationally efficient methods to calculate the displacement fields for circular and polygonal dislocation loops. Using the homogeneous nature of the Green tensor of order -1, we have shown thatmore » the displacement and stress fields of dislocation loops can be obtained by numerical quadrature of a line integral. In addition, it is shown that the sextuple integrals associated with the strain energy of loops can be represented by the product of a pre-factor containing elastic anisotropy effects and a universal term that is singular and equal to that for elastic isotropic case. Furthermore, we have found that the self-energy pre-factor of prismatic loops is identical to the effective modulus of normal contact, and the pre-factor of shear loops differs from the effective indentation modulus in shear by only a few percent. These results provide a convenient method for examining dislocation reaction energetic and efficient procedures for numerical computation of local displacements and stresses of dislocation loops, both of which play integral roles in quantitative defect analyses within combined experimental–theoretical investigations.« less

Displacement Fields and Self-Energies of Circular and Polygonal Dislocation Loops in Homogeneous and Layered Anisotropic Solids

DOE PAGES

Gao, Yanfei; Larson, Ben C.

2015-06-19

There are large classes of materials problems that involve the solutions of stress, displacement, and strain energy of dislocation loops in elastically anisotropic solids, including increasingly detailed investigations of the generation and evolution of irradiation induced defect clusters ranging in sizes from the micro- to meso-scopic length scales. Based on a two-dimensional Fourier transform and Stroh formalism that are ideal for homogeneous and layered anisotropic solids, we have developed robust and computationally efficient methods to calculate the displacement fields for circular and polygonal dislocation loops. Using the homogeneous nature of the Green tensor of order -1, we have shown thatmore » the displacement and stress fields of dislocation loops can be obtained by numerical quadrature of a line integral. In addition, it is shown that the sextuple integrals associated with the strain energy of loops can be represented by the product of a pre-factor containing elastic anisotropy effects and a universal term that is singular and equal to that for elastic isotropic case. Furthermore, we have found that the self-energy pre-factor of prismatic loops is identical to the effective modulus of normal contact, and the pre-factor of shear loops differs from the effective indentation modulus in shear by only a few percent. These results provide a convenient method for examining dislocation reaction energetic and efficient procedures for numerical computation of local displacements and stresses of dislocation loops, both of which play integral roles in quantitative defect analyses within combined experimental–theoretical investigations.« less

Triangular dislocation: an analytical, artefact-free solution

NASA Astrophysics Data System (ADS)

Nikkhoo, Mehdi; Walter, Thomas R.

2015-05-01

Displacements and stress-field changes associated with earthquakes, volcanoes, landslides and human activity are often simulated using numerical models in an attempt to understand the underlying processes and their governing physics. The application of elastic dislocation theory to these problems, however, may be biased because of numerical instabilities in the calculations. Here, we present a new method that is free of artefact singularities and numerical instabilities in analytical solutions for triangular dislocations (TDs) in both full-space and half-space. We apply the method to both the displacement and the stress fields. The entire 3-D Euclidean space {R}3 is divided into two complementary subspaces, in the sense that in each one, a particular analytical formulation fulfils the requirements for the ideal, artefact-free solution for a TD. The primary advantage of the presented method is that the development of our solutions involves neither numerical approximations nor series expansion methods. As a result, the final outputs are independent of the scale of the input parameters, including the size and position of the dislocation as well as its corresponding slip vector components. Our solutions are therefore well suited for application at various scales in geoscience, physics and engineering. We validate the solutions through comparison to other well-known analytical methods and provide the MATLAB codes.

Full elastic strain and stress tensor measurements from individual dislocation cells in copper through-Si vias

DOE PAGES

Levine, Lyle E.; Okoro, Chukwudi A.; Xu, Ruqing

2015-09-30

We report non-destructive measurements of the full elastic strain and stress tensors from individual dislocation cells distributed along the full extent of a 50 mm-long polycrystalline copper via in Si is reported. Determining all of the components of these tensors from sub-micrometre regions within deformed metals presents considerable challenges. The primary issues are ensuring that different diffraction peaks originate from the same sample volume and that accurate determination is made of the peak positions from plastically deformed samples. For these measurements, three widely separated reflections were examined from selected, individual grains along the via. The lattice spacings and peak positionsmore » were measured for multiple dislocation cell interiors within each grain and the cell-interior peaks were sorted out using the measured included angles. A comprehensive uncertainty analysis using a Monte Carlo uncertainty algorithm provided uncertainties for the elastic strain tensor and stress tensor components.« less

A FFT-based formulation for discrete dislocation dynamics in heterogeneous media

NASA Astrophysics Data System (ADS)

Bertin, N.; Capolungo, L.

2018-02-01

In this paper, an extension of the DDD-FFT approach presented in [1] is developed for heterogeneous elasticity. For such a purpose, an iterative spectral formulation in which convolutions are calculated in the Fourier space is developed to solve for the mechanical state associated with the discrete eigenstrain-based microstructural representation. With this, the heterogeneous DDD-FFT approach is capable of treating anisotropic and heterogeneous elasticity in a computationally efficient manner. In addition, a GPU implementation is presented to allow for further acceleration. As a first example, the approach is used to investigate the interaction between dislocations and second-phase particles, thereby demonstrating its ability to inherently incorporate image forces arising from elastic inhomogeneities.

X-ray scattering by edge-dislocations in the S_A phase of mesomorphic side chain polyacrylates

NASA Astrophysics Data System (ADS)

Davidson, P.; Pansu, B.; Levelut, A. M.; Strzelecki, L.

1991-01-01

The X-ray diffraction patterns of mesomorphic side chain polymers in the S_A phase present diffuse streaks in shape of “butterfly wings”. We show that this diffuse scattering may be due to the presence of edge dislocations. On the basis of a previous description of edge dislocations within the framework of the elastic continuum theory of the S_A phase given by De Gennes, we have calculated the Fourier transform of the deformation field. Optical diffraction experiments on sketches of defects have also been made to reproduce the X-ray scattering patterns. Both methods show that this diffuse scattering may indeed be due to the presence of edge dislocations. Their density may be roughly estimated to some 10^8/cm^2. The size of their cores should be only a few Ångströms. From the decay of their elastic deformation field, a typical length λ = (K/B)^{1/2}≈ 1,5 Å can be obtained which shows that the elastic constant B of compression of the layers should be about two orders of magnitude larger in the “polymeric” S_A phase than in the “conventional” one. Les clichés de diffraction des rayons X par des polymères mésomorphes en peigne, en phase S_A, présentent des trainées diffuses en forme d'“ ailes de papillon ”. Nous montrons que cette diffusion diffuse peut s'expliquer par la présence de dislocations-coin. En partant de la description des dislocations-coin donnée par De Gennes dans le cadre de la théorie du continuum élastique de la phase S_A, nous avons calculé la transformée de Fourier du champ de déformation. Des expériences de diffraction optique sur des modèles de défauts ont aussi été effectuées afin de reproduire les clichés de diffraction des rayons X. Les deux méthodes montrent que cette diffusion diffuse peut en effet bien s'expliquer par la présence de dislocations-coin. Leur densité a été grossièrement estimée à quelques 10^8/cm^2. La taille de leurs coeurs ne devrait pas dépasser quelques Ångströms. D'après l'allure du champ de déformation élastique, on peut tirer une longueur typique λ = (K/B)^{1/2}≈ 1,5 Å, ce qui montre que la constante élastique B de compression des couches devrait être environ 100 fois plus élevée en phase S_A “ polymérique ” qu'en phase S_A “ usuelle ”.

Disclinations, dislocations, and continuous defects: A reappraisal

NASA Astrophysics Data System (ADS)

Kleman, M.; Friedel, J.

2008-01-01

Disclinations were first observed in mesomorphic phases. They were later found relevant to a number of ill-ordered condensed-matter media involving continuous symmetries or frustrated order. Disclinations also appear in polycrystals at the edges of grain boundaries; but they are of limited interest in solid single crystals, where they can move only by diffusion climb and, owing to their large elastic stresses, mostly appear in close pairs of opposite signs. The relaxation mechanisms associated with a disclination in its creation, motion, and change of shape involve an interplay with continuous or quantized dislocations and/or continuous disclinations. These are attached to the disclinations or are akin to Nye’s dislocation densities, which are particularly well suited for consideration here. The notion of an extended Volterra process is introduced, which takes these relaxation processes into account and covers different situations where this interplay takes place. These concepts are illustrated by a variety of applications in amorphous solids, mesomorphic phases, and frustrated media in their curved habit space. These often involve disclination networks with specific node conditions. The powerful topological theory of line defects considers only defects stable against any change of boundary conditions or relaxation processes compatible with the structure considered. It can be seen as a simplified case of the approach considered here, particularly suited for media of high plasticity or/and complex structures. It cannot analyze the dynamical properties of defects nor the elastic constants involved in their static properties; topological stability cannot guarantee energetic stability, and sometimes cannot distinguish finer details of the structure of defects.

Theory of electron–phonon–dislon interacting system—toward a quantized theory of dislocations

DOE PAGES

Li, Mingda; Tsurimaki, Yoichiro; Meng, Qingping; ...

2018-02-05

In this paper, we provide a comprehensive theoretical framework to study how crystal dislocations influence the functional properties of materials, based on the idea of a quantized dislocation, namely a 'dislon'. In contrast to previous work on dislons which focused on exotic phenomenology, here we focus on their theoretical structure and computational power. We first provide a pedagogical introduction that explains the necessity and benefits of taking the dislon approach and why the dislon Hamiltonian takes its current form. Then, we study the electron–dislocation and phonon–dislocation scattering problems using the dislon formalism. Both the effective electron and phonon theories aremore » derived, from which the role of dislocations on electronic and phononic transport properties is computed. Compared with traditional dislocation scattering studies, which are intrinsically single-particle, low-order perturbation and classical quenched defect in nature, the dislon theory not only allows easy incorporation of quantum many-body effects such as electron correlation, electron–phonon interaction, and higher-order scattering events, but also allows proper consideration of the dislocation's long-range strain field and dynamic aspects on equal footing for arbitrary types of straight-line dislocations. This means that instead of developing individual models for specific dislocation scattering problems, the dislon theory allows for the calculation of electronic structure and electrical transport, thermal transport, optical and superconducting properties, etc, under one unified theory. Furthermore, the dislon theory has another advantage over empirical models in that it requires no fitting parameters. The dislon theory could serve as a major computational tool to understand the role of dislocations on multiple materials' functional properties at an unprecedented level of clarity, and may have wide applications in dislocated energy materials.« less

Theory of electron–phonon–dislon interacting system—toward a quantized theory of dislocations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Mingda; Tsurimaki, Yoichiro; Meng, Qingping

In this paper, we provide a comprehensive theoretical framework to study how crystal dislocations influence the functional properties of materials, based on the idea of a quantized dislocation, namely a 'dislon'. In contrast to previous work on dislons which focused on exotic phenomenology, here we focus on their theoretical structure and computational power. We first provide a pedagogical introduction that explains the necessity and benefits of taking the dislon approach and why the dislon Hamiltonian takes its current form. Then, we study the electron–dislocation and phonon–dislocation scattering problems using the dislon formalism. Both the effective electron and phonon theories aremore » derived, from which the role of dislocations on electronic and phononic transport properties is computed. Compared with traditional dislocation scattering studies, which are intrinsically single-particle, low-order perturbation and classical quenched defect in nature, the dislon theory not only allows easy incorporation of quantum many-body effects such as electron correlation, electron–phonon interaction, and higher-order scattering events, but also allows proper consideration of the dislocation's long-range strain field and dynamic aspects on equal footing for arbitrary types of straight-line dislocations. This means that instead of developing individual models for specific dislocation scattering problems, the dislon theory allows for the calculation of electronic structure and electrical transport, thermal transport, optical and superconducting properties, etc, under one unified theory. Furthermore, the dislon theory has another advantage over empirical models in that it requires no fitting parameters. The dislon theory could serve as a major computational tool to understand the role of dislocations on multiple materials' functional properties at an unprecedented level of clarity, and may have wide applications in dislocated energy materials.« less

Wedge disclination dipole in an embedded nanowire within the surface/interface elasticity

NASA Astrophysics Data System (ADS)

Shodja, Hossein M.; Rezazadeh-Kalehbasti, Shaghayegh; Gutkin, Mikhail Yu

2013-12-01

The elastic behavior of an arbitrary oriented wedge disclination dipole located inside a nanowire, which in turn is embedded in an infinite matrix, is studied within the surface/interface theory of elasticity. The corresponding boundary value problem is provided using complex potential functions. The potential functions are defined through modeling the wedge disclination in terms of an equivalent distribution of edge dislocations. The interface effects on the stress field and strain energy of the disclination dipole and image forces acting on it, the influence of relative shear moduli of the nanowire and the matrix, as well as the different characteristics of the interface are studied thoroughly. It is shown that the positive interface modulus leads to increased strain energy and extra repulsive forces on the disclination dipole. The noticeable effect of the negative interface modulus is the non-classical oscillations in the stress field of the disclination dipole and an extra attractive image force on it.

Supersonic Dislocation Bursts in Silicon

DOE PAGES

Hahn, E. N.; Zhao, S.; Bringa, E. M.; ...

2016-06-06

Dislocations are the primary agents of permanent deformation in crystalline solids. Since the theoretical prediction of supersonic dislocations over half a century ago, there is a dearth of experimental evidence supporting their existence. Here we use non-equilibrium molecular dynamics simulations of shocked silicon to reveal transient supersonic partial dislocation motion at approximately 15 km/s, faster than any previous in-silico observation. Homogeneous dislocation nucleation occurs near the shock front and supersonic dislocation motion lasts just fractions of picoseconds before the dislocations catch the shock front and decelerate back to the elastic wave speed. Applying a modified analytical equation for dislocation evolutionmore » we successfully predict a dislocation density of 1.5 x 10(12) cm(-2) within the shocked volume, in agreement with the present simulations and realistic in regards to prior and on-going recovery experiments in silicon.« less

Supersonic Dislocation Bursts in Silicon

PubMed Central

Hahn, E. N.; Zhao, S.; Bringa, E. M.; Meyers, M. A.

2016-01-01

Dislocations are the primary agents of permanent deformation in crystalline solids. Since the theoretical prediction of supersonic dislocations over half a century ago, there is a dearth of experimental evidence supporting their existence. Here we use non-equilibrium molecular dynamics simulations of shocked silicon to reveal transient supersonic partial dislocation motion at approximately 15 km/s, faster than any previous in-silico observation. Homogeneous dislocation nucleation occurs near the shock front and supersonic dislocation motion lasts just fractions of picoseconds before the dislocations catch the shock front and decelerate back to the elastic wave speed. Applying a modified analytical equation for dislocation evolution we successfully predict a dislocation density of 1.5 × 1012 cm−2 within the shocked volume, in agreement with the present simulations and realistic in regards to prior and on-going recovery experiments in silicon. PMID:27264746

Supersonic Dislocation Bursts in Silicon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hahn, E. N.; Zhao, S.; Bringa, E. M.

Dislocations are the primary agents of permanent deformation in crystalline solids. Since the theoretical prediction of supersonic dislocations over half a century ago, there is a dearth of experimental evidence supporting their existence. Here we use non-equilibrium molecular dynamics simulations of shocked silicon to reveal transient supersonic partial dislocation motion at approximately 15 km/s, faster than any previous in-silico observation. Homogeneous dislocation nucleation occurs near the shock front and supersonic dislocation motion lasts just fractions of picoseconds before the dislocations catch the shock front and decelerate back to the elastic wave speed. Applying a modified analytical equation for dislocation evolutionmore » we successfully predict a dislocation density of 1.5 x 10(12) cm(-2) within the shocked volume, in agreement with the present simulations and realistic in regards to prior and on-going recovery experiments in silicon.« less

Theory of electron-phonon-dislon interacting system—toward a quantized theory of dislocations

NASA Astrophysics Data System (ADS)

Li, Mingda; Tsurimaki, Yoichiro; Meng, Qingping; Andrejevic, Nina; Zhu, Yimei; Mahan, Gerald D.; Chen, Gang

2018-02-01

We provide a comprehensive theoretical framework to study how crystal dislocations influence the functional properties of materials, based on the idea of a quantized dislocation, namely a ‘dislon’. In contrast to previous work on dislons which focused on exotic phenomenology, here we focus on their theoretical structure and computational power. We first provide a pedagogical introduction that explains the necessity and benefits of taking the dislon approach and why the dislon Hamiltonian takes its current form. Then, we study the electron-dislocation and phonon-dislocation scattering problems using the dislon formalism. Both the effective electron and phonon theories are derived, from which the role of dislocations on electronic and phononic transport properties is computed. Compared with traditional dislocation scattering studies, which are intrinsically single-particle, low-order perturbation and classical quenched defect in nature, the dislon theory not only allows easy incorporation of quantum many-body effects such as electron correlation, electron-phonon interaction, and higher-order scattering events, but also allows proper consideration of the dislocation’s long-range strain field and dynamic aspects on equal footing for arbitrary types of straight-line dislocations. This means that instead of developing individual models for specific dislocation scattering problems, the dislon theory allows for the calculation of electronic structure and electrical transport, thermal transport, optical and superconducting properties, etc, under one unified theory. Furthermore, the dislon theory has another advantage over empirical models in that it requires no fitting parameters. The dislon theory could serve as a major computational tool to understand the role of dislocations on multiple materials’ functional properties at an unprecedented level of clarity, and may have wide applications in dislocated energy materials.

Molecular dynamics studies of InGaN growth on nonpolar (11 2 \\xAF0 ) GaN surfaces

NASA Astrophysics Data System (ADS)

Chu, K.; Gruber, J.; Zhou, X. W.; Jones, R. E.; Lee, S. R.; Tucker, G. J.

2018-01-01

We have performed direct molecular dynamics (MD) simulations of heteroepitaxial vapor deposition of I nxG a1 -xN films on nonpolar (11 2 ¯0 ) wurtzite-GaN surfaces to investigate strain relaxation by misfit-dislocation formation. The simulated growth is conducted on an atypically large scale by sequentially injecting nearly a million individual vapor-phase atoms towards a fixed GaN substrate. We apply time-and-position-dependent boundary constraints to affect the appropriate environments for the vapor phase, the near-surface solid phase, and the bulklike regions of the growing layer. The simulations employ a newly optimized Stillinger-Weber In-Ga-N system interatomic potential wherein multiple binary and ternary structures are included in the underlying density-functional theory and experimental training sets to improve the treatment of the In-Ga-N related interactions. To examine the effect of growth conditions, we study a matrix of 63 different MD-growth simulations spanning seven I nxG a1 -xN -alloy compositions ranging from x =0.0 to x =0.8 and nine growth temperatures above half the simulated melt temperature. We found a composition dependent temperature range where all kinetically trapped defects were eliminated, leaving only quasiequilibrium misfit and threading dislocations present in the simulated films. Based on the MD results obtained in this temperature range, we observe the formation of interfacial misfit and threading dislocation arrays with morphologies strikingly close to those seen in experiments. In addition, we compare the MD-observed thickness-dependent onset of misfit-dislocation formation to continuum-elasticity-theory models of the critical thickness and find reasonably good agreement. Finally, we use the three-dimensional atomistic details uniquely available in the MD-growth histories to directly observe the nucleation of dislocations at surface pits in the evolving free surface.

First-principles modeling of hardness in transition-metal diborides

NASA Astrophysics Data System (ADS)

Lazar, Petr; Chen, Xing-Qiu; Podloucky, Raimund

2009-07-01

Based on recent experiments, the diborides OsB2 and ReB2 were proposed to be ultraincompressible and superhard materials. By application of an ab initio density-functional theory approach we investigate the elastic and cleavage fracture properties of the borides MB2 ( M=Hf , Ta, W, Re, Os, and Ir). We derive a direct correlation between the lowest calculated critical cleavage stress and the experimental (micro)hardness. By calculating the critical shear stress and estimating the possibility of dislocation emission we can justify the prediction that ReB2 is indeed a superhard material.

Local tsunamis and earthquake source parameters

USGS Publications Warehouse

Geist, Eric L.; Dmowska, Renata; Saltzman, Barry

1999-01-01

This chapter establishes the relationship among earthquake source parameters and the generation, propagation, and run-up of local tsunamis. In general terms, displacement of the seafloor during the earthquake rupture is modeled using the elastic dislocation theory for which the displacement field is dependent on the slip distribution, fault geometry, and the elastic response and properties of the medium. Specifically, nonlinear long-wave theory governs the propagation and run-up of tsunamis. A parametric study is devised to examine the relative importance of individual earthquake source parameters on local tsunamis, because the physics that describes tsunamis from generation through run-up is complex. Analysis of the source parameters of various tsunamigenic earthquakes have indicated that the details of the earthquake source, namely, nonuniform distribution of slip along the fault plane, have a significant effect on the local tsunami run-up. Numerical methods have been developed to address the realistic bathymetric and shoreline conditions. The accuracy of determining the run-up on shore is directly dependent on the source parameters of the earthquake, which provide the initial conditions used for the hydrodynamic models.

Dynamics of threading dislocations in porous heteroepitaxial GaN films

NASA Astrophysics Data System (ADS)

Gutkin, M. Yu.; Rzhavtsev, E. A.

2017-12-01

Behavior of threading dislocations in porous heteroepitaxial gallium nitride (GaN) films has been studied using computer simulation by the two-dimensional discrete dislocation dynamics approach. A computational scheme, where pores are modeled as cross sections of cylindrical cavities, elastically interacting with unidirectional parallel edge dislocations, which imitate threading dislocations, is used. Time dependences of coordinates and velocities of each dislocation from dislocation ensembles under investigation are obtained. Visualization of current structure of dislocation ensemble is performed in the form of a location map of dislocations at any time. It has been shown that the density of appearing dislocation structures significantly depends on the ratio of area of a pore cross section to area of the simulation region. In particular, increasing the portion of pores surface on the layer surface up to 2% should lead to about a 1.5-times decrease of the final density of threading dislocations, and increase of this portion up to 15% should lead to approximately a 4.5-times decrease of it.

Effect of rotation on the elastic moduli of solid 4He

NASA Astrophysics Data System (ADS)

Tsuiki, T.; Takahashi, D.; Murakawa, S.; Okuda, Y.; Kono, K.; Shirahama, K.

2018-02-01

We report measurements of elastic moduli of hcp solid 4He down to 15 mK when the samples are rotated unidirectionally. Recent investigations have revealed that the elastic behavior of solid 4He is dominated by gliding of dislocations and pinning of them by 3He impurities, which move in the solidlike Bloch waves (impuritons). Motivated by the recent controversy of torsional oscillator studies, we have performed direct measurements of shear and Young's moduli of annular solid 4He using pairs of quarter-circle-shape piezoelectric transducers (PZTs) while the whole apparatus is rotated with angular velocity Ω up to 4 rad/s. We have found that shear modulus μ is suppressed by rotation below 80 mK, when shear strain applied by PZT exceeds a critical value, above which μ decreases because the shear strain unbinds dislocations from 3He impurities. The rotation-induced decrement of μ at Ω =4 rad/s is about 14.7(12.3)% of the total change of temperature dependent μ for solid samples of pressure 3.6(5.4) MPa. The decrements indicate that the probability of pinning of 3He on dislocation segment G decreases by several orders of magnitude. We propose that the motion of 3He impuritons under rotation becomes strongly anisotropic by the Coriolis force, resulting a decrease in G for dislocation lines aligning parallel to the rotation axis.

Melting of 2D colloidal crystals

NASA Astrophysics Data System (ADS)

Maret, G.; Eisenmann, C.; Gasser, U.; Vongruenberg, H. H.; Keim, P.; Zahn, K.

2004-11-01

We study melting of 2D crystals of super-paramagnetic colloidal particles confined by gravity to a flat air-water interface. The effective system temperature is given by the strength of the dipolar inter-particle interaction controlled by an external magnetic field B. Particle positions are obtained by video-microscopy. In vertical B-field crystals are hexagonal and we find all features of the 2-step melting scenario predicted by KTHNY-theory. In particular, quantitative agreement is found for the translational and orientational order parameters related to bound and isolated dislocations and disclinations. From particle position fluctuations wave-vector (q) dependent normal-mode spring constants are obtained in agreement with phonon band structure calculations. The elastic constants (q=0 limit) soften near melting in quantitative agreement with KTHNY. By tilting B away from vertical anisotropic 2D crystals are generated; at small tilting angles they melt through a quasi-hexatic phase, while at higher tilts a centered rectangular phase is found which melts into a 2D smectic-like phase through orientation-dependent dislocations.

Free-end adaptive nudged elastic band method for locating transition states in minimum energy path calculation.

PubMed

Zhang, Jiayong; Zhang, Hongwu; Ye, Hongfei; Zheng, Yonggang

2016-09-07

A free-end adaptive nudged elastic band (FEA-NEB) method is presented for finding transition states on minimum energy paths, where the energy barrier is very narrow compared to the whole paths. The previously proposed free-end nudged elastic band method may suffer from convergence problems because of the kinks arising on the elastic band if the initial elastic band is far from the minimum energy path and weak springs are adopted. We analyze the origin of the formation of kinks and present an improved free-end algorithm to avoid the convergence problem. Moreover, by coupling the improved free-end algorithm and an adaptive strategy, we develop a FEA-NEB method to accurately locate the transition state with the elastic band cut off repeatedly and the density of images near the transition state increased. Several representative numerical examples, including the dislocation nucleation in a penta-twinned nanowire, the twin boundary migration under a shear stress, and the cross-slip of screw dislocation in face-centered cubic metals, are investigated by using the FEA-NEB method. Numerical results demonstrate both the stability and efficiency of the proposed method.

Documentation of programs that compute 1) static tilts for a spatially variable slip distribution, and 2) quasi-static tilts produced by an expanding dislocation loop with a spatially variable slip distribution

USGS Publications Warehouse

McHugh, Stuart

1976-01-01

The material in this report is concerned with the effects of a vertically oriented rectangular dislocation loop on the tilts observed at the free surface of an elastic half-space. Part I examines the effect of a spatially variable static strike-slip distribution across the slip surface. The tilt components as a function of distance parallel, or perpendicular, to the strike of the slip surface are displayed for different slip-versus-distance profiles. Part II examines the effect of spatially and temporally variable slip distributions across the dislocation loop on the quasi-static tilts at the free surface of an elastic half space. The model discussed in part II may be used to generate theoretical tilt versus time curves produced by creep events.

On the elastic–plastic decomposition of crystal deformation at the atomic scale

DOE PAGES

Stukowski, Alexander; Arsenlis, A.

2012-03-02

Given two snapshots of an atomistic system, taken at different stages of the deformation process, one can compute the incremental deformation gradient field, F, as defined by continuum mechanics theory, from the displacements of atoms. However, such a kinematic analysis of the total deformation does not reveal the respective contributions of elastic and plastic deformation. We develop a practical technique to perform the multiplicative decomposition of the deformation field, F = F eF p, into elastic and plastic parts for the case of crystalline materials. The described computational analysis method can be used to quantify plastic deformation in a materialmore » due to crystal slip-based mechanisms in molecular dynamics and molecular statics simulations. The knowledge of the plastic deformation field, F p, and its variation with time can provide insight into the number, motion and localization of relevant crystal defects such as dislocations. As a result, the computed elastic field, F e, provides information about inhomogeneous lattice strains and lattice rotations induced by the presence of defects.« less

Three-dimensional formulation of dislocation climb

NASA Astrophysics Data System (ADS)

Gu, Yejun; Xiang, Yang; Quek, Siu Sin; Srolovitz, David J.

2015-10-01

We derive a Green's function formulation for the climb of curved dislocations and multiple dislocations in three-dimensions. In this new dislocation climb formulation, the dislocation climb velocity is determined from the Peach-Koehler force on dislocations through vacancy diffusion in a non-local manner. The long-range contribution to the dislocation climb velocity is associated with vacancy diffusion rather than from the climb component of the well-known, long-range elastic effects captured in the Peach-Koehler force. Both long-range effects are important in determining the climb velocity of dislocations. Analytical and numerical examples show that the widely used local climb formula, based on straight infinite dislocations, is not generally applicable, except for a small set of special cases. We also present a numerical discretization method of this Green's function formulation appropriate for implementation in discrete dislocation dynamics (DDD) simulations. In DDD implementations, the long-range Peach-Koehler force is calculated as is commonly done, then a linear system is solved for the climb velocity using these forces. This is also done within the same order of computational cost as existing discrete dislocation dynamics methods.

Ultrasonic influence on evolution of disordered dislocation structures

NASA Astrophysics Data System (ADS)

Bachurin, D. V.; Murzaev, R. T.; Nazarov, A. A.

2017-12-01

Evolution of disordered dislocation structures under ultrasonic influence is studied in a model two-dimensional grain within the discrete-dislocation approach. Non-equilibrium grain boundary state is mimicked by a mesodefect located at the corners of the grain, stress field of which is described by that of a wedge junction disclination quadrupole. Significant rearrangement related to gliding of lattice dislocations towards the grain boundaries is found, which results in a noticeable reduction of internal stress fields and cancel of disclination quadrupole. The process of dislocation structure evolution passes through two stages: rapid and slow. The main dislocation rearrangement occurs during the first stage. Reduction of internal stress fields is associated with the number of dislocations entered into the grain boundaries. The change of misorientation angle due to lattice dislocations absorbed by the grain boundaries is evaluated. Amplitude of ultrasonic treatment significantly influences the relaxation of dislocation structure. Preliminary elastic relaxation of dislocation structure does not affect substantially the results of the following ultrasonic treatment. Substantial grain size dependence of relaxation of disordered dislocation systems is found. Simulation results are consistent with experimental data.

Crustal deformation along the San Andreas, California

NASA Technical Reports Server (NTRS)

Li, Victor C.

1992-01-01

The goal is to achieve a better understanding of the regional and local deformation and crustal straining processes in western North America, particularly the effects of the San Andreas and nearby faults on the spatial and temporal crustal deformation behavior. Construction of theoretical models based on the mechanics of coupled elastic plate, viscoelastic foundation and large scale crack mechanics provide a rational basis for the interpretation of seismic and aseismic anomalies and expedite efforts in forecasting the stability of plate boundary deformation. Special focus is placed on the three dimensional time dependent surface deformation due to localized slippage in a elastic layer coupled to a visco-elastic substrate. The numerical analysis is based on a 3-D boundary element technique. Extension to visco-elastic coupling demands the derivation of 3-D time dependent Green's function. This method was applied to analyze the viscoelastic surface displacements due to a dislocated embedded patch. Surface uplift as a function of time and position are obtained. Comparisons between surface uplift for long and short dislocated patches are made.

Static and dynamic properties of incommensurate smectic-A(IC) liquid crystals

NASA Technical Reports Server (NTRS)

Lubensky, T. C.; Ramaswamy, Sriram; Toner, John

1988-01-01

The elasticity, topological defects, and hydrodynamics of the incommensurate smectic A(IC) phase liquid crystals are studied. The phase is characterized by two colinear mass density waves of incommensurate spatial frequency. The elastic free energy is formulated in terms of a displacement field and a phason field. It is found that the topological defects of the system are dislocations with a nonzero phason field and phason field components. A two-dimensional Burgers lattice for these dislocations is introduced. It is shown that the hydrodynamic modes of the phase include first- and second-sound modes whose direction-dependent velocities are identical to those in ordinary smectics.

Recent Progress in Discrete Dislocation Dynamics and Its Applications to Micro Plasticity

NASA Astrophysics Data System (ADS)

Po, Giacomo; Mohamed, Mamdouh S.; Crosby, Tamer; Erel, Can; El-Azab, Anter; Ghoniem, Nasr

2014-10-01

We present a self-contained review of the discrete dislocation dynamics (DDD) method for the numerical investigation of plasticity in crystals, focusing on recent development and implementation progress. The review covers the theoretical foundations of DDD within the framework of incompatible elasticity, its numerical implementation via the nodal method, the extension of the method to finite domains and several implementation details. Applications of the method to current topics in micro-plasticity are presented, including the size effects in nano-indentation, the evolution of the dislocation microstructure in persistent slip bands, and the phenomenon of dislocation avalanches in micro-pillar compression.

Small-on-large geometric anelasticity

PubMed Central

2016-01-01

In this paper, we are concerned with finding exact solutions for the stress fields of nonlinear solids with non-symmetric distributions of defects (or more generally finite eigenstrains) that are small perturbations of symmetric distributions of defects with known exact solutions. In the language of geometric mechanics, this corresponds to finding a deformation that is a result of a perturbation of the metric of the Riemannian material manifold. We present a general framework that can be used for a systematic analysis of this class of anelasticity problems. This geometric formulation can be thought of as a material analogue of the classical small-on-large theory in nonlinear elasticity. We use the present small-on-large anelasticity theory to find exact solutions for the stress fields of some non-symmetric distributions of screw dislocations in incompressible isotropic solids. PMID:27956887

Pressure Dependence of the Peierls Stress in Aluminum

NASA Astrophysics Data System (ADS)

Dang, Khanh; Spearot, Douglas

2018-03-01

The effect of pressure applied normal to the {111} slip plane on the Peierls stress in Al is studied via atomistic simulations. Edge, screw, 30°, and 60° straight dislocations are created using the Volterra displacement fields for isotropic elasticity. For each dislocation character angle, the Peierls stress is calculated based on the change in the internal energy, which is an invariant measure of the dislocation driving force. It is found that the Peierls stress for dislocations under zero pressure is in general agreement with previous results. For screw and 60° dislocations, the Peierls stress versus pressure relationship has maximum values associated with stacking fault widths that are multiples of the Peierls period. For the edge dislocation, the Peierls stress decreases with increasing pressure from tension to compression. Compared with the Mendelev potential, the Peierls stress calculated from the Mishin potential is more sensitive to changes in pressure.

Nano-indentation used to study pyramidal slip in GaN single crystals

NASA Astrophysics Data System (ADS)

Krimsky, E.; Jones, K. A.; Tompkins, R. P.; Rotella, P.; Ligda, J.; Schuster, B. E.

2018-02-01

The nucleation and structure of dislocations created by the nano-indentation of GaN samples with dislocation densities ≈103, 106 or 109 ⊥/cm2 were studied in the interest of learning how dislocations can be created to relieve the mismatch strain in ternary nitride films grown on (0001) oriented binary nitride substrates. Using transmission electron microscopy and stress analyses to assist in interpreting the nano-indentation data, we determined that the pop-ins in the indenter load vs. penetration depth curves are created by an avalanche process at stresses well above the typical yield stress. The process begins by the homogeneous formation of a basal plane screw dislocation that triggers the formation of pyramidal and other basal plane dislocations that relieve the excess stored elastic energy. It appears that pyramidal slip can occur on either the {1122} or {0111} planes, as there is little resistance to the cross slip of screw dislocations.

A spectral approach for discrete dislocation dynamics simulations of nanoindentation

NASA Astrophysics Data System (ADS)

Bertin, Nicolas; Glavas, Vedran; Datta, Dibakar; Cai, Wei

2018-07-01

We present a spectral approach to perform nanoindentation simulations using three-dimensional nodal discrete dislocation dynamics. The method relies on a two step approach. First, the contact problem between an indenter of arbitrary shape and an isotropic elastic half-space is solved using a spectral iterative algorithm, and the contact pressure is fully determined on the half-space surface. The contact pressure is then used as a boundary condition of the spectral solver to determine the resulting stress field produced in the simulation volume. In both stages, the mechanical fields are decomposed into Fourier modes and are efficiently computed using fast Fourier transforms. To further improve the computational efficiency, the method is coupled with a subcycling integrator and a special approach is devised to approximate the displacement field associated with surface steps. As a benchmark, the method is used to compute the response of an elastic half-space using different types of indenter. An example of a dislocation dynamics nanoindentation simulation with complex initial microstructure is presented.

Six-week physical rehabilitation protocol for anterior shoulder dislocation in athletes

PubMed Central

Gaballah, Ahmed; Zeyada, Mohamed; Elgeidi, Adham; Bressel, Eadric

2017-01-01

Anterior shoulder dislocations are common in young athletes. The mechanism for the first or primary shoulder dislocation may involve a collision or a fall typically with the arm in an abducted and externally rotated position. The aim of this study was to design a physical rehabilitation program using the elastic band and resistive exercise to improve joint strength and range of motion in individuals diagnosed with a first-time shoulder dislocation. Twelve physically active males with a first-time acute shoulder dislocation were asked to volunteer. Participants began a physical rehabilitation program 2 weeks after the shoulder dislocation, which was confirmed by a referring physician. The rehabilitation program was 6 weeks in duration and required the participants to engage in progressive resistive loads/duration using elastic bands and weights 5 days per week. Pretest and posttest measures included shoulder strength and range of motion. All outcome measures were compared between the injured and uninjured shoulder, which served as the control condition in this study. There were statistically significant differences between the injured and uninjured shoulder for measures of strength and range of motion during pretests (P<0.01) but not post-tests (P<0.53). Finally, there were no differences between shoulders in regards to the volume measure suggesting that any changes in muscle atrophy or swelling were not detected. The physical rehabilitation program proposed in this study was effective at improving strength and range of motion in the injured shoulder as evidenced by the similarity in posttest values between the injured and uninjured shoulder. PMID:28702449

Change in equilibrium position of misfit dislocations at the GaN/sapphire interface by Si-ion implantation into sapphire—I. Microstructural characterization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Sung Bo, E-mail: bolee@snu.ac.kr; Han, Heung Nam, E-mail: hnhan@snu.ac.kr; Lee, Dong Nyung

Much research has been done to reduce dislocation densities for the growth of GaN on sapphire, but has paid little attention to the elastic behavior at the GaN/sapphire interface. In this study, we have examined effects of the addition of Si to a sapphire substrate on its elastic property and on the growth of GaN deposit. Si atoms are added to a c-plane sapphire substrate by ion implantation. The ion implantation results in scratches on the surface, and concomitantly, inhomogeneous distribution of Si. The scratch regions contain a higher concentration of Si than other regions of the sapphire substrate surface,more » high-temperature GaN being poorly grown there. However, high-temperature GaN is normally grown in the other regions. The GaN overlayer in the normally-grown regions is observed to have a lower TD density than the deposit on the bare sapphire substrate (with no Si accommodated). As compared with the film on an untreated, bare sapphire, the cathodoluminescence defect density decreases by 60 % for the GaN layer normally deposited on the Si-ion implanted sapphire. As confirmed by a strain mapping technique by transmission electron microscopy (geometric phase analysis), the addition of Si in the normally deposited regions forms a surface layer in the sapphire elastically more compliant than the GaN overlayer. The results suggest that the layer can largely absorb the misfit strain at the interface, which produces the overlayer with a lower defect density. Our results highlight a direct correlation between threading-dislocation density in GaN deposits and the elastic behavior at the GaN/sapphire interface, opening up a new pathway to reduce threading-dislocation density in GaN deposits.« less

Investigation of threading dislocation blocking in strained-layer InGaAs/GaAs heterostructures using scanning cathodoluminescence microscopy

NASA Astrophysics Data System (ADS)

Russell, J. J.; Zou, J.; Moon, A. R.; Cockayne, D. J. H.

2000-08-01

Threading dislocation glide relieves strain in strained-layer heterostructures by increasing the total length of interface misfit dislocations. The blocking theory proposed by Freund [J. Appl. Phys. 68, 2073 (1990)] predicts the thickness above which gliding threading dislocations are able to overcome the resistance force produced by existing orthogonal misfit dislocations. A set of wedge-shaped samples of InxGa1-xAs/GaAs (x=0.04) strained-layer heterostructures was grown using molecular-beam epitaxy in order to test the theory of dislocation blocking over a range of thicknesses within one sample. Scanning cathodoluminescence microscopy techniques were used to image the misfit dislocations. The cathodoluminescence results confirm the model proposed by Freund.

Thermodynamic dislocation theory: Bauschinger effect

NASA Astrophysics Data System (ADS)

Le, K. C.; Tran, T. M.

2018-04-01

The thermodynamic dislocation theory developed for nonuniform plastic deformations is used here to simulate the stress-strain curves for crystals subjected to antiplane shear-controlled load reversal. We show that the presence of the positive back stress during the load reversal reduces the magnitude of shear stress required to pull excess dislocations back to the center of the specimen. There, the excess dislocations of opposite signs meet and annihilate each other leading to the Bauschinger effect.

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

PubMed

Han, Xiaodong; Wang, Lihua; Yue, Yonghai; Zhang, Ze

2015-04-01

In this review, we briefly introduce our in situ atomic-scale mechanical experimental technique (ASMET) for transmission electron microscopy (TEM), which can observe the atomic-scale deformation dynamics of materials. This in situ mechanical testing technique allows the deformation of TEM samples through a simultaneous double-tilt function, making atomic-scale mechanical microscopy feasible. This methodology is generally applicable to thin films, nanowires (NWs), tubes and regular TEM samples to allow investigation of the dynamics of mechanically stressed samples at the atomic scale. We show several examples of this technique applied to Pt and Cu single/polycrystalline specimens. The in situ atomic-scale observation revealed that when the feature size of these materials approaches the nano-scale, they often exhibit "unusual" deformation behaviours compared to their bulk counterparts. For example, in Cu single-crystalline NWs, the elastic-plastic transition is size-dependent. An ultra-large elastic strain of 7.2%, which approaches the theoretical elasticity limit, can be achieved as the diameter of the NWs decreases to ∼6 nm. The crossover plasticity transition from full dislocations to partial dislocations and twins was also discovered as the diameter of the single-crystalline Cu NWs decreased. For Pt nanocrystals (NC), the long-standing uncertainties of atomic-scale plastic deformation mechanisms in NC materials (grain size G less than 15 nm) were clarified. For larger grains with G<∼10 nm, we frequently observed movements and interactions of cross-grain full dislocations. For G between 6 and 10 nm, stacking faults resulting from partial dislocations become more frequent. For G<∼6 nm, the plasticity mechanism transforms from a mode of cross-grain dislocation to a collective grain rotation mechanism. This grain rotation process is mediated by grain boundary (GB) dislocations with the assistance of GB diffusion and shuffling. These in situ atomic-scale images provide a direct demonstration that grain rotation, through the evolution of the misorientation angle between neighbouring grains, can be quantitatively assessed by the dislocation content within the grain boundaries. In combination with the revolutionary Cs-corrected sub-angstrom imaging technologies developed by Urban et al., the opportunities for experimental mechanics at the atomic scale are emerging. Copyright © 2014 The Authors. Published by Elsevier B.V. All rights reserved.

Semiconductor Film Grown on a Circular Substrate: Predictive Modeling of Lattice-Misfit Stresses

NASA Astrophysics Data System (ADS)

Suhir, E.; Nicolics, J.; Khatibi, G.; Lederer, M.

2016-03-01

An effective and physically meaningful analytical predictive model is developed for the evaluation the lattice-misfit stresses (LMS) in a semiconductor film grown on a circular substrate (wafer). The two-dimensional (plane-stress) theory-of-elasticity approximation (TEA) is employed in the analysis. The addressed stresses include the interfacial shearing stress, responsible for the occurrence and growth of dislocations, as well as for possible delaminations and the cohesive strength of a buffering material, if any. Normal radial and circumferential (tangential) stresses acting in the film cross-sections and responsible for its short- and long-term strength (fracture toughness) are also addressed. The analysis is geared to the GaN technology.

Molecular dynamics simulation on the elastoplastic properties of copper nanowire under torsion

NASA Astrophysics Data System (ADS)

Yang, Yong; Li, Ying; Yang, Zailin; Zhang, Guowei; Wang, Xizhi; Liu, Jin

2018-02-01

Influences of different factors on the torsion properties of single crystal copper nanowire are studied by molecular dynamics method. The length, torsional rate, and temperature of the nanowire are discussed at the elastic-plastic critical point. According to the average potential energy curve and shear stress curve, the elastic-plastic critical angle is determined. Also, the dislocation at elastoplastic critical points is analyzed. The simulation results show that the single crystal copper nanowire can be strengthened by lengthening the model, decreasing the torsional rate, and lowering the temperature. Moreover, atoms move violently and dislocation is more likely to occur with a higher temperature. This work mainly describes the mechanical behavior of the model under different states.

Hall-petch law revisited in terms of collective dislocation dynamics.

PubMed

Louchet, François; Weiss, Jérôme; Richeton, Thiebaud

2006-08-18

The Hall-Petch (HP) law, that accounts for the effect of grain size on the plastic yield stress of polycrystals, is revisited in terms of the collective motion of interacting dislocations. Sudden relaxation of incompatibility stresses in a grain triggers aftershocks in the neighboring ones. The HP law results from a scaling argument based on the conservation of the elastic energy during such transfers. The Hall-Petch law breakdown for nanometric sized grains is shown to stem from the loss of such a collective behavior as grains start deforming by successive motion of individual dislocations.

The size effects upon shock plastic compression of nanocrystals

NASA Astrophysics Data System (ADS)

Malygin, G. A.; Klyavin, O. V.

2017-10-01

For the first time a theoretical analysis of scale effects upon the shock plastic compression of nanocrystals is implemented in the context of a dislocation kinetic approach based on the equations and relationships of dislocation kinetics. The yield point of crystals τy is established as a quantitative function of their cross-section size D and the rate of shock deformation as τy ɛ2/3 D. This dependence is valid in the case of elastic stress relaxation on account of emission of dislocations from single-pole Frank-Read sources near the crystal surface.

Thermodynamic theory of dislocation-enabled plasticity

NASA Astrophysics Data System (ADS)

Langer, J. S.

2017-11-01

The thermodynamic theory of dislocation-enabled plasticity is based on two unconventional hypotheses. The first of these is that a system of dislocations, driven by external forces and irreversibly exchanging heat with its environment, must be characterized by a thermodynamically defined effective temperature that is not the same as the ordinary temperature. The second hypothesis is that the overwhelmingly dominant mechanism controlling plastic deformation is thermally activated depinning of entangled pairs of dislocations. This paper consists of a systematic reformulation of this theory followed by examples of its use in analyses of experimentally observed phenomena including strain hardening, grain-size (Hall-Petch) effects, yielding transitions, and adiabatic shear banding.

Reduced Moment-Based Models for Oxygen Precipitates and Dislocation Loops in Silicon

NASA Astrophysics Data System (ADS)

Trzynadlowski, Bart

The demand for ever smaller, higher-performance integrated circuits and more efficient, cost-effective solar cells continues to push the frontiers of process technology. Fabrication of silicon devices requires extremely precise control of impurities and crystallographic defects. Failure to do so not only reduces performance, efficiency, and yield, it threatens the very survival of commercial enterprises in today's fiercely competitive and price-sensitive global market. The presence of oxygen in silicon is an unavoidable consequence of the Czochralski process, which remains the most popular method for large-scale production of single-crystal silicon. Oxygen precipitates that form during thermal processing cause distortion of the surrounding silicon lattice and can lead to the formation of dislocation loops. Localized deformation caused by both of these defects introduces potential wells that trap diffusing impurities such as metal atoms, which is highly desirable if done far away from sensitive device regions. Unfortunately, dislocations also reduce the mechanical strength of silicon, which can cause wafer warpage and breakage. Engineers must negotiate this and other complex tradeoffs when designing fabrication processes. Accomplishing this in a complex, modern process involving a large number of thermal steps is impossible without the aid of computational models. In this dissertation, new models for oxygen precipitation and dislocation loop evolution are described. An oxygen model using kinetic rate equations to evolve the complete precipitate size distribution was developed first. This was then used to create a reduced model tracking only the moments of the size distribution. The moment-based model was found to run significantly faster than its full counterpart while accurately capturing the evolution of oxygen precipitates. The reduced model was fitted to experimental data and a sensitivity analysis was performed to assess the robustness of the results. Source code for both models is included. A moment-based model for dislocation loop formation from {311} defects in ion-implanted silicon was also developed and validated against experimental data. Ab initio density functional theory calculations of stacking faults and edge dislocations were performed to extract energies and elastic properties. This allowed the effect of applied stress on the evolution of {311} defects and dislocation loops to be investigated.

Dynamic Processes in Nanostructured Crystals Under Ion Irradiation

NASA Astrophysics Data System (ADS)

Uglov, V. V.; Kvasov, N. T.; Shimanski, V. I.; Safronov, I. V.; Komarov, N. D.

2018-02-01

The paper presents detailed investigations of dynamic processes occurring in nanostructured Si(Fe) material under the radiation exposure, namely: heating, thermoelastic stress generation, elastic disturbances of the surrounding medium similar to weak shock waves, and dislocation generation. The performance calculations are proposed for elastic properties of the nanostructured material with a glance to size effects in nanoparticles.

Continuum dislocation-density based models for the dynamic shock response of single-crystal and polycrystalline materials

NASA Astrophysics Data System (ADS)

Luscher, Darby

2017-06-01

The dynamic thermomechanical responses of polycrystalline materials under shock loading are often dominated by the interaction of defects and interfaces. For example, polymer-bonded explosives (PBX) can initiate under weak shock impacts whose energy, if distributed homogeneously throughout the material, translates to temperature increases that are insufficient to drive the rapid chemistry observed. In such cases, heterogeneous thermomechanical interactions at the mesoscale (i.e. between single-crystal and macroscale) lead to the formation of localized hot spots. Within metals, a prescribed deformation associated with a shock wave may be accommodated by crystallographic slip, provided a sufficient population of mobile dislocations is available. However, if the deformation rate is large enough, there may be an insufficient number of freely mobile dislocations. In these cases, additional dislocations may be nucleated, or alternate mechanisms (e.g. twinning, damage) activated in order to accommodate the deformation. Direct numerical simulation at the mesoscale offers insight into these physical processes that can be invaluable to the development of macroscale constitutive theories, if the mesoscale models adequately represent the anisotropic nonlinear thermomechanical response of individual crystals and their interfaces. This talk will briefly outline a continuum mesoscale modeling framework founded upon local and nonlocal variations of dislocation-density based crystal plasticity theory. The nonlocal theory couples continuum dislocation transport with the local theory. In the latter, dislocation transport is modeled by enforcing dislocation conservation at a slip-system level through the solution of advection-diffusion equations. The configuration of geometrically necessary dislocation density gives rise to a back-stress that inhibits or accentuates the flow of dislocations. Development of the local theory and application to modeling the explosive molecular crystal RDX and polycrystalline PBX will be discussed. The talk will also emphasize recent implementation of the coupled nonlocal model into a 3D shock hydrocode and simulation results for the dynamic response of polycrystalline copper in two and three dimensions.

Interaction of irradiation-induced prismatic dislocation loops with free surfaces in tungsten

NASA Astrophysics Data System (ADS)

Fikar, Jan; Gröger, Roman; Schäublin, Robin

2017-02-01

The prismatic dislocation loops appear in metals as a result of high-energy irradiation. Understanding their formation and interaction is important for quantification of irradiation-induced deterioration of mechanical properties. Characterization of dislocation loops in thin foils is commonly made using transmission electron microscopy (TEM), but the results are inevitably influenced by the proximity of free surfaces. The prismatic loops are attracted to free surfaces by image forces. Depending on the type, size and depth of the loop in the foil, they can escape to the free surface, thus invalidating TEM observations and conclusions. In this article small prismatic hexagonal and circular dislocation loops in tungsten with the Burgers vectors 1/2 〈 1 1 1 〉 and 〈 1 0 0 〉 are studied by molecular statics simulations using three embedded atom method (EAM) potentials. The calculated image forces are compared to known elastic solutions. A particular attention is paid to the critical stress to move edge dislocations. The escape of the loop to the free surface is quantified by a combination of atomistic simulations and elastic calculations. For example, for the 1/2 〈 1 1 1 〉 loop with diameter 7.4 nm in a 55 nm thick foil we calculated that about one half of the loops will escape to the free surface. This implies that TEM observations detect only approx. 50% of the loops that were originally present in the foil.

A dislocation density based micromechanical constitutive model for Sn-Ag-Cu solder alloys

NASA Astrophysics Data System (ADS)

Liu, Lu; Yao, Yao; Zeng, Tao; Keer, Leon M.

2017-10-01

Based on the dislocation density hardening law, a micromechanical model considering the effects of precipitates is developed for Sn-Ag-Cu solder alloys. According to the microstructure of the Sn-3.0Ag-0.5Cu thin films, intermetallic compounds (IMCs) are assumed as sphere particles embedded in the polycrystalline β-Sn matrix. The mechanical behavior of polycrystalline β-Sn matrix is determined by the elastic-plastic self-consistent method. The existence of IMCs not only impedes the motion of dislocations but also increases the overall stiffness. Thus, a dislocation density based hardening law considering non-shearable precipitates is adopted locally for single β-Sn crystal, and the Mori-Tanaka scheme is applied to describe the overall viscoplastic behavior of solder alloys. The proposed model is incorporated into finite element analysis and the corresponding numerical implementation method is presented. The model can describe the mechanical behavior of Sn-3.0Ag-0.5Cu and Sn-1.0Ag-0.5Cu alloys under high strain rates at a wide range of temperatures. Furthermore, the overall Young’s modulus changes due to different contents of IMCs is predicted and compared with experimental data. Results show that the proposed model can describe both elastic and inelastic behavior of solder alloys with reasonable accuracy.

Strengthening via deformation twinning in a nickel alloy

DOE PAGES

Shaw, Leon L.; Villegas, Juan; Huang, Jian-Yu; ...

2007-07-01

In this study, nanograins and nanotwins are produced in specimens using one processing technique to allow direct comparison in their nanohardnesses. It is shown that the hardness of nanotwins can be close to the lower end of the hardness of nanograins. The resistance of nanotwins to dislocation movement is explained based on elastic interactions between the incident 60° dislocation and the product dislocations. The latter includes one Shockley partial at the twin boundary and one 60° dislocation in the twinned region. The analysis indicates that a resolved shear stress of at least 1.24 GPa is required for a 60° dislocationmore » to pass across a twin boundary in the nickel alloy investigated. It is this high level of the required shear stress coupled with a limited number of dislocations that can be present between two adjacent twin boundaries that provides nanotwins with high resistance to dislocation movement. The model proposed is corroborated by the detailed analysis of high-resolution transmission electron microscopy.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Long, Fei; Daymond, Mark R., E-mail: mark.daymond@queensu.ca; Yao, Zhongwen

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 themore » sample that had been deformed with 1.5% plastic strain, implying that these dislocations require larger stresses to be activated.« less

Superclimbing dislocation with a Coulomb-type interaction between jogs

NASA Astrophysics Data System (ADS)

Liu, Longxiang; Kuklov, Anatoly B.

2018-03-01

The main candidate for the superfluid pathways in solid 4He are dislocations with Burgers vector along the hcp symmetry axis. Here we focus on the quantum behavior of a generic edge dislocation which can perform superclimb; that is, it can climb due to the superflow along its core. The role of the long-range elastic interactions between jogs is addressed by Monte Carlo simulations. It is found that such interactions do not change qualitatively the phase diagram found without accounting for the long-range forces. Their main effect consists of renormalizing the effective scale determining the compressibility of the dislocation in the Tomonaga-Luttinger liquid phase. It is also found that the quantum rough phase of the dislocation can be well described within the Gaussian approximation which features off-diagonal long-range order (ODLRO) in one dimension for the superfluid order parameter along the core.

Thermodynamic theory of dislocation-enabled plasticity

DOE PAGES

Langer, J. S.

2017-11-30

The thermodynamic theory of dislocation-enabled plasticity is based on two unconventional hypotheses. The first of these is that a system of dislocations, driven by external forces and irreversibly exchanging heat with its environment, must be characterized by a thermodynamically defined effective temperature that is not the same as the ordinary temperature. The second hypothesis is that the overwhelmingly dominant mechanism controlling plastic deformation is thermally activated depinning of entangled pairs of dislocations. This paper consists of a systematic reformulation of this theory followed by examples of its use in analyses of experimentally observed phenomena including strain hardening, grain-size (Hall-Petch) effects,more » yielding transitions, and adiabatic shear banding.« less

The taming of the screw: Or how I learned to stop worrying and love elliptic functions

NASA Astrophysics Data System (ADS)

Matsumoto, Elisabetta A.

2011-12-01

Nonlinear elastic phenomena appear time and again in the world around us. This work considers two separate soft matter systems, instabilities in an elastic membrane perforated by a lattice of circular holes and defect textures in smectic liquid crystals. By studying the set of singularities characterizing each system, not only do the analytics become tractable, we gain intuition and insight into complex structures. Under hydrostatic compression, the holes decorating an elastic sheet undergo a buckling instability and collapse. By modeling each of the buckled holes as a pair of dislocation singularities, linear elasticity theory accurately captures the interactions between holes and predicts the pattern transformation they undergo. The diamond plate pattern generated by a square lattice of holes achieves long ranged order due to the broken symmetry of the underlying lattice. The limited number of two dimensional lattices restricts the classes of patterns that can be produced by a at sheet. By changing the topology of the membrane to a cylinder the types of accessible patterns vastly increases, from a chiral wrapped cylinder to pairs of holes alternating orientations to even more complex structures. Equally spaced layered smectics introduce a plethora of geometric constraints yielding novel textures based upon topological defects. The frustration due to the incompatibility of molecular chirality and layers drives the formation of both the venerable twist-grain-boundary phase and the newly discovered helical nanofilament (HN) phase. The HN phase is a newly found solution of the chiral Landau-de Gennes free energy. Finally, we consider two limiting cases of the achiral Landau-de Gennes free energy, bending energy dominated allows defects in the layers and compression energy dominated enforces equally spaced layers. In order to minimize bending energy, smectic layers assume the morphology of minimal surfaces. Riemann's minimal surface is composed of a nonlinear sum of two oppositely handed screw dislocations and has the morphology of a pore. Likewise, focal conic domains result from enforcing the equal spacing condition. We develop an approach to the study of focal sets in smectics which exploits a hidden Poincare symmetry revealed only by viewing the smectic layers as projections from one-higher dimension.

Modeling of plasticity and fracture of metals at shock loading

NASA Astrophysics Data System (ADS)

Mayer, A. E.; Khishchenko, K. V.; Levashov, P. R.; Mayer, P. N.

2013-05-01

In this paper, we present a model of dislocation plasticity and fracture of metals, which in combination with the wide-range equation of state and the continuum mechanics equations is a necessary component for simulation of the shock-wave loading. We take into account immobilization of dislocations and nucleation of micro-voids in weakened zones of substance; this is distinguished feature of the present version of the model. Accounting of the dislocations immobilization provides a better description of the unloading wave structure, while the detailed consideration of processes in the weakened zones expands the domain of applicability of fracture model to higher strain rates. We compare our results with the experimental data for the shock loading of aluminum, copper, and nickel samples; the comparison indicates satisfactory description of the elastic precursor, unloading wave, and spall pulse. Using the model, we investigate intently the early stage of the shock formation in solids; it is found out that the elastic precursor is formed even for a strong shock wave, and initially the precursor has very large amplitude and propagation velocity.

Atomic study of effects of crystal structure and temperature on structural evolution of Au nanowires under torsion

NASA Astrophysics Data System (ADS)

Wu, Cheng-Da; Tsai, Hsing-Wei

2018-06-01

The effect of temperature on the structural evolution of nanocrystalline (NC) and single-crystalline (SC) Au nanowires (NWs) under torsional deformation is studied using molecular dynamics simulations based on the many-body embedded-atom potential. The effect is investigated using common neighbor analysis and discussed in terms of shear strain distribution and atomic flow field. The simulation results show that deformation for NC NWs is mainly driven by the nucleation and propagation of dislocations and the gliding of grain boundaries (GBs) and that for SC NWs is mainly driven by dislocations and the formation of disordered structures. Dislocations for NC and SC NWs easily nucleate at GBs and free surfaces, respectively. For NC NWs, torsional buckling occurs easily at GBs with large gliding. SC NWs have a more uniform and larger elastic deformation under torsion compared to that for NC NWs due to the former's lack of grains. SC NWs have a long period of elastic deformation transforming into plastic deformation. Increasing temperature facilitates stress transmission throughout NWs.

Analytic crack solutions for tilt fields around hydraulic fractures

NASA Astrophysics Data System (ADS)

Warpinski, Norman R.

2000-10-01

The recent development of downhole tiltmeter arrays for monitoring hydraulic fractures has provided new information on fracture growth and geometry. These downhole arrays offer the significant advantages of being close to the fracture (large signal) and being unaffected by the free surface. As with surface tiltmeter data, analysis of these measurements requires the inversion of a crack or dislocation model. To supplement the dislocation models of Davis [1983], Okada [1992], and others, this work has extended several elastic crack solutions to provide tilt calculations. The solutions include constant-pressure two-dimensional (2-D), penny-shaped, and 3-D-elliptic cracks and a 2-D-variable-pressure crack. Equations are developed for an arbitrary inclined fracture in an infinite elastic space. Effects of fracture height, fracture length, fracture dip, fracture azimuth, fracture width, and monitoring distance on the tilt distribution are given, as well as comparisons with the dislocation model. The results show that the tilt measurements are very sensitive to the fracture dimensions but also that it is difficult to separate the competing effects of the various parameters.

Analytic crack solutions for tilt fields around hydraulic fractures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Warpinski, N.R.

The recent development of downhole tiltmeter arrays for monitoring hydraulic fractures has provided new information on fracture growth and geometry. These downhole arrays offer the significant advantages of being close to the fracture (large signal) and being unaffected by the free surface. As with surface tiltmeter data, analysis of these measurements requires the inversion of a crack or dislocation model. To supplement the dislocation models of Davis [1983], Okada [1992] and others, this work has extended several elastic crack solutions to provide tilt calculations. The solutions include constant-pressure 2D, penny-shaped, and 3D-elliptic cracks and a 2D-variable-pressure crack. Equations are developedmore » for an arbitrary inclined fracture in an infinite elastic space. Effects of fracture height, fracture length, fracture dip, fracture azimuth, fracture width and monitoring distance on the tilt distribution are given, as well as comparisons with the dislocation model. The results show that the tilt measurements are very sensitive to the fracture dimensions, but also that it is difficult to separate the competing effects of the various parameters.« less

Size effects under homogeneous deformation of single crystals: A discrete dislocation analysis

NASA Astrophysics Data System (ADS)

Guruprasad, P. J.; Benzerga, A. A.

Mechanism-based discrete dislocation plasticity is used to investigate the effect of size on micron scale crystal plasticity under conditions of macroscopically homogeneous deformation. Long-range interactions among dislocations are naturally incorporated through elasticity. Constitutive rules are used which account for key short-range dislocation interactions. These include junction formation and dynamic source and obstacle creation. Two-dimensional calculations are carried out which can handle high dislocation densities and large strains up to 0.1. The focus is laid on the effect of dimensional constraints on plastic flow and hardening processes. Specimen dimensions ranging from hundreds of nanometers to tens of microns are considered. Our findings show a strong size-dependence of flow strength and work-hardening rate at the micron scale. Taylor-like hardening is shown to be insufficient as a rationale for the flow stress scaling with specimen dimensions. The predicted size effect is associated with the emergence, at sufficient resolution, of a signed dislocation density. Heuristic correlations between macroscopic flow stress and macroscopic measures of dislocation density are sought. Most accurate among those is a correlation based on two state variables: the total dislocation density and an effective, scale-dependent measure of signed density.

Shock-induced Plasticity and Brittle Cracks in Aluminum Nitride

NASA Astrophysics Data System (ADS)

Branicio, Paulo; Kalia, Rajiv

2005-03-01

Two hundred and nine million atom molecular-dynamics simulation of hypervelocity projectile impact in aluminum nitride reveals strong interplay between shock-induced structural phase transformation, plastic deformation and brittle cracks. The shock wave splits into an elastic precursor and a wurtzite-to-rocksalt structural transformation wave. When the elastic wave reflected from the boundary of the sample interacts with the transformation wave front, nanocavities are generated along the penetration path of the projectile and dislocations in adjacent regions. The nanocavities coalesce to form mode I brittle cracks while dislocations generate kink bands that give rise to mode II cracks. These simulations provide a microscopic view of defects associated with simultaneous tensile and shear cracking at the structural phase transformation boundary due to shock impact in high-strength ceramics.

Mesoscale modeling of strain induced solid state amorphization in crystalline materials

NASA Astrophysics Data System (ADS)

Lei, Lei

Solid state amorphization, and in particular crystalline to amorphous transformation, can be observed in metallic alloys, semiconductors, intermetallics, minerals, and also molecular crystals when they undergo irradiation, hydrogen gas dissolution, thermal interdiffusion, mechanical alloying, or mechanical milling. Although the amorphization mechanisms may be different, the transformation occurs due to the high level of disorder introduced into the material. Milling induced solid state amorphization is proposed to be the result of accumulation of crystal defects, specifically dislocations, as the material is subjected to large deformations during the high energy process. Thus, understanding the deformation mechanisms of crystalline materials will be the first step in studying solid state amorphization in crystalline materials, which not only has scientific contributions, but also technical consequences. A phase field dislocation dynamics (PFDD) approach is employed in this work to simulate plastic deformation of molecular crystals. This PFDD model has the advantage of tracking all of the dislocations in a material simultaneously. The model takes into account the elastic interaction between dislocations, the lattice resistance to dislocation motion, and the elastic interaction of dislocations with an external stress field. The PFDD model is employed to describe the deformation of molecular crystals with pharmaceutical applications, namely, single crystal sucrose, acetaminophen, gamma-indomethacin, and aspirin. Stress-strain curves are produced that result in expected anisotropic material response due to the activation of different slip systems and yield stresses that agree well with those from experiments. The PFDD model is coupled to a phase transformation model to study the relation between plastic deformation and the solid state amorphization of crystals that undergo milling. This model predicts the amorphous volume fraction in excellent agreement with experimental observation. Finally, we incorporate the effect of stress free surfaces to model the behavior of dislocations close to these surfaces and in the presence of voids.

Tailoring Superconductivity with Quantum Dislocations.

PubMed

Li, Mingda; Song, Qichen; Liu, Te-Huan; Meroueh, Laureen; Mahan, Gerald D; Dresselhaus, Mildred S; Chen, Gang

2017-08-09

Despite the established knowledge that crystal dislocations can affect a material's superconducting properties, the exact mechanism of the electron-dislocation interaction in a dislocated superconductor has long been missing. Being a type of defect, dislocations are expected to decrease a material's superconducting transition temperature (T c ) by breaking the coherence. Yet experimentally, even in isotropic type I superconductors, dislocations can either decrease, increase, or have little influence on T c . These experimental findings have yet to be understood. Although the anisotropic pairing in dirty superconductors has explained impurity-induced T c reduction, no quantitative agreement has been reached in the case a dislocation given its complexity. In this study, by generalizing the one-dimensional quantized dislocation field to three dimensions, we reveal that there are indeed two distinct types of electron-dislocation interactions. Besides the usual electron-dislocation potential scattering, there is another interaction driving an effective attraction between electrons that is caused by dislons, which are quantized modes of a dislocation. The role of dislocations to superconductivity is thus clarified as the competition between the classical and quantum effects, showing excellent agreement with existing experimental data. In particular, the existence of both classical and quantum effects provides a plausible explanation for the illusive origin of dislocation-induced superconductivity in semiconducting PbS/PbTe superlattice nanostructures. A quantitative criterion has been derived, in which a dislocated superconductor with low elastic moduli and small electron effective mass and in a confined environment is inclined to enhance T c . This provides a new pathway for engineering a material's superconducting properties by using dislocations as an additional degree of freedom.

Nanocrystalline copper films are never flat

NASA Astrophysics Data System (ADS)

Zhang, Xiaopu; Han, Jian; Plombon, John J.; Sutton, Adrian P.; Srolovitz, David J.; Boland, John J.

2017-07-01

We used scanning tunneling microscopy to study low-angle grain boundaries at the surface of nearly planar copper nanocrystalline (111) films. The presence of grain boundaries and their emergence at the film surface create valleys composed of dissociated edge dislocations and ridges where partial dislocations have recombined. Geometric analysis and simulations indicated that valleys and ridges were created by an out-of-plane grain rotation driven by reduction of grain boundary energy. These results suggest that in general, it is impossible to form flat two-dimensional nanocrystalline films of copper and other metals exhibiting small stacking fault energies and/or large elastic anisotropy, which induce a large anisotropy in the dislocation-line energy.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Mingda; Cui, Wenping; Dresselhaus, Mildred S.

Crystal dislocations govern the plastic mechanical properties of materials but also affect the electrical and optical properties. However, a fundamental and quantitative quantum field theory of a dislocation has remained undiscovered for decades. Here in this article we present an exactly-solvable one-dimensional quantum field theory of a dislocation, for both edge and screw dislocations in an isotropic medium, by introducing a new quasiparticle which we have called the ‘dislon’. The electron-dislocation relaxation time can then be studied directly from the electron self-energy calculation, which is reducible to classical results. In addition, we predict that the electron energy will experience anmore » oscillation pattern near a dislocation. Compared with the electron density’s Friedel oscillation, such an oscillation is intrinsically different since it exists even with only single electron is present. With our approach, the effect of dislocations on materials’ non-mechanical properties can be studied at a full quantum field theoretical level.« less

Electron energy can oscillate near a crystal dislocation

DOE PAGES

Li, Mingda; Cui, Wenping; Dresselhaus, Mildred S.; ...

2017-01-25

Crystal dislocations govern the plastic mechanical properties of materials but also affect the electrical and optical properties. However, a fundamental and quantitative quantum field theory of a dislocation has remained undiscovered for decades. Here in this article we present an exactly-solvable one-dimensional quantum field theory of a dislocation, for both edge and screw dislocations in an isotropic medium, by introducing a new quasiparticle which we have called the ‘dislon’. The electron-dislocation relaxation time can then be studied directly from the electron self-energy calculation, which is reducible to classical results. In addition, we predict that the electron energy will experience anmore » oscillation pattern near a dislocation. Compared with the electron density’s Friedel oscillation, such an oscillation is intrinsically different since it exists even with only single electron is present. With our approach, the effect of dislocations on materials’ non-mechanical properties can be studied at a full quantum field theoretical level.« less

The high temperature impact response of tungsten and chromium

NASA Astrophysics Data System (ADS)

Zaretsky, E. B.; Kanel, G. I.

2017-09-01

The evolution of elastic-plastic shock waves has been studied in pure polycrystalline tungsten and chromium at room and elevated temperatures over propagation distances ranging from 0.05 to 3 mm (tungsten) and from 0.1 to 2 mm (chromium). The use of fused silica windows in all but one experiment with chromium and in several high temperature experiments with tungsten led to the need for performing shock and optic characterization of these windows over the 300-1200 K temperature interval. Experiments with tungsten and chromium samples showed that annealing of the metals transforms the initial ramping elastic wave into a jump-like wave, substantially increasing the Hugoniot elastic limits of the metals. With increased annealing time, the spall strength of the two metals slightly increases. Both at room and at high temperatures, the elastic precursor in the two metals decays in two distinct regimes. At propagation distances smaller than ˜1 mm (tungsten) or ˜0.5 mm (chromium), decay is fast, with the dislocation motion and multiplication being controlled by phonon viscous drag. At greater distances, the rate of decay becomes much lower, with control of the plastic deformation being passed to the thermally activated generation and motion of dislocation double-kinks. The stress at which this transition takes place virtually coincides with the Peierls stress τP of the active glide system. Analysis of the annealing effects in both presently and previously studied BCC metals (i.e., Ta, V, Nb, Mo, W, and Cr) and of the dependencies of their normalized Peierls stresses τP(θ) /τP(0 ) on the normalized temperature θ=T /Tm allows one to conclude that the non-planar, split into several glide planes, structure of the dislocation core in these metals is mainly responsible for their plastic deformation features.

Dislocation pileup as a representation of strain accumulation on a strike-slip fault

USGS Publications Warehouse

Savage, J.C.

2006-01-01

The conventional model of strain accumulation on a vertical transform fault is a discrete screw dislocation in an elastic half-space with the Burgers vector of the dislocation increasing at the rate of relative plate motion. It would be more realistic to replace that discrete dislocation by a dislocation distribution, presumably a pileup in which the individual dislocations are in equilibrium. The length of the pileup depends upon the applied stress and the amount of slip that has occurred at depth. I argue here that the dislocation pileup (the transition on the fault from no slip to slip at the full plate rate) occupies a substantial portion of the lithosphere thickness. A discrete dislocation at an adjustable depth can reproduce the surface deformation profile predicted by a pileup so closely that it will be difficult to distinguish between the two models. The locking depth (dislocation depth) of that discrete dislocation approximation is substantially (???30%) larger than that (depth to top of the pileup) in the pileup model. Thus, in inverting surface deformation data using the discrete dislocation model, the locking depth in the model should not be interpreted as the true locking depth. Although dislocation pileup models should provide a good explanation of the surface deformation near the fault trace, that explanation may not be adequate at greater distances from the fault trace because approximating the expected horizontally distributed deformation at subcrustal depths by uniform slip concentrated on the fault is not justified.

Fundamental Studies of Strengthening Mechanisms in Metals Using Dislocation Dynamics

DTIC Science & Technology

2006-03-26

to quantify the elastic fields of inclusion eigenstrain problems in 2D and 3D (Lerma et al. 2003). The inclusions can be of any shape or size and the... eigenstrains can be arbitrarily assigned, i.e. constant or non-constant within the inclusion. The method works well for material or field points...geometry and misfits. Recently, we have developed a new distributed-dislocation method for modeling eigenstrain problems such as gamma prime inclusions

The core structure and recombination energy of a copper screw dislocation: a Peierls study

NASA Astrophysics Data System (ADS)

Szajewski, B. A.; Hunter, A.; Beyerlein, I. J.

2017-09-01

The recombination process of dislocations is central to cross-slip, and transmission through ?3 grain boundaries among other fundamental plastic deformation processes. Despite its importance, a detailed mechanistic understanding remains lacking. We apply a continuous dislocation model, inspired by Peierls and Nabarro, complete with an ab-initio computed ?-surface and continuous units of infinitesimal dislocation slip, towards computing the stress-dependent recombination path of both an isotropic and anisotropic Cu screw dislocation. Under no applied stress, our model reproduces the stacking fault width between Shockley partial dislocations as predicted by discrete linear elasticity. Upon application of a compressive Escaig stress, the two partial dislocations coalesce to a separation of ??. Upon increased loading the edge components of each partial dislocation recede, leaving behind a spread Peierls screw dislocation, indicating the recombined state. We demonstrate that the critical stress required to achieve the recombined state is independent of the shear modulus. Rather the critical recombination stress depends on an energy difference between an unstable fault energy (?) and the intrinsic stacking fault energy (?-?). We report recombination energies of ?W = 0.168 eV/Å and ?W = 0.084 eV/Å, respectively, for the Cu screw dislocation within isotropic and anisotropic media. We develop an analytic model which provides insight into our simulation results which compare favourably with other (similar) models.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Guangming; Zhou, Zhangjian; Mo, Kun

An application of high-energy wide angle synchrotron X-ray diffraction to investigate the tensile deformation of 9Cr ferritic/martensitic (F/M) ODS steel is presented. With tensile loading and in-situ Xray exposure, the lattice strain development of matrix was determined. The lattice strain was found to decrease with increasing temperature, and the difference in Young's modulus of six different reflections at different temperatures reveals the temperature dependence of elastic anisotropy. The mean internal stress was calculated and compared with the applied stress, showing that the strengthening factor increased with increasing temperature, indicating that the oxide nanoparticles have a good strengthening impact at highmore » temperature. The dislocation density and character were also measured during tensile deformation. The dislocation density decreased with increasing of temperature due to the greater mobility of dislocation at high temperature. The dislocation character was determined by best-fit methods for different dislocation average contrasts with various levels of uncertainty. The results shows edge type dislocations dominate the plastic strain at room temperature (RT) and 300 C, while the screw type dislocations dominate at 600 C. The dominance of edge character in 9Cr F/M ODS steels at RT and 300 C is likely due to the pinning effect of nanoparticles for higher mobile edge dislocations when compared with screw dislocations, while the stronger screw type of dislocation structure at 600 C may be explained by the activated cross slip of screw segments.« less

Displacive transformation of virus protein crystal

NASA Astrophysics Data System (ADS)

Celotto, S.; Pond, R. C.

2003-10-01

A crystalline protein undergoes a displacive transformation in the T-even bacteriophage. In the present work, the transformation mechanism is modelled in terms of interfacial dislocations whose motion gives rise to the observed deformation. The topological properties (Burgers vector, {b}, and `overlap' step height, h) of the dislocations involved are defined rigorously and a recent theory is used that quantifies the diffusional flux arising due to their movement. The circumstance under which passage of transformation dislocations is diffusionless is identified. Thus, dislocation modelling is used successfully to describe a diffusionless displacive transformation in a process where the phenomenological theory of martensite crystallography cannot be applied.

Defect-induced change of temperature-dependent elastic constants in BCC iron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, N.; Setyawan, W.; Zhang, S. H.

2017-07-01

The effects of radiation-induced defects (randomly distributed vacancies, voids, and interstitial dislocation loops) on temperature-dependent elastic constants, C11, C12, and C44 in BCC iron, are studied with molecular dynamics method. The elastic constants are found to decrease with increasing temperatures for all cases containing different defects. The presence of vacancies, voids, or interstitial loops further decreases the elastic constants. For a given number of point defects, the randomly distributed vacancies show the strongest effect compared to voids or interstitial loops. All these results are expected to provide useful information to combine with experimental results for further understanding of radiation damage.

Domain configurations in dislocations embedded hexagonal manganite systems: From the view of graph theory

NASA Astrophysics Data System (ADS)

Cheng, Shaobo; Zhang, Dong; Deng, Shiqing; Li, Xing; Li, Jun; Tan, Guotai; Zhu, Yimei; Zhu, Jing

2018-04-01

Topological defects and their interactions often arouse multiple types of emerging phenomena from edge states in Skyrmions to disclination pairs in liquid crystals. In hexagonal manganites, partial edge dislocations, a prototype topological defect, are ubiquitous and they significantly alter the topologically protected domains and their behaviors. Herein, combining electron microscopy experiment and graph theory analysis, we report a systematic study of the connections and configurations of domains in this dislocation embedded system. Rules for domain arrangement are established. The dividing line between domains, which can be attributed by the strain field of dislocations, is accurately described by a genus model from a higher dimension in the graph theory. Our results open a door for the understanding of domain patterns in topologically protected multiferroic systems.

Strengthening and toughening metallic glasses: The elastic perspectives and opportunities

NASA Astrophysics Data System (ADS)

Liu, Z. Q.; Zhang, Z. F.

2014-04-01

There exist general conflicts between strength and toughness in crystalline engineering materials, and various strengthening and toughening strategies have been developed from the dislocation motion perspectives. Metallic glasses (MGs) have demonstrated great potentials owing to their unique properties; however, their structural applications are strictly limited. One of the key problems is that the traditional strengthening and toughening strategies and mechanisms are not applicable in MGs due to the absence of dislocations and crystalline microstructures. Here, we show that the strength and toughness, or equivalently the shear modulus and Poisson's ratio, are invariably mutually exclusive in MGs. Accordingly, the MGs can be categorized into four groups with different levels of integrated mechanical properties. It is further revealed that the conflicts originate fundamentally from the atomic bonding structures and the levels of strength-toughness combinations are indeed dominated by the bulk modulus. Moreover, we propose novel strategies for optimizing the mechanical properties of MGs from the elastic perspectives. We emphasize the significance of developing high bulk modulus MGs to achieve simultaneously both high strength and good toughness and highlight the elastic opportunities for strengthening and toughening materials.

Study of structure defect interactions in aluminum by the acoustic method. [internal friction in pure aluminum

NASA Technical Reports Server (NTRS)

Nicolaescu, I. I.

1974-01-01

Using echo pulse and resonance rod methods, internal friction in pure aluminum was studied as a function of frequency, hardening temperature, time (internal friction relaxation) and impurity content. These studies led to the conclusion that internal friction in these materials depends strongly on dislocation structure and on elastic interactions between structure defects. It was found experimentally that internal friction relaxation depends on the cooling rate and on the impurity content. Some parameters of the dislocation structure and of the diffusion process were determined. It is shown that the dislocated dependence of internal friction can be used as a method of nondestructive testing of the impurity content of high-purity materials.

Quantifying the effect of hydrogen on dislocation dynamics: A three-dimensional discrete dislocation dynamics framework

NASA Astrophysics Data System (ADS)

Gu, Yejun; El-Awady, Jaafar A.

2018-03-01

We present a new framework to quantify the effect of hydrogen on dislocations using large scale three-dimensional (3D) discrete dislocation dynamics (DDD) simulations. In this model, the first order elastic interaction energy associated with the hydrogen-induced volume change is accounted for. The three-dimensional stress tensor induced by hydrogen concentration, which is in equilibrium with respect to the dislocation stress field, is derived using the Eshelby inclusion model, while the hydrogen bulk diffusion is treated as a continuum process. This newly developed framework is utilized to quantify the effect of different hydrogen concentrations on the dynamics of a glide dislocation in the absence of an applied stress field as well as on the spacing between dislocations in an array of parallel edge dislocations. A shielding effect is observed for materials having a large hydrogen diffusion coefficient, with the shield effect leading to the homogenization of the shrinkage process leading to the glide loop maintaining its circular shape, as well as resulting in a decrease in dislocation separation distances in the array of parallel edge dislocations. On the other hand, for materials having a small hydrogen diffusion coefficient, the high hydrogen concentrations around the edge characters of the dislocations act to pin them. Higher stresses are required to be able to unpin the dislocations from the hydrogen clouds surrounding them. Finally, this new framework can open the door for further large scale studies on the effect of hydrogen on the different aspects of dislocation-mediated plasticity in metals. With minor modifications of the current formulations, the framework can also be extended to account for general inclusion-induced stress field in discrete dislocation dynamics simulations.

Modeling elasticity in crystal growth.

PubMed

Elder, K R; Katakowski, Mark; Haataja, Mikko; Grant, Martin

2002-06-17

A new model of crystal growth is presented that describes the phenomena on atomic length and diffusive time scales. The former incorporates elastic and plastic deformation in a natural manner, and the latter enables access to time scales much larger than conventional atomic methods. The model is shown to be consistent with the predictions of Read and Shockley for grain boundary energy, and Matthews and Blakeslee for misfit dislocations in epitaxial growth.

Bending energy of buckled edge dislocations

NASA Astrophysics Data System (ADS)

Kupferman, Raz

2017-12-01

The study of elastic membranes carrying topological defects has a longstanding history, going back at least to the 1950s. When allowed to buckle in three-dimensional space, membranes with defects can totally relieve their in-plane strain, remaining with a bending energy, whose rigidity modulus is small compared to the stretching modulus. In this paper we study membranes with a single edge dislocation. We prove that the minimum bending energy associated with strain-free configurations diverges logarithmically with the size of the system.

Magnesium Vacancy Segregation and Fast Pipe Diffusion for the ½<110>{110} Edge Dislocation in MgO

NASA Astrophysics Data System (ADS)

Walker, A. M.; Zhang, F.; Wright, K.; Gale, J. D.

2009-12-01

The movement of point defects in minerals plays a key role in determining their rheological properties, both by permitting diffusional creep and by allowing recovery by dislocation climb. Point defect diffusion can also control the kinetics of phase transitions and grain growth, and can determine the rate of chemical equilibration between phases. Because of this, and the difficulties associated with experimental studies of diffusion, the simulation of point defect formation and migration has been a subject of considerable interest in computational mineral physics. So far, studies have concentrated on point defects moving through otherwise perfect crystals. In this work we examine the behavior of magnesium vacancies close to the core of an edge dislocation in MgO and find that the dislocation dramatically changes the behavior of the point defect. An atomic scale model of the ½<110>{110} edge dislocation in MgO was constructed by applying the anisotropic linear elastic displacement field to the crystal structure and subsequently minimizing the energy of the crystal close to the dislocation core using a parameterized potential model. This process yielded the structure of an isolated edge dislocation in an otherwise perfect crystal. The energy cost associated with introducing magnesium vacancies around the dislocation was then mapped and compared to the formation energy of an isolated magnesium vacancy in bulk MgO. We find that the formation energy of magnesium vacancies around the dislocation mirrors the elastic strain field. Above the dislocation line σxx and σyy are negative and the strain field is compressional. Atoms are squeezed together to make room for the extra half plane effectively increasing the pressure in this region. Below the dislocation line σxx and σyy are positive and the strain field is dilatational. Planes of atoms are pulled apart to avoid a discontinuity across the glide plane and the effective pressure is decreased. In the region with a compressional strain field the vacancies become less stable than those in perfect MgO. In contrast, the region with a dilatational strain field hosts vacancies which are stabilized compared to the perfect crystal. This is in agreement with the previously observed tendency for increasing pressure to decrease the stability of vacancies in MgO. The most stable position for a magnesium vacancy was found to be 1.7 eV more stable than the vacancy in the bulk crystal, suggesting that vacancies will strongly partition to dislocations in MgO. Finally, the energy profile traced out by a vacancy moving through the bulk crystal was compared with that experienced by a vacancy moving along the dislocation core. A low energy pathway for vacancy migration along the dislocation line was found with a migration energy of 1.6 eV compared with a migration energy in the perfect crystal of 1.9 eV. This shows that vacancies segregated to the dislocation line will be significantly more mobile than vacancies in the perfect crystal. Dislocations will act as pipes, allowing material to be rapidly transported through crystals of MgO.

Domain configurations in dislocations embedded hexagonal manganite systems: From the view of graph theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, Shaobo; Zhang, Dong; Deng, Shiqing

Topological defects and their interactions often arouse multiple types of emerging phenomena from edge states in Skyrmions to disclination pairs in liquid crystals. In hexagonal manganites, partial edge dislocations, a prototype topological defect, are ubiquitous and they significantly alter the topologically protected domains and their behaviors. In this work, combining electron microscopy experiment and graph theory analysis, we report a systematic study of the connections and configurations of domains in this dislocation embedded system. Rules for domain arrangement are established. The dividing line between domains, which can be attributed by the strain field of dislocations, is accurately described by amore » genus model from a higher dimension in the graph theory. In conclusion, our results open a door for the understanding of domain patterns in topologically protected multiferroic systems.« less

Domain configurations in dislocations embedded hexagonal manganite systems: From the view of graph theory

DOE PAGES

Cheng, Shaobo; Zhang, Dong; Deng, Shiqing; ...

2018-04-19

Topological defects and their interactions often arouse multiple types of emerging phenomena from edge states in Skyrmions to disclination pairs in liquid crystals. In hexagonal manganites, partial edge dislocations, a prototype topological defect, are ubiquitous and they significantly alter the topologically protected domains and their behaviors. In this work, combining electron microscopy experiment and graph theory analysis, we report a systematic study of the connections and configurations of domains in this dislocation embedded system. Rules for domain arrangement are established. The dividing line between domains, which can be attributed by the strain field of dislocations, is accurately described by amore » genus model from a higher dimension in the graph theory. In conclusion, our results open a door for the understanding of domain patterns in topologically protected multiferroic systems.« less

The core structure and recombination energy of a copper screw dislocation: a Peierls study

DOE PAGES

Szajewski, B. A.; Hunter, A.; Beyerlein, I. J.

2017-05-19

The recombination process of dislocations is central to cross-slip, and transmission through Σ3 grain boundaries among other fundamental plastic deformation processes. Despite its importance, a detailed mechanistic understanding remains lacking. In this paper, we apply a continuous dislocation model, inspired by Peierls and Nabarro, complete with an ab-initio computed -surface and continuous units of infinitesimal dislocation slip, towards computing the stress-dependent recombination path of both an isotropic and anisotropic Cu screw dislocation. Under no applied stress, our model reproduces the stacking fault width between Shockley partial dislocations as predicted by discrete linear elasticity. Upon application of a compressive Escaig stress,more » the two partial dislocations coalesce to a separation of ~|b|. Upon increased loading the edge components of each partial dislocation recede, leaving behind a spread Peierls screw dislocation, indicating the recombined state. We demonstrate that the critical stress required to achieve the recombined state is independent of the shear modulus. Rather the critical recombination stress depends on an energy difference between an unstable fault energy (γτ) and the intrinsic stacking fault energy (γτ-γisf). We report recombination energies of ΔW = 0.168 eV/Å and ΔW = 0.084 eV/Å, respectively, for the Cu screw dislocation within isotropic and anisotropic media. Finally, we develop an analytic model which provides insight into our simulation results which compare favourably with other (similar) models.« less

The core structure and recombination energy of a copper screw dislocation: a Peierls study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Szajewski, B. A.; Hunter, A.; Beyerlein, I. J.

The recombination process of dislocations is central to cross-slip, and transmission through Σ3 grain boundaries among other fundamental plastic deformation processes. Despite its importance, a detailed mechanistic understanding remains lacking. In this paper, we apply a continuous dislocation model, inspired by Peierls and Nabarro, complete with an ab-initio computed -surface and continuous units of infinitesimal dislocation slip, towards computing the stress-dependent recombination path of both an isotropic and anisotropic Cu screw dislocation. Under no applied stress, our model reproduces the stacking fault width between Shockley partial dislocations as predicted by discrete linear elasticity. Upon application of a compressive Escaig stress,more » the two partial dislocations coalesce to a separation of ~|b|. Upon increased loading the edge components of each partial dislocation recede, leaving behind a spread Peierls screw dislocation, indicating the recombined state. We demonstrate that the critical stress required to achieve the recombined state is independent of the shear modulus. Rather the critical recombination stress depends on an energy difference between an unstable fault energy (γτ) and the intrinsic stacking fault energy (γτ-γisf). We report recombination energies of ΔW = 0.168 eV/Å and ΔW = 0.084 eV/Å, respectively, for the Cu screw dislocation within isotropic and anisotropic media. Finally, we develop an analytic model which provides insight into our simulation results which compare favourably with other (similar) models.« less

Mechanisms of strain accommodation in plastically-deformed zircon under simple shear deformation conditions during amphibolite-facies metamorphism

NASA Astrophysics Data System (ADS)

Kovaleva, Elizaveta; Klötzli, Urs; Wheeler, John; Habler, Gerlinde

2018-02-01

This study documents the strain accommodation mechanisms in zircon under amphibolite-facies metamorphic conditions in simple shear. Microstructural data from undeformed, fractured and crystal-plastically deformed zircon crystals are described in the context of the host shear zone, and evaluated in the light of zircon elastic anisotropy. Our work challenges the existing model of zircon evolution and shows previously undescribed rheological characteristics for this important accessory mineral. Crystal-plastically deformed zircon grains have axis oriented parallel to the foliation plane, with the majority of deformed grains having axis parallel to the lineation. Zircon accommodates strain by a network of stepped low-angle boundaries, formed by switching between tilt dislocations with the slip systems <100>{010} and < 1 bar 10>{110} and rotation axis [001], twist dislocations with the rotation axis [001], and tilt dislocations with the slip system <100>{001} and rotation axis [010]. The slip system < 1 bar 10>{110} is newly described for zircon. Most misorientation axes in plastically-deformed zircon grains are parallel to the XY plane of the sample and have [001] crystallographic direction. Such behaviour of strained zircon lattice is caused by elastic anisotropy that has a direct geometric control on the rheology, deformation mechanisms and dominant slip systems in zircon. Young's modulus and P wave velocity have highest values parallel to zircon [001] axis, indicating that zircon is elastically strong along this direction. Poisson ratio and Shear modulus demonstrate that zircon is also most resistant to shearing along [001]. Thus, [001] axis is the most common rotation axis in zircon. The described zircon behaviour is important to take into account during structural and geochronological investigations of (poly)metamorphic terrains. Geometry of dislocations in zircon may help reconstructing the geometry of the host shear zone(s), large-scale stresses in the crust, and, possibly, the timing of deformation, if the isotopic systems of deformed zircon were reset.

Structural modifications due to interface chemistry at metal-nitride interfaces

DOE PAGES

Yadav, S. K.; Shao, S.; Wang, J.; ...

2015-11-27

Based on accurate first principles density functional theory (DFT) calculations, an unusual phenomenon of interfacial structural modifications, due to the interface chemistry influence is identified at two metal-nitride interfaces with strong metal-nitrogen affinity, Al/TiN {111} and Al/VN {111} interfaces. It is shown that at such interfaces, a faulted stacking structure is energetically preferred on the Al side of the interface. And both intrinsic and extrinsic stacking fault energies in the vicinity Al layers are negligibly small. However, such phenomenon does not occur in Pt/TiN and Pt/VN interfaces because of the weak Pt-N affinity. As a result, corresponding to structural energiesmore » of metal-nitride interfaces, the linear elasticity analysis predicts characteristics of interfacial misfit dislocations at metal-nitride interfaces.« less

Structural modifications due to interface chemistry at metal-nitride interfaces

PubMed Central

Yadav, S. K.; Shao, S.; Wang, J.; Liu, X.-Y.

2015-01-01

Based on accurate first principles density functional theory (DFT) calculations, an unusual phenomenon of interfacial structural modifications, due to the interface chemistry influence is identified at two metal-nitride interfaces with strong metal-nitrogen affinity, Al/TiN {111} and Al/VN {111} interfaces. It is shown that at such interfaces, a faulted stacking structure is energetically preferred on the Al side of the interface. And both intrinsic and extrinsic stacking fault energies in the vicinity Al layers are negligibly small. However, such phenomenon does not occur in Pt/TiN and Pt/VN interfaces because of the weak Pt-N affinity. Corresponding to structural energies of metal-nitride interfaces, the linear elasticity analysis predicts characteristics of interfacial misfit dislocations at metal-nitride interfaces. PMID:26611639

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

PubMed

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.

Radiation resistance of oxide dispersion strengthened alloys: Perspectives from in situ observations and rate theory calculations

DOE PAGES

Liu, Xiang; Miao, Yinbin; Li, Meimei; ...

2018-04-15

Here, in situ ion irradiation and rate theory calculations were employed to directly compare the radiation resistance of an oxide dispersion strengthened alloy with that of a conventional ferritic/martensitic alloy. Compared to the rapid buildup of dislocation loops, loop growth, and formation of network dislocations in the conventional ferritic/martensitic alloy, the superior radiation resistance of the oxide dispersion strengthened alloy is manifested by its stable dislocation structure under the same irradiation conditions. Thus, the results are consistent with rate theory calculations, which show that high-density nanoparticles can significantly reduce freely migrating defects and suppress the buildup of clustered defects.

Radiation resistance of oxide dispersion strengthened alloys: Perspectives from in situ observations and rate theory calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Xiang; Miao, Yinbin; Li, Meimei

Here, in situ ion irradiation and rate theory calculations were employed to directly compare the radiation resistance of an oxide dispersion strengthened alloy with that of a conventional ferritic/martensitic alloy. Compared to the rapid buildup of dislocation loops, loop growth, and formation of network dislocations in the conventional ferritic/martensitic alloy, the superior radiation resistance of the oxide dispersion strengthened alloy is manifested by its stable dislocation structure under the same irradiation conditions. Thus, the results are consistent with rate theory calculations, which show that high-density nanoparticles can significantly reduce freely migrating defects and suppress the buildup of clustered defects.

Deformation localization and dislocation channel dynamics in neutron-irradiated austenitic stainless steels

DOE PAGES

Gussev, Maxim N.; Field, Kevin G.; Busby, Jeremy T.

2015-02-24

We investigated dynamics of deformation localization and dislocation channel formation in situ in a neutron irradiated AISI 304 austenitic stainless steel and a model 304-based austenitic alloy by combining several analytical techniques including optic microscopy and laser confocal microscopy, scanning electron microscopy, electron backscatter diffraction and transmission electron microscopy. Channel formation was observed at 70% of the formal tensile yield stress for both alloys. It was shown that triple junction points do not always serve as a source of dislocation channels; at stress levels below the yield stress, channels often formed near the middle of the grain boundary. For amore » single grain, the role of elastic stiffness value (Young modulus) in the channel formation was analyzed; it was shown that in the irradiated 304 steels the initial channels appeared in soft grains with a high Schmid factor located near stiff grains with high elastic stiffness. Moreover, the spatial organization of channels in a single grain was analyzed; it was shown that secondary channels operating in the same slip plane as primary channels often appeared at the middle or at one third of the way between primary channels. The twinning nature of dislocation channels was analyzed for grains of different orientation using TEM. Finally, it was shown that in the AISI 304 steel, channels were twin-free in grains oriented close to [001] and [101] of standard unit triangle; [111]-grains and grains oriented close to Schmid factor maximum contained deformation twins.« less

Metal nanoplates: Smaller is weaker due to failure by elastic instability

NASA Astrophysics Data System (ADS)

Ho, Duc Tam; Kwon, Soon-Yong; Park, Harold S.; Kim, Sung Youb

2017-11-01

Under mechanical loading, crystalline solids deform elastically, and subsequently yield and fail via plastic deformation. Thus crystalline materials experience two mechanical regimes: elasticity and plasticity. Here, we provide numerical and theoretical evidence to show that metal nanoplates exhibit an intermediate mechanical regime that occurs between elasticity and plasticity, which we call the elastic instability regime. The elastic instability regime begins with a decrease in stress, during which the nanoplates fail via global, and not local, deformation mechanisms that are distinctly different from traditional dislocation-mediated plasticity. Because the nanoplates fail via elastic instability, the governing strength criterion is the ideal strength, rather than the yield strength, and as a result, we observe a unique "smaller is weaker" trend. We develop a simple surface-stress-based analytic model to predict the ideal strength of the metal nanoplates, which accurately reproduces the smaller is weaker behavior observed in the atomistic simulations.

Coupling continuum dislocation transport with crystal plasticity for application to shock loading conditions

DOE PAGES

Luscher, Darby Jon; Mayeur, Jason Rhea; Mourad, Hashem Mohamed; ...

2015-08-05

Here, we have developed a multi-physics modeling approach that couples continuum dislocation transport, nonlinear thermoelasticity, crystal plasticity, and consistent internal stress and deformation fields to simulate the single-crystal response of materials under extreme dynamic conditions. Dislocation transport is modeled by enforcing dislocation conservation at a slip-system level through the solution of advection-diffusion equations. Nonlinear thermoelasticity provides a thermodynamically consistent equation of state to relate stress (including pressure), temperature, energy densities, and dissipation. Crystal plasticity is coupled to dislocation transport via Orowan's expression where the constitutive description makes use of recent advances in dislocation velocity theories applicable under extreme loading conditions.more » The configuration of geometrically necessary dislocation density gives rise to an internal stress field that can either inhibit or accentuate the flow of dislocations. An internal strain field associated with the internal stress field contributes to the kinematic decomposition of the overall deformation. The paper describes each theoretical component of the framework, key aspects of the constitutive theory, and some details of a one-dimensional implementation. Results from single-crystal copper plate impact simulations are discussed in order to highlight the role of dislocation transport and pile-up in shock loading regimes. The main conclusions of the paper reinforce the utility of the modeling approach to shock problems.« less

Reconfigurable interactions and three-dimensional patterning of colloidal particles and defects in lamellar soft media

PubMed Central

Trivedi, Rahul P.; Klevets, Ivan I.; Senyuk, Bohdan; Lee, Taewoo; Smalyukh, Ivan I.

2012-01-01

Colloidal systems find important applications ranging from fabrication of photonic crystals to direct probing of phenomena typically encountered in atomic crystals and glasses. New applications—such as nanoantennas, plasmonic sensors, and nanocircuits—pose a challenge of achieving sparse colloidal assemblies with tunable interparticle separations that can be controlled at will. We demonstrate reconfigurable multiscale interactions and assembly of colloids mediated by defects in cholesteric liquid crystals that are probed by means of laser manipulation and three-dimensional imaging. We find that colloids attract via distance-independent elastic interactions when pinned to the ends of cholesteric oily streaks, line defects at which one or more layers are interrupted. However, dislocations and oily streaks can also be optically manipulated to induce kinks, allowing one to lock them into the desired configurations that are stabilized by elastic energy barriers for structural transformation of the particle-connecting defects. Under the influence of elastic energy landscape due to these defects, sublamellar-sized colloids self-assemble into structures mimicking the cores of dislocations and oily streaks. Interactions between these defect-embedded colloids can be varied from attractive to repulsive by optically introducing dislocation kinks. The reconfigurable nature of defect–particle interactions allows for patterning of defects by manipulation of colloids and, in turn, patterning of particles by these defects, thus achieving desired colloidal configurations on scales ranging from the size of defect core to the sample size. This defect-colloidal sculpturing may be extended to other lamellar media, providing the means for optically guided self-assembly of mesoscopic composites with predesigned properties. PMID:22411822

Atomistic simulations of stainless steels: a many-body potential for the Fe-Cr-C system.

PubMed

Henriksson, K O E; Björkas, C; Nordlund, K

2013-11-06

Stainless steels found in real-world applications usually have some C content in the base Fe-Cr alloy, resulting in hard and dislocation-pinning carbides-Fe3C (cementite) and Cr23C6-being present in the finished steel product. The higher complexity of the steel microstructure has implications, for example, for the elastic properties and the evolution of defects such as Frenkel pairs and dislocations. This makes it necessary to re-evaluate the effects of basic radiation phenomena and not simply to rely on results obtained from purely metallic Fe-Cr alloys. In this report, an analytical interatomic potential parameterization in the Abell-Brenner-Tersoff form for the entire Fe-Cr-C system is presented to enable such calculations. The potential reproduces, for example, the lattice parameter(s), formation energies and elastic properties of the principal Fe and Cr carbides (Fe3C, Fe5C2, Fe7C3, Cr3C2, Cr7C3, Cr23C6), the Fe-Cr mixing energy curve, formation energies of simple C point defects in Fe and Cr, and the martensite lattice anisotropy, with fair to excellent agreement with empirical results. Tests of the predictive power of the potential show, for example, that Fe-Cr nanowires and bulk samples become elastically stiffer with increasing Cr and C concentrations. High-concentration nanowires also fracture at shorter relative elongations than wires made of pure Fe. Also, tests with Fe3C inclusions show that these act as obstacles for edge dislocations moving through otherwise pure Fe.

Atomistic simulations of stainless steels: a many-body potential for the Fe-Cr-C system

NASA Astrophysics Data System (ADS)

Henriksson, K. O. E.; Björkas, C.; Nordlund, K.

2013-11-01

Stainless steels found in real-world applications usually have some C content in the base Fe-Cr alloy, resulting in hard and dislocation-pinning carbides—Fe3C (cementite) and Cr23C6—being present in the finished steel product. The higher complexity of the steel microstructure has implications, for example, for the elastic properties and the evolution of defects such as Frenkel pairs and dislocations. This makes it necessary to re-evaluate the effects of basic radiation phenomena and not simply to rely on results obtained from purely metallic Fe-Cr alloys. In this report, an analytical interatomic potential parameterization in the Abell-Brenner-Tersoff form for the entire Fe-Cr-C system is presented to enable such calculations. The potential reproduces, for example, the lattice parameter(s), formation energies and elastic properties of the principal Fe and Cr carbides (Fe3C, Fe5C2, Fe7C3, Cr3C2, Cr7C3, Cr23C6), the Fe-Cr mixing energy curve, formation energies of simple C point defects in Fe and Cr, and the martensite lattice anisotropy, with fair to excellent agreement with empirical results. Tests of the predictive power of the potential show, for example, that Fe-Cr nanowires and bulk samples become elastically stiffer with increasing Cr and C concentrations. High-concentration nanowires also fracture at shorter relative elongations than wires made of pure Fe. Also, tests with Fe3C inclusions show that these act as obstacles for edge dislocations moving through otherwise pure Fe.

Electronic and optical properties of GaN/AlN quantum dots with adjacent threading dislocations

NASA Astrophysics Data System (ADS)

Ye, Han; Lu, Peng-Fei; Yu, Zhong-Yuan; Yao, Wen-Jie; Chen, Zhi-Hui; Jia, Bo-Yong; Liu, Yu-Min

2010-04-01

We present a theory to simulate a coherent GaN QD with an adjacent pure edge threading dislocation by using a finite element method. The piezoelectric effects and the strain modified band edges are investigated in the framework of multi-band k · p theory to calculate the electron and the heavy hole energy levels. The linear optical absorption coefficients corresponding to the interband ground state transition are obtained via the density matrix approach and perturbation expansion method. The results indicate that the strain distribution of the threading dislocation affects the electronic structure. Moreover, the ground state transition behaviour is also influenced by the position of the adjacent threading dislocation.

The impact of model prediction error in designing geodetic networks for crustal deformation applications

NASA Astrophysics Data System (ADS)

Murray, J. R.

2017-12-01

Earth surface displacements measured at Global Navigation Satellite System (GNSS) sites record crustal deformation due, for example, to slip on faults underground. A primary objective in designing geodetic networks to study crustal deformation is to maximize the ability to recover parameters of interest like fault slip. Given Green's functions (GFs) relating observed displacement to motion on buried dislocations representing a fault, one can use various methods to estimate spatially variable slip. However, assumptions embodied in the GFs, e.g., use of a simplified elastic structure, introduce spatially correlated model prediction errors (MPE) not reflected in measurement uncertainties (Duputel et al., 2014). In theory, selection algorithms should incorporate inter-site correlations to identify measurement locations that give unique information. I assess the impact of MPE on site selection by expanding existing methods (Klein et al., 2017; Reeves and Zhe, 1999) to incorporate this effect. Reeves and Zhe's algorithm sequentially adds or removes a predetermined number of data according to a criterion that minimizes the sum of squared errors (SSE) on parameter estimates. Adapting this method to GNSS network design, Klein et al. select new sites that maximize model resolution, using trade-off curves to determine when additional resolution gain is small. Their analysis uses uncorrelated data errors and GFs for a uniform elastic half space. I compare results using GFs for spatially variable strike slip on a discretized dislocation in a uniform elastic half space, a layered elastic half space, and a layered half space with inclusion of MPE. I define an objective criterion to terminate the algorithm once the next site removal would increase SSE more than the expected incremental SSE increase if all sites had equal impact. Using a grid of candidate sites with 8 km spacing, I find the relative value of the selected sites (defined by the percent increase in SSE that further removal of each site would cause) is more uniform when MPE is included. However, the number and distribution of selected sites depends primarily on site location relative to the fault. For this test case, inclusion of MPE has minimal practical impact; I will investigate whether these findings hold for more densely spaced candidate grids and dipping faults.

Dislocation Mobility and Anomalous Shear Modulus Effect in ^4He Crystals

NASA Astrophysics Data System (ADS)

Malmi-Kakkada, Abdul N.; Valls, Oriol T.; Dasgupta, Chandan

2017-02-01

We calculate the dislocation glide mobility in solid ^4He within a model that assumes the existence of a superfluid field associated with dislocation lines. Prompted by the results of this mobility calculation, we study within this model the role that such a superfluid field may play in the motion of the dislocation line when a stress is applied to the crystal. To do this, we relate the damping of dislocation motion, calculated in the presence of the assumed superfluid field, to the shear modulus of the crystal. As the temperature increases, we find that a sharp drop in the shear modulus will occur at the temperature where the superfluid field disappears. We compare the drop in shear modulus of the crystal arising from the temperature dependence of the damping contribution due to the superfluid field, to the experimental observation of the same phenomena in solid ^4He and find quantitative agreement. Our results indicate that such a superfluid field plays an important role in dislocation pinning in a clean solid ^4He at low temperatures and in this regime may provide an alternative source for the unusual elastic phenomena observed in solid ^4He.

Free energy change of a dislocation due to a Cottrell atmosphere

NASA Astrophysics Data System (ADS)

Sills, R. B.; Cai, W.

2018-06-01

The free energy reduction of a dislocation due to a Cottrell atmosphere of solutes is computed using a continuum model. We show that the free energy change is composed of near-core and far-field components. The far-field component can be computed analytically using the linearized theory of solid solutions. Near the core the linearized theory is inaccurate, and the near-core component must be computed numerically. The influence of interactions between solutes in neighbouring lattice sites is also examined using the continuum model. We show that this model is able to reproduce atomistic calculations of the nickel-hydrogen system, predicting hydride formation on dislocations. The formation of these hydrides leads to dramatic reductions in the free energy. Finally, the influence of the free energy change on a dislocation's line tension is examined by computing the equilibrium shape of a dislocation shear loop and the activation stress for a Frank-Read source using discrete dislocation dynamics.

Doubly anharmonic oscillator under the topological effects of a screw dislocation

NASA Astrophysics Data System (ADS)

Bakke, Knut

2018-05-01

We consider an elastic medium with the distortion of a circular curve into a vertical spiral, and investigate the influence of this topological defect on the doubly anharmonic oscillator. We show that the Schrödinger equation for the doubly anharmonic oscillator in the presence of this linear topological defect can be solved analytically. We also obtain the exact expressions for the permitted energies of the ground state of the doubly anharmonic oscillator, and show that the topology of the screw dislocation modifies the spectrum of energy of the doubly anharmonic oscillator.

Strengthening and toughening metallic glasses: The elastic perspectives and opportunities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Z. Q.; Zhang, Z. F., E-mail: zhfzhang@imr.ac.cn

2014-04-28

There exist general conflicts between strength and toughness in crystalline engineering materials, and various strengthening and toughening strategies have been developed from the dislocation motion perspectives. Metallic glasses (MGs) have demonstrated great potentials owing to their unique properties; however, their structural applications are strictly limited. One of the key problems is that the traditional strengthening and toughening strategies and mechanisms are not applicable in MGs due to the absence of dislocations and crystalline microstructures. Here, we show that the strength and toughness, or equivalently the shear modulus and Poisson's ratio, are invariably mutually exclusive in MGs. Accordingly, the MGs canmore » be categorized into four groups with different levels of integrated mechanical properties. It is further revealed that the conflicts originate fundamentally from the atomic bonding structures and the levels of strength-toughness combinations are indeed dominated by the bulk modulus. Moreover, we propose novel strategies for optimizing the mechanical properties of MGs from the elastic perspectives. We emphasize the significance of developing high bulk modulus MGs to achieve simultaneously both high strength and good toughness and highlight the elastic opportunities for strengthening and toughening materials.« less

Properties of a Laser Shock Wave in Al-Cu Alloy under Elevated Temperatures: A Molecular Dynamics Simulation Study

PubMed Central

Meng, Xiankai; Zhou, Jianzhong; Huang, Shu; Su, Chun; Sheng, Jie

2017-01-01

The laser shock wave (LSW) generated by the interaction between a laser and a material has been widely used in laser manufacturing, such as laser shock peening and laser shock forming. However, due to the high strain rate, the propagation of LSW in materials, especially LSW at elevated temperatures, is difficult to study through experimental methods. A molecular dynamics simulation was used in this study to investigate the propagation of LSW in an Al-Cu alloy. The Hugoniot relations of LSW were obtained at different temperatures and the effects of elevated temperatures on shock velocity and shock pressure were analyzed. Then the elastic and plastic wave of the LSW was researched. Finally, the evolution of dislocations induced by LSW and its mechanism under elevated temperatures was explored. The results indicate that the shock velocity and shock pressure induced by LSW both decrease with the increasing temperatures. Moreover, the velocity of elastic wave and plastic wave both decrease with the increasing treatment temperature, while their difference decreases as the temperature increases. Moreover, the dislocation atoms increases with the increasing temperatures before 2 ps, while it decreases with the increasing temperatures after 2 ps. The reason for the results is related to the formation and evolution of extended dislocations. PMID:28772433

Properties of a Laser Shock Wave in Al-Cu Alloy under Elevated Temperatures: A Molecular Dynamics Simulation Study.

PubMed

Meng, Xiankai; Zhou, Jianzhong; Huang, Shu; Su, Chun; Sheng, Jie

2017-01-18

The laser shock wave (LSW) generated by the interaction between a laser and a material has been widely used in laser manufacturing, such as laser shock peening and laser shock forming. However, due to the high strain rate, the propagation of LSW in materials, especially LSW at elevated temperatures, is difficult to study through experimental methods. A molecular dynamics simulation was used in this study to investigate the propagation of LSW in an Al-Cu alloy. The Hugoniot relations of LSW were obtained at different temperatures and the effects of elevated temperatures on shock velocity and shock pressure were analyzed. Then the elastic and plastic wave of the LSW was researched. Finally, the evolution of dislocations induced by LSW and its mechanism under elevated temperatures was explored. The results indicate that the shock velocity and shock pressure induced by LSW both decrease with the increasing temperatures. Moreover, the velocity of elastic wave and plastic wave both decrease with the increasing treatment temperature, while their difference decreases as the temperature increases. Moreover, the dislocation atoms increases with the increasing temperatures before 2 ps, while it decreases with the increasing temperatures after 2 ps. The reason for the results is related to the formation and evolution of extended dislocations.

Geometrically Nonlinear Field Fracture Mechanics and Crack Nucleation, Application to Strain Localization Fields in Al-Cu-Li Aerospace Alloys.

PubMed

Gupta, Satyapriya; Taupin, Vincent; Fressengeas, Claude; Jrad, Mohamad

2018-03-27

The displacement discontinuity arising between crack surfaces is assigned to smooth densities of crystal defects referred to as disconnections, through the incompatibility of the distortion tensor. In a dual way, the disconnections are defined as line defects terminating surfaces where the displacement encounters a discontinuity. A conservation statement for the crack opening displacement provides a framework for disconnection dynamics in the form of transport laws. A similar methodology applied to the discontinuity of the plastic displacement due to dislocations results in the concurrent involvement of dislocation densities in the analysis. Non-linearity of the geometrical setting is assumed for defining the elastic distortion incompatibility in the presence of both dislocations and disconnections, as well as for their transport. Crack nucleation in the presence of thermally-activated fluctuations of the atomic order is shown to derive from this nonlinearity in elastic brittle materials, without any algorithmic rule or ad hoc material parameter. Digital image correlation techniques applied to the analysis of tensile tests on ductile Al-Cu-Li samples further demonstrate the ability of the disconnection density concept to capture crack nucleation and relate strain localization bands to consistent disconnection fields and to the eventual occurrence of complex and combined crack modes in these alloys.

Debye screening of dislocations.

PubMed

Groma, I; Györgyi, G; Kocsis, B

2006-04-28

Debye-like screening by edge dislocations of some externally given stress is studied by means of a variational approach to coarse grained field theory. Explicitly given are the force field and the induced geometrically necessary dislocation (GND) distribution, in the special case of a single glide axis in 2D, for (i) a single edge dislocation and (ii) a dislocation wall. Numerical simulation demonstrates that the correlation in relaxed dislocation configurations is in good agreement with the induced GND in case (i). Furthermore, the result (ii) well predicts the experimentally observed decay length for the GND developing close to grain boundaries.

Structural Rheology of the Smectic Phase

PubMed Central

Fujii, Shuji; Komura, Shigeyuki; Lu, Chun-Yi David

2014-01-01

In this review article, we discuss the rheological properties of the thermotropic smectic liquid crystal 8CB with focal conic domains (FCDs) from the viewpoint of structural rheology. It is known that the unbinding of the dislocation loops in the smectic phase drives the smectic-nematic transition. Here we discuss how the unbinding of the dislocation loops affects the evolution of the FCD size, linear and nonlinear rheological behaviors of the smectic phase. By studying the FCD formation from the perpendicularly oriented smectic layers, we also argue that dislocations play a key role in the structural development in layered systems. Furthermore, similarities in the rheological behavior between the FCDs in the smectic phase and the onion structures in the lyotropic lamellar phase suggest that these systems share a common physical origin for the elasticity. PMID:28788123

Marketing Strategies Preferred by South Carolina One-Stop Career Center Area Directors to Attract Dislocated Workers under the Workforce Investment Act of 1998: Policy Implications

ERIC Educational Resources Information Center

Ratliff, Eugene F.

2011-01-01

The purpose of this study was to determine the marketing strategies South Carolina One-Stop Career Centers Area Directors felt provided the best opportunity for dislocated workers to learn about their services. Two theories emerged: the Service Marketing Theory and the Word-of-Mouth Marketing Theory. Of the 36 area directors cited for this study,…

All the Missiles Work: Technological Dislocations and Military Innovation: A Case Study in US Air Force Air-to-Air Armament, Post-World War II through Operation Rolling Thunder

DTIC Science & Technology

2015-01-01

technological momentum attempted to reconcile two of the disparate perspectives???social constructivism and technological determinism . The theory of...perspectives—social constructivism and technological determinism . The theory of technological dislocations advanced by this thesis is a refinement of...constructivism to technological determinism is unidirectional.114 His theory therefore tends to focus historical analysis on characterizing the

Quantifying the errors due to the superposition of analytical deformation sources

NASA Astrophysics Data System (ADS)

Neuberg, J. W.; Pascal, K.

2012-04-01

The displacement field due to magma movement in the subsurface is often modelled using a Mogi point source or a dislocation Okada source embedded in a homogeneous elastic half-space. When the magmatic system cannot be modelled by a single source it is often represented by several sources, their respective deformation fields are superimposed. However, in such a case the assumption of homogeneity in the half-space is violated and the interaction between sources in an elastic medium is neglected. In this investigation we have quantified the effects of neglecting the interaction between sources on the surface deformation field. To do so, we calculated the vertical and horizontal displacements for models with adjacent sources and we tested them against the solutions of corresponding numerical 3D finite element models. We implemented several models combining spherical pressure sources and dislocation sources, varying the pressure or dislocation of the sources and their relative position. We also investigated three numerical methods to model a dike as a dislocation tensile source or as a pressurized tabular crack. We found that the discrepancies between simple superposition of the displacement field and a fully interacting numerical solution depend mostly on the source types and on their spacing. The errors induced when neglecting the source interaction are expected to vary greatly with the physical and geometrical parameters of the model. We demonstrated that for certain scenarios these discrepancies can be neglected (<5%) when the sources are separated by at least 4 radii for two combined Mogi sources and by at least 3 radii for juxtaposed Mogi and Okada sources

A Mathematical Model for Plasticity and Cosmology

NASA Astrophysics Data System (ADS)

Muñoz-Andrade, Juan Daniel

2007-05-01

In the scenery of a crystalline universe, embedded and related in a spatially extended polycrystalline system, with a relativistic framework, the constancy of the speed of light is the cosmic connection between the Planck length and the Hubble length, As a matter of fact, in the general relativity theory the gravitational interaction is propagated at the speed of light and when the gravitational field changed, the gravitational waves are produced in a similar form of an elastic field with dislocations in a crystal during plastic flow. Moreover, the nature role of a field in relativistic physics shows that it is an independent physical entity that should be considered on the same grounds as matter particles and it possesses energy and momentum. Consequently, in this work a mathematical model for plasticity and cosmology is proposed and some properties of the universe are obtained.

Structure and Mobility of Dissociated Vacancies at Twist Grain Boundaries and Screw Dislocations in Ionic Rocksalt Compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kolluri, Kedarnath; Martinez Saez, Enrique; Uberuaga, Blas Pedro

Interfaces, grain boundaries, and dislocations are known to have significant impact on the transport properties of materials. Even so, it is still not clear how the structure of interfaces influences the mobility and concentration of carriers that are responsible for transport. Using low angle twist grain boundaries in MgO as a model system, we examine the structural and kinetic properties of vacancies. These boundaries are characterized by a network of screw dislocations. Vacancies of both types, Mg and O, are strongly attracted to the dislocation network, residing preferentially at the misfit dislocation intersections (MDIs). However, the vacancies can lower theirmore » energy by splitting into two parts, which then repel each other along the dislocation line between two MDIs, further lowering their energy. This dissociated structure has important consequences for transport, as the free energy of the dissociated vacancies decreases with decreasing twist angle, leading to an increase in the net migration barrier for diffusion as revealed by molecular dynamics simulations. Similar behavior is observed in BaO and NaCl, highlighting the generality of the behavior. Finally, we analyze the structure of the dissociated vacancies as a pair of jogs on the dislocation and construct a model containing electrostatic and elastic contributions that qualitatively describe the energetics of the dissociated vacancy. Our results represent the first validation of a mechanism for vacancy dissociation on screw dislocations in ionic materials first discussed by Thomson and Balluffi in 1962.« less

A phase field dislocation dynamics model for a bicrystal interface system: An investigation into dislocation slip transmission across cube-on-cube interfaces

DOE PAGES

Zeng, Y.; Hunter, A.; Beyerlein, I. J.; ...

2015-09-14

In this study, we present a phase field dislocation dynamics formulation designed to treat a system comprised of two materials differing in moduli and lattice parameters that meet at a common interface. We apply the model to calculate the critical stress τ crit required to transmit a perfect dislocation across the bimaterial interface with a cube-on-cube orientation relationship. The calculation of τ crit accounts for the effects of: 1) the lattice mismatch (misfit or coherency stresses), 2) the elastic moduli mismatch (Koehler forces or image stresses), and 3) the formation of the residual dislocation in the interface. Our results showmore » that the value of τ crit associated with the transmission of a dislocation from material 1 to material 2 is not the same as that from material 2 to material 1. Dislocation transmission from the material with the lower shear modulus and larger lattice parameter tends to be easier than the reverse and this apparent asymmetry in τ crit generally increases with increases in either lattice or moduli mismatch or both. In efforts to clarify the roles of lattice and moduli mismatch, we construct an analytical model for τcrit based on the formation energy of the residual dislocation. We show that path dependence in this energetic barrier can explain the asymmetry seen in the calculated τ crit values.« less

Structure and Mobility of Dissociated Vacancies at Twist Grain Boundaries and Screw Dislocations in Ionic Rocksalt Compounds

DOE PAGES

Kolluri, Kedarnath; Martinez Saez, Enrique; Uberuaga, Blas Pedro

2018-03-05

Interfaces, grain boundaries, and dislocations are known to have significant impact on the transport properties of materials. Even so, it is still not clear how the structure of interfaces influences the mobility and concentration of carriers that are responsible for transport. Using low angle twist grain boundaries in MgO as a model system, we examine the structural and kinetic properties of vacancies. These boundaries are characterized by a network of screw dislocations. Vacancies of both types, Mg and O, are strongly attracted to the dislocation network, residing preferentially at the misfit dislocation intersections (MDIs). However, the vacancies can lower theirmore » energy by splitting into two parts, which then repel each other along the dislocation line between two MDIs, further lowering their energy. This dissociated structure has important consequences for transport, as the free energy of the dissociated vacancies decreases with decreasing twist angle, leading to an increase in the net migration barrier for diffusion as revealed by molecular dynamics simulations. Similar behavior is observed in BaO and NaCl, highlighting the generality of the behavior. Finally, we analyze the structure of the dissociated vacancies as a pair of jogs on the dislocation and construct a model containing electrostatic and elastic contributions that qualitatively describe the energetics of the dissociated vacancy. Our results represent the first validation of a mechanism for vacancy dissociation on screw dislocations in ionic materials first discussed by Thomson and Balluffi in 1962.« less

Multiscale Modeling of Inclusions and Precipitation Hardening in Metal Matrix Composites: Application to Advanced High-Strength Steels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Askari, Hesam; Zbib, Hussein M.; Sun, Xin

In this study, the strengthening effect of inclusions and precipitates in metals is investigated within a multiscale approach that utilizes models at various length scales, namely, Molecular Mechanics (MM), discrete Dislocation Dynamics (DD), and an Eigenstrain Inclusion Method (EIM). Particularly, precipitates are modeled as hardsoft particles whose stress fields interact with dislocations. The stress field resulting from the elastic mismatch between the particles and the matrix is accounted for through the EIM. While the MM method is employed for the purpose of developing rules for DD for short range interaction between a single dislocation and an inclusion, the DD methodmore » is used to predict the strength of the composite resulting from the interaction between ensembles of dislocations and particles. As an application to this method, the mechanical behavior of Advanced High Strength Steel (AHSS) is investigated and the results are then compared to the experimental data. The results show that the finely dispersive precipitates can strengthen the material by pinning the dislocations up to a certain shear stress and retarding the recovery, as well as annihilation of dislocations. The DD results show that strengthening due to nano sized particles is a function of the density and size of the precipitates. This size effect is then explained using a mechanistic model developed based on dislocation-particle interaction.« less

Dislocation density evolution of AA 7020-T6 investigated by in-situ synchrotron diffraction under tensile load

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhong, Z.Y., E-mail: zhengye.zhong@hzg.de; Helmholtz-Zentrum Geesthacht, Max-Planck-Straße 1, D-21502 Geesthacht; Brokmeier, H.-G.

2015-10-15

The dislocation density evolution along the loading axis of a textured AA 7020-T6 aluminum alloy during uniaxial tension was investigated by in-situ synchrotron diffraction. The highly parallel synchrotron beam at the High Energy Materials Science beamline P07 in PETRA III, DESY, offers excellent conditions to separate different influences for line broadening from which micro-strains are obtained using the modified Williamson–Hall method which is also for defect density investigations. During tensile loading the dislocation density evolution was documented from the as-received material (initial micro-strain state) to the relaxation of the strains during elastic deformation. After yield, the increasing rate of dislocationmore » density growth was relatively fast till half-way between yield and UTS. After that, the rate started to decrease and the dislocation density fluctuated as the elongation increased due to the generation and annihilation of dislocations. When dislocation generation is dominant, the correlation between the flow stress and dislocation density satisfies the Taylor equation. Besides, a method to correct the thickness effect on peak broadening is developed in the present study. - Highlights: • In-situ synchrotron diffraction was applied to characterize peak broadening. • Dislocation evolution along the loading axis during uniaxial tension was investigated. • A method to correct the sample thickness effect on peak broadening was developed. • Dislocation density and flow stress satisfy the Taylor equation at a certain range. • The texture before load and after sample fracture was analyzed.« less

Quantitative prediction of solute strengthening in aluminium alloys.

PubMed

Leyson, Gerard Paul M; Curtin, William A; Hector, Louis G; Woodward, Christopher F

2010-09-01

Despite significant advances in computational materials science, a quantitative, parameter-free prediction of the mechanical properties of alloys has been difficult to achieve from first principles. Here, we present a new analytic theory that, with input from first-principles calculations, is able to predict the strengthening of aluminium by substitutional solute atoms. Solute-dislocation interaction energies in and around the dislocation core are first calculated using density functional theory and a flexible-boundary-condition method. An analytic model for the strength, or stress to move a dislocation, owing to the random field of solutes, is then presented. The theory, which has no adjustable parameters and is extendable to other metallic alloys, predicts both the energy barriers to dislocation motion and the zero-temperature flow stress, allowing for predictions of finite-temperature flow stresses. Quantitative comparisons with experimental flow stresses at temperature T=78 K are made for Al-X alloys (X=Mg, Si, Cu, Cr) and good agreement is obtained.

Direct prediction of the solute softening-to-hardening transition in W–Re alloys using stochastic simulations of screw dislocation motion

NASA Astrophysics Data System (ADS)

Zhao, Yue; Marian, Jaime

2018-06-01

Interactions among dislocations and solute atoms are the basis of several important processes in metal plasticity. In body-centered cubic (bcc) metals and alloys, low-temperature plastic flow is controlled by screw dislocation glide, which is known to take place by the nucleation and sideward relaxation of kink pairs across two consecutive Peierls valleys. In alloys, dislocations and solutes affect each other’s kinetics via long-range stress field coupling and short-range inelastic interactions. It is known that in certain substitutional bcc alloys a transition from solute softening to solute hardening is observed at a critical concentration. In this paper, we develop a kinetic Monte Carlo model of screw dislocation glide and solute diffusion in substitutional W–Re alloys. We find that dislocation kinetics is governed by two competing mechanisms. At low solute concentrations, nucleation is enhanced by the softening of the Peierls stress, which dominates over the elastic repulsion of Re atoms on kinks. This trend is reversed at higher concentrations, resulting in a minimum in the flow stress that is concentration and temperature dependent. This minimum marks the transition from solute softening to hardening, which is found to be in reasonable agreement with experiments.

Mineral Replacement Reactions as a Precursor to Strain Localisation: an (HR-)EBSD approach

NASA Astrophysics Data System (ADS)

Gardner, J.; Wheeler, J.; Wallis, D.; Hansen, L. N.; Mariani, E.

2017-12-01

Much remains to be learned about the links between metamorphism and deformation. Our work investigates the behaviour of fluid-mediated mineral replacement reaction products when exposed to subsequent shear stresses. We focus on albite from a metagabbro that has experienced metamorphism and subsequent deformation at greenschist facies, resulting in a reduction in grain size and associated strain localisation. EBSD maps show that prior to grain size reduction, product grains are highly distorted, yet they formed, and subsequently deformed, at temperatures at which extensive dislocation creep is unlikely. The Weighted Burgers Vector can be used to quantitatively describe the types of Burgers vectors present in geometrically necessary dislocation (GND) populations derived from 2-D EBSD map data. Application of this technique to the distorted product grains reveals the prominence of, among others, dislocations with apparent [010] Burgers vectors. This supports (with some caveats) the idea that dislocation creep is not responsible for the observed lattice distortion, as there are no known slip systems in plagioclase with a [010] Burgers vector. Distortion in a replacement microstructure has also been attributed to the presence of nanoscale product grains, which share very similar, but not identical, orientations due to topotactic nucleation from adjacent sites on the same substrate. As a precipitate, the product grains should be expected to be largely free of elastic strain. However, high angular resolution EBSD results demonstrate that product grains contain both elastic strains (> 10-3) and residual stresses (several hundred MPa), as well as GND densities on the order of 1014-1015 m-2. Thus we suggest the observed distortion (elastic strain plus rotations) in the lattice is produced during the mineral replacement reaction by a lattice mismatch and volume change between parent and product. Stored strain energy then provides a driving force for recovery and recrystallization. Recrystallization produces smaller grains with high angle boundaries, reducing the strength of, and allowing deformation to localise in, the albite phase. Grain size reduction in turn facilitates shear deformation to high strains by a grain size sensitive mechanism (fluid-assisted diffusion creep).

Modal analysis of dislocation vibration and reaction attempt frequency

DOE PAGES

Sobie, Cameron; Capolungo, Laurent; McDowell, David L.; ...

2017-02-04

Transition state theory is a fundamental approach for temporal coarse-graining. It estimates the reaction rate for a transition processes by quantifying the activation free energy and attempt frequency for the unit process. To calculate the transition rate of a gliding dislocation, the attempt frequency is often obtained from line tension estimates of dislocation vibrations, a highly simplified model of dislocation behavior. This work revisits the calculation of attempt frequency for a dislocation bypassing an obstacle, in this case a self-interstitial atom (SIA) loop. First, a direct calculation of the vibrational characteristics of a finite pinned dislocation segment is compared tomore » line tension estimates before moving to the more complex case of dislocation-obstacle bypass. The entropic factor associated with the attempt frequency is calculated for a finite dislocation segment and for an infinite glide dislocation interacting with an SIA loop. Lastly, it is found to be dislocation length independent for three cases of dislocation-self interstitial atom (SIA) loop interactions.« less

Birefringence and incipient plastic deformation in elastically overdriven [100] CaF2 under shock compression

NASA Astrophysics Data System (ADS)

Li, Y.; Zhou, X. M.; Cai, Y.; Liu, C. L.; Luo, S. N.

2018-04-01

[100] CaF2 single crystals are shock-compressed via symmetric planar impact, and the flyer plate-target interface velocity histories are measured with a laser displacement interferometry. The shock loading is slightly above the Hugoniot elastic limit to investigate incipient plasticity and its kinetics, and its effects on optical properties and deformation inhomogeneity. Fringe patterns demonstrate different features in modulation of fringe amplitude, including birefringence and complicated modulations. The birefringence is attributed to local lattice rotation accompanying incipient plasticity. Spatially resolved measurements show inhomogeneity in deformation, birefringence, and fringe pattern evolutions, most likely caused by the inhomogeneity associated with lattice rotation and dislocation slip. Transiently overdriven elastic states are observed, and the incubation time for incipient plasticity decreases inversely with increasing overdrive by the elastic shock.

Free energy change of a dislocation due to a Cottrell atmosphere

DOE PAGES

Sills, R. B.; Cai, W.

2018-03-07

The free energy reduction of a dislocation due to a Cottrell atmosphere of solutes is computed using a continuum model. In this work, we show that the free energy change is composed of near-core and far-field components. The far-field component can be computed analytically using the linearized theory of solid solutions. Near the core the linearized theory is inaccurate, and the near-core component must be computed numerically. The influence of interactions between solutes in neighbouring lattice sites is also examined using the continuum model. We show that this model is able to reproduce atomistic calculations of the nickel–hydrogen system, predictingmore » hydride formation on dislocations. The formation of these hydrides leads to dramatic reductions in the free energy. Lastly, the influence of the free energy change on a dislocation’s line tension is examined by computing the equilibrium shape of a dislocation shear loop and the activation stress for a Frank–Read source using discrete dislocation dynamics.« less

Free energy change of a dislocation due to a Cottrell atmosphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sills, R. B.; Cai, W.

The free energy reduction of a dislocation due to a Cottrell atmosphere of solutes is computed using a continuum model. In this work, we show that the free energy change is composed of near-core and far-field components. The far-field component can be computed analytically using the linearized theory of solid solutions. Near the core the linearized theory is inaccurate, and the near-core component must be computed numerically. The influence of interactions between solutes in neighbouring lattice sites is also examined using the continuum model. We show that this model is able to reproduce atomistic calculations of the nickel–hydrogen system, predictingmore » hydride formation on dislocations. The formation of these hydrides leads to dramatic reductions in the free energy. Lastly, the influence of the free energy change on a dislocation’s line tension is examined by computing the equilibrium shape of a dislocation shear loop and the activation stress for a Frank–Read source using discrete dislocation dynamics.« less

Glide dislocation nucleation from dislocation nodes at semi-coherent {111} Cu–Ni interfaces

DOE PAGES

Shao, Shuai; Wang, Jian; Beyerlein, Irene J.; ...

2015-07-23

Using atomistic simulations and dislocation theory on a model system of semi-coherent {1 1 1} interfaces, we show that misfit dislocation nodes adopt multiple atomic arrangements corresponding to the creation and redistribution of excess volume at the nodes. We identified four distinctive node structures: volume-smeared nodes with (i) spiral or (ii) straight dislocation patterns, and volume-condensed nodes with (iii) triangular or (iv) hexagonal dislocation patterns. Volume-smeared nodes contain interfacial dislocations lying in the Cu–Ni interface but volume-condensed nodes contain two sets of interfacial dislocations in the two adjacent interfaces and jogs across the atomic layer between the two adjacent interfaces.more » Finally, under biaxial tension/compression applied parallel to the interface, we show that the nucleation of lattice dislocations is preferred at the nodes and is correlated with the reduction of excess volume at the nodes.« less

Nanocrystalline copper films are never flat.

PubMed

Zhang, Xiaopu; Han, Jian; Plombon, John J; Sutton, Adrian P; Srolovitz, David J; Boland, John J

2017-07-28

We used scanning tunneling microscopy to study low-angle grain boundaries at the surface of nearly planar copper nanocrystalline (111) films. The presence of grain boundaries and their emergence at the film surface create valleys composed of dissociated edge dislocations and ridges where partial dislocations have recombined. Geometric analysis and simulations indicated that valleys and ridges were created by an out-of-plane grain rotation driven by reduction of grain boundary energy. These results suggest that in general, it is impossible to form flat two-dimensional nanocrystalline films of copper and other metals exhibiting small stacking fault energies and/or large elastic anisotropy, which induce a large anisotropy in the dislocation-line energy. Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

Dislocation gliding and cross-hatch morphology formation in AIII-BV epitaxial heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kovalskiy, V. A., E-mail: kovalva@iptm.ru; Vergeles, P. S.; Eremenko, V. G.

2014-12-08

An approach for understanding the origin of cross-hatch pattern (CHP) on the surface of lattice mismatched GaMnAs/InGaAs samples grown on GaAs (001) substrates is developed. It is argued that the motion of threading dislocations in the (111) slip planes during the relaxation of InGaAs buffer layer is more complicated process and its features are similar to the ones of dislocation half-loops gliding in plastically deformed crystals. The heterostructures were characterized by atomic force microscopy and electron beam induced current (EBIC). Detailed EBIC experiments revealed contrast features, which cannot be accounted for by the electrical activity of misfit dislocations at themore » buffer/substrate interface. We attribute these features to specific extended defects (EDs) generated by moving threading dislocations in the partially relaxed InGaAs layers. We believe that the core topology, surface reconstruction, and elastic strains from these EDs accommodated in slip planes play an important role in the CHP formation. The study of such electrically active EDs will allow further understanding of degradation and changes in characteristics of quantum devices based on strained heterostructures.« less

On low temperature glide of dissociated <1 1 0> dislocations in strontium titanate

NASA Astrophysics Data System (ADS)

Ritterbex, Sebastian; Hirel, Pierre; Carrez, Philippe

2018-05-01

An elastic interaction model is presented to quantify low temperature plasticity of SrTiO3 via glide of dissociated <1 1 0>{1 1 0} screw dislocations. Because <1 1 0> dislocations are dissociated, their glide, controlled by the kink-pair mechanism at T < 1050 K, involves the formation of kink-pairs on partial dislocations, either simultaneously or sequentially. Our model yields results in good quantitative agreement with the observed non-monotonic mechanical behaviour of SrTiO3. This agreement allows to explain the experimental results in terms of a (progressive) change in <1 1 0>{1 1 0} glide mechanism, from simultaneous nucleation of two kink-pairs along both partials at low stress, towards nucleation of single kink-pairs on individual partials if resolved shear stress exceeds a critical value of 95 MPa. High resolved shear stress allows thus for the activation of extra nucleation mechanisms on dissociated dislocations impossible to occur under the sole action of thermal activation. We suggest that stress condition in conjunction with core dissociation is key to the origin of non-monotonic plastic behaviour of SrTiO3 at low temperatures.

Elastic constants of hcp 4He: Path-integral Monte Carlo results versus experiment

NASA Astrophysics Data System (ADS)

Ardila, Luis Aldemar Peña; Vitiello, Silvio A.; de Koning, Maurice

2011-09-01

The elastic constants of hcp 4He are computed using the path-integral Monte Carlo (PIMC) method. The stiffness coefficients are obtained by imposing different distortions to a periodic cell containing 180 atoms, followed by measurement of the elements of the corresponding stress tensor. For this purpose an appropriate path-integral expression for the stress tensor observable is derived and implemented into the pimc++ package. In addition to allowing the determination of the elastic stiffness constants, this development also opens the way to an explicit atomistic determination of the Peierls stress for dislocation motion using the PIMC technique. A comparison of the results to available experimental data shows an overall good agreement of the density dependence of the elastic constants, with the single exception of C13. Additional calculations for the bcc phase, on the other hand, show good agreement for all elastic constants.

A discrete mechanics approach to dislocation dynamics in BCC crystals

NASA Astrophysics Data System (ADS)

Ramasubramaniam, A.; Ariza, M. P.; Ortiz, M.

2007-03-01

A discrete mechanics approach to modeling the dynamics of dislocations in BCC single crystals is presented. Ideas are borrowed from discrete differential calculus and algebraic topology and suitably adapted to crystal lattices. In particular, the extension of a crystal lattice to a CW complex allows for convenient manipulation of forms and fields defined over the crystal. Dislocations are treated within the theory as energy-minimizing structures that lead to locally lattice-invariant but globally incompatible eigendeformations. The discrete nature of the theory eliminates the need for regularization of the core singularity and inherently allows for dislocation reactions and complicated topological transitions. The quantization of slip to integer multiples of the Burgers' vector leads to a large integer optimization problem. A novel approach to solving this NP-hard problem based on considerations of metastability is proposed. A numerical example that applies the method to study the emanation of dislocation loops from a point source of dilatation in a large BCC crystal is presented. The structure and energetics of BCC screw dislocation cores, as obtained via the present formulation, are also considered and shown to be in good agreement with available atomistic studies. The method thus provides a realistic avenue for mesoscale simulations of dislocation based crystal plasticity with fully atomistic resolution.

Structure and energetics of extended defects in ice Ih

NASA Astrophysics Data System (ADS)

Silva Junior, Domingos L.; de Koning, Maurice

2012-01-01

We consider the molecular structure and energetics of extended defects in proton-disordered hexagonal ice Ih. Using plane-wave density functional theory (DFT) calculations, we compute the energetics of stacking faults and determine the structure of the 30∘ and 90∘ partial dislocations on the basal plane. Consistent with experimental data, the formation energies of all fully reconstructed stacking faults are found to be very low. This is consistent with the idea that basal-plane glide dislocations in ice Ih are dissociated into partial dislocations separated by an area of stacking fault. For both types of partial dislocation we find a strong tendency toward core reconstruction through pairwise hydrogen-bond reformation. In the case of the 30∘ dislocation, the pairwise hydrogen-bond formation leads to a period-doubling core structure equivalent to that seen in zinc-blende semiconductor crystals. For the 90∘ partial we consider two possible core reconstructions, one in which the periodicity of the structure along the core remains unaltered and another in which it is doubled. The latter is preferred, although the energy difference between both is rather small, so that a coexistence of both reconstructions appears plausible. Our results imply that a mobility theory for dislocations on the basal plane in ice Ih should be based on the idea of reconstructed partial dislocations.

Measurement of process-dependent material properties of pharmaceutical solids by nanoindentation.

PubMed

Liao, Xiangmin; Wiedmann, Timothy Scott

2005-01-01

The purpose of this work was to evaluate nanoindentation as a means to characterize the material properties of pharmaceutical solids. X-ray diffraction of potassium chloride and acetaminophen showed that samples prepared by cooling a melt to a crystalline sample as opposed to slow recrystallization had the same crystal structure. With analysis of the force-displacement curves, the KCl quenched samples had a hardness that was 10 times higher than the recrystallized KCl, while acetaminophen quenched samples were 25% harder than the recrystallized samples. The elastic moduli of the quenched samples were also much greater than that observed for the recrystallized samples. Although the elasticity was independent of load, the hardness increased with load for acetaminophen. With each sample, the flow at constant load increased with applied load. Etching patterns obtained by atomic force microscopy showed that the KCl quenched sample had a higher dislocation density than the recrystallized sample, although there was no evident difference in the acetaminophen samples. Overall, the differences in the observed sample properties may be related to the dislocation density. Thus, nanoindentation has been shown to be a sensitive method for determining a processed-induced change in the hardness, creep, and elasticity of KCl and acetaminophen. (c) 2004 Wiley-Liss, Inc.

Microstructural comparison of the kinematics of discrete and continuum dislocations models

NASA Astrophysics Data System (ADS)

Sandfeld, Stefan; Po, Giacomo

2015-12-01

The Continuum Dislocation Dynamics (CDD) theory and the Discrete Dislocation Dynamics (DDD) method are compared based on concise mathematical formulations of the coarse graining of discrete data. A numerical tool for converting from a discrete to a continuum representation of a given dislocation configuration is developed, which allows to directly compare both simulation approaches based on continuum quantities (e.g. scalar density, geometrically necessary densities, mean curvature). Investigating the evolution of selected dislocation configurations within analytically given velocity fields for both DDD and CDD reveals that CDD contains a surprising number of important microstructural details.

New theory for crack-tip twinning in fcc metals

NASA Astrophysics Data System (ADS)

Andric, Predrag; Curtin, W. A.

2018-04-01

Dislocation emission from a crack tip is a necessary mechanism for crack tip blunting and toughening. In fcc metals under Mode I loading, a first partial dislocation is emitted, followed either by a trailing partial dislocation ("ductile" behaviour) or a twinning partial dislocation ("quasi-brittle"). The twinning tendency is usually estimated using the Tadmor and Hai extension of the Rice theory. Extensive molecular statics simulations reveal that the predictions of the critical stress intensity factor for crack tip twinning are always systematically lower (20-35%) than observed. Analyses of the energy change during nucleation reveal that twin partial emission is not accompanied by creation of a surface step while emission of the trailing partial creates a step. The absence of the step during twinning motivates a modified model for twinning nucleation that accounts for the fact that nucleation does not occur directly at the crack tip. Predictions of the modified theory are in excellent agreement with all simulations that show twinning. Emission of the trailing partial dislocation, including the step creation, is predicted using a model recently introduced to accurately predict the first partial emission and shows why twinning is preferred. A second mode of twinning is found wherein the crack first advances by cleavage and then emits the twinning partial at the new crack tip; this mode dominates for emission beyond the first twinning partial. These new theories resolve all the discrepancies between the Tadmor twinning analysis and simulations, and have various implications for fracture behaviour and transitions.

Inelastic deformation and phenomenological modeling of aluminum including transient effect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cho, C.W.

A review was made of several phenomenological theories which have recently been proposed to describe the inelastic deformation of crystalline solids. Hart's deformation theory has many advantages, but there are disagreements with experimental deformation at stress levels below yield. A new inelastic deformation theory was proposed, introducing the concept of microplasticity. The new model consists of five deformation elements: a friction element representing a deformation element controlled by dislocation glide, a nonrecoverable plastic element representing the dislocation leakage rate over the strong dislocation barriers, a microplastic element representing the dislocation leakage rate over the weak barriers, a short range anelasticmore » spring element representing the recoverable anelastic strain stored by piled-up dislocations against the weak barriers, and a long range anelastic spring element representing the recoverable strain stored by piled-up dislocations against the strong barriers. Load relaxation and tensile testing in the plastic range were used to determine the material parameters for the plastic friction elements. The short range and long range anelastic moduli and the material parameters for the kinetics of microplasticity were determined by the measurement of anelastic loops and by performing load relaxation tests in the microplastic region. Experimental results were compared with a computer simulation of the transient deformation behavior of commercial purity aluminum. An attempt was made to correlate the material parameters and the microstructure from TEM. Stability of material parameters during inelastic deformation was discussed and effect of metallurgical variables was examined experimentally. 71 figures, 5 tables.« less

Microstructural investigation of plastically deformed Ti{sub 20}Zr{sub 20}Hf{sub 20}Nb{sub 20}Ta{sub 20} high entropy alloy by X-ray diffraction and transmission electron microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dirras, G., E-mail: dirras@univ-paris13.fr; Gubicza, J.; Heczel, A.

2015-10-15

The microstructure evolution in body-centered cubic (bcc) Ti{sub 20}Zr{sub 20}Hf{sub 20}Nb{sub 20}Ta{sub 20} high entropy alloy during quasi-static compression test was studied by X-ray line profile analysis (XLPA) and transmission electron microscopy (TEM). The average lattice constant and other important parameters of the microstructure such as the mean crystallite size, the dislocation density and the edge/screw character of dislocations were determined by XLPA. The elastic anisotropy factor required for XLPA procedure was determined by nanoindentation. XLPA shows that the crystallite size decreased while the dislocation density increased with strain during compression, and their values reached about 39 nm and 15more » × 10{sup 14} m{sup −2}, respectively, at a plastic strain of ~ 20%. It was revealed that with increasing strain the dislocation character became more screw. This can be explained by the reduced mobility of screw dislocations compared to edge dislocations in bcc structures. These observations are in line with TEM investigations. The development of dislocation density during compression was related to the yield strength evolution. - Highlights: • Ti{sub 20}Zr{sub 20}Hf{sub 20}Nb{sub 20}Ta{sub 20} high entropy alloy was processed by arc-melting. • The mechanical was evaluated by RT compression test. • The microstructure evolution was studied by XLPA and TEM. • With increasing strain the dislocation character became more screw. • The yield strength was related to the development of the dislocation density.« less

Dislocation mechanisms in stressed crystals with surface effects

NASA Astrophysics Data System (ADS)

Wu, Chi-Chin; Crone, Joshua; Munday, Lynn; Discrete Dislocation Dynamics Team

2014-03-01

Understanding dislocation properties in stressed crystals is the key for important processes in materials science, including the strengthening of metals and the stress relaxation during the growth of hetero-epitaxial structures. Despite existing experimental approaches and theories, many dislocation mechanisms with surface effects still remain elusive in experiments. Even though discrete dislocation dynamics (DDD) simulations are commonly employed to study dislocations, few demonstrate sufficient computational capabilities for massive dislocations with the combined effects of surfaces and stresses. Utilizing the Army's newly developed FED3 code, a DDD computation code coupled with finite elements, this work presents several dislocation mechanisms near different types of surfaces in finite domains. Our simulation models include dislocations in a bended metallic cantilever beam, near voids in stressed metals, as well as threading and misfit dislocations in as-grown semiconductor epitaxial layers and their quantitative inter-correlations to stress relaxation and surface instability. Our studies provide not only detailed physics of individual dislocation mechanisms, but also important collective dislocation properties such as dislocation densities and strain-stress profiles and their interactions with surfaces.

Experimental investigation of grain boundaries misorientations and nano twinning induced strengthening on addition of silicon carbide in pulse electrodeposited nickel tungsten composite coating

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rahman, O.S. Asiq; Wasekar, Nitin P.; Sundararajan, G.

Nanoindentation was performed on silicon carbide (SiC) reinforced pulse electrodeposited nickel-tungsten (Ni-W) composite coating. Addition of 5 vol.% of SiC in Ni-W coating increased the hardness from 10.31 ± 0.65 GPa to 14.32 ± 0.63 GPa and elastic modulus from 119.74 ± 3.15 GPa to 139.26 ± 2.09 GPa. Increased hardness and elastic modulus directly translates to the improved strengthening in the coating. An experimental investigation of strengthening mechanism was carried out in Ni-W-5 vol.% SiC alloy. Two simultaneous phenomena viz. grain refinement and increased internal strain was observed, which increased the dislocation density from 5.51 × 10{sup 18} m{supmore » −2} to 1.346 × 10{sup 19} m{sup −2} on reinforcement of 5 vol.% of SiC in Ni-W coating. Increased dislocation density promoted the formation of grain boundary misorientations and nano twinning. Low angle grain boundary, high angle grain boundary and nano twinning were identified using high resolution transmission electron microscope (HR-TEM) image and their role in strengthening mechanism was discussed in details. - Highlights: • SiC reinforced pulse electrodeposition Ni-W coating was deposited on steel. • Nanoindentation showed the increased mechanical properties on addition of SiC. • Grain refinement and increased internal strain was observed in Ni-W-SiC coating. • Dislocation density increased on reinforcement of SiC in Ni-W coating. • Increased dislocation density triggered grain boundary misorientation and twinning.« less

Latency-Information Theory: The Mathematical-Physical Theory of Communication-Observation

DTIC Science & Technology

2010-01-01

Werner Heisenberg of quantum mechanics; 3) the source-entropy and channel-capacity lossless performance bounds of Claude Shannon that guide...through noisy intel-space channels, and where the physical time-dislocations of intel-space exhibit a passing of time Heisenberg information...life-space sensor, and where the physical time- dislocations of life-space exhibit a passing of time Heisenberg information-uncertainty; and 4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Langer, J. S.

The thermodynamic theory of dislocation-enabled plasticity is based on two unconventional hypotheses. The first of these is that a system of dislocations, driven by external forces and irreversibly exchanging heat with its environment, must be characterized by a thermodynamically defined effective temperature that is not the same as the ordinary temperature. The second hypothesis is that the overwhelmingly dominant mechanism controlling plastic deformation is thermally activated depinning of entangled pairs of dislocations. This paper consists of a systematic reformulation of this theory followed by examples of its use in analyses of experimentally observed phenomena including strain hardening, grain-size (Hall-Petch) effects,more » yielding transitions, and adiabatic shear banding.« less

Prediction of dislocation generation during Bridgman growth of GaAs crystals

NASA Technical Reports Server (NTRS)

Tsai, C. T.; Yao, M. W.; Chait, Arnon

1992-01-01

Dislocation densities are generated in GaAs single crystals due to the excessive thermal stresses induced by temperature variations during growth. A viscoplastic material model for GaAs, which takes into account the movement and multiplication of dislocations in the plastic deformation, is developed according to Haasen's theory. The dislocation density is expressed as an internal state variable in this dynamic viscoplastic model. The deformation process is a nonlinear function of stress, strain rate, dislocation density and temperature. The dislocation density in the GaAs crystal during vertical Bridgman growth is calculated using a nonlinear finite element model. The dislocation multiplication in GaAs crystals for several temperature fields obtained from thermal modeling of both the GTE GaAs experimental data and artificially designed data are investigated.

Prediction of dislocation generation during Bridgman growth of GaAs crystals

NASA Astrophysics Data System (ADS)

Tsai, C. T.; Yao, M. W.; Chait, Arnon

1992-11-01

Dislocation densities are generated in GaAs single crystals due to the excessive thermal stresses induced by temperature variations during growth. A viscoplastic material model for GaAs, which takes into account the movement and multiplication of dislocations in the plastic deformation, is developed according to Haasen's theory. The dislocation density is expressed as an internal state variable in this dynamic viscoplastic model. The deformation process is a nonlinear function of stress, strain rate, dislocation density and temperature. The dislocation density in the GaAs crystal during vertical Bridgman growth is calculated using a nonlinear finite element model. The dislocation multiplication in GaAs crystals for several temperature fields obtained from thermal modeling of both the GTE GaAs experimental data and artificially designed data are investigated.

Strain-Engineered Nanomembrane Substrates for Si/SiGe Heterostructures

NASA Astrophysics Data System (ADS)

Sookchoo, Pornsatit

For Group IV materials, including silicon, germanium, and their alloys, although they are most widely used in the electronics industry, the development of photonic devices is hindered by indirect band gaps and large lattice mismatches. Thus, any heterostructures involving Si and Ge (4.17% lattice mismatch) are subject to plastic relaxation by dislocation formation in the heterolayers. These defects make many devices impossible and at minimum degrade the performance of those that are possible. Fabrication using elastic strain engineering in Si/SiGe nanomembranes (NMs) is an approach that is showing promise to overcome this limitation. A key advantage of such NM substrates over conventional bulk substrates is that they are relaxed elastically and therefore free of dislocations that occur in the conventional fabrication of SiGe substrates, which are transferred to the epilayers and roughen film interfaces. In this thesis, I use the strain engineering of NMs or NM stacks to fabricate substrates for the epitaxial growth of many repeating units of Si/SiGe heterostructure, known as a 'superlattice', by the elastic strain sharing of a few periods of the repeating unit of Si/SiGe heterolayers or a Si/SiGe/Si tri-layer structure. In both cases, the process begins with the epitaxial growth of Si/SiGe heterolayers on silicon-on-insulator (SOI), where each layer thickness is designed to stay below its kinetic critical thickness for the formation of dislocations. The heterostructure NMs are then released by etching of the SiO2 sacrificial layer in hydrofluoric acid. The resulting freestanding NMs are elastically relaxed by the sharing of strain between the heterolayers. The NMs can be bonded in-place to their host substrate or transferred to another host substrate for the subsequent growth of many periods of superlattice film. The magnitude of strain sharing in these freestanding NMs is influenced by their layer thicknesses and layer compositions. As illustrated in this dissertation, strain-engineering of such NMs can provide the enabling basis for improved Group IV optoelectronic devices.

Coupled DDD-FEM modeling on the mechanical behavior of microlayered metallic multilayer film at elevated temperature

NASA Astrophysics Data System (ADS)

Huang, Minsheng; Li, Zhenhuan

2015-12-01

To investigate the mechanical behavior of the microlayered metallic thin films (MMMFs) at elevated temperature, an enhanced discrete-continuous model (DCM), which couples rather than superposes the two-dimensional climb/glide-enabled discrete dislocation dynamics (2D-DDD) with the linearly elastic finite element method (FEM), is developed in this study. In the present coupling scheme, two especial treatments are made. One is to solve how the plastic strain captured by the DDD module is transferred properly to the FEM module as an eigen-strain; the other is to answer how the stress field computationally obtained by the FEM module is transferred accurately to the DDD module to drive those discrete dislocations moving correctly. With these two especial treatments, the interactions between adjacent dislocations and between dislocation pile-ups and inter-phase boundaries (IBs), which are crucial to the strengthening effect in MMMFs, are carefully taken into account. After verified by comparing the computationally predicted results with the theoretical solutions for a dislocation residing in a homogeneous material and nearby a bi-material interface, this 2D-DDD/FEM coupling scheme is used to model the tensile mechanical behaviors of MMMFs at elevated temperature. The strengthening mechanism of MMMFs and the layer thickness effect are studied in detail, with special attentions to the influence of dislocation climb on them.

Misfit dislocation patterns of Mg-Nb interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Youxing; Shao, Shuai; Liu, Xiang-Yang

The role of heterogeneous interfaces in improving mechanical properties of polycrystalline aggregates and laminated composites has been well recognized with interface structure being of fundamental importance in designing composites containing multiple interfaces. In this paper, taking the Mg (hexagonal close-packed (hcp))/Nb (body-centered cubic (bcc)) interface as an example, we develop Mg-Nb interatomic potentials for predicting atomic configurations of Mg/Nb interfaces. We systematically characterize interface dislocations of Mg/Nb interfaces with Nishiyama-Wassermann (NW) and Kurdjumov-Sachs (KS) orientation relationships and propose a generalized procedure of characterizing interface structure by combining atomistic simulation and interface dislocation theory, which is applicable for not only hcp/bccmore » interfaces, but also other systems with complicated interface dislocation configurations.Here, in Mg/Nb, interface dislocation networks of two types of interfaces are significantly different although they originate from partial dislocations of similar character: the NW interface is composed of three sets of partial dislocations, while the KS interface is composed of four sets of interface dislocations - three sets of partial dislocations and one set of full dislocations that forms from the reaction of two close partial dislocations.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zimmerman, Jonathan A.; Jones, Reese E.; Templeton, Jeremy Alan

Materials with characteristic structures at nanoscale sizes exhibit significantly different mechani-cal responses from those predicted by conventional, macroscopic continuum theory. For example,nanocrystalline metals display an inverse Hall-Petch effect whereby the strength of the materialdecreases with decreasing grain size. The origin of this effect is believed to be a change in defor-mation mechanisms from dislocation motion across grains and pileup at grain boundaries at mi-croscopic grain sizes to rotation of grains and deformation within grain boundary interface regionsfor nanostructured materials. These rotational defects are represented by the mathematical conceptof disclinations. The ability to capture these effects within continuum theory, thereby connectingnanoscalemore » materials phenomena and macroscale behavior, has eluded the research community.The goal of our project was to develop a consistent theory to model both the evolution ofdisclinations and their kinetics. Additionally, we sought to develop approaches to extract contin-uum mechanical information from nanoscale structure to verify any developed continuum theorythat includes dislocation and disclination behavior. These approaches yield engineering-scale ex-pressions to quantify elastic and inelastic deformation in all varieties of materials, even those thatpossess highly directional bonding within their molecular structures such as liquid crystals, cova-lent ceramics, polymers and biological materials. This level of accuracy is critical for engineeringdesign and thermo-mechanical analysis is performed in micro- and nanosystems. The researchproposed here innovates on how these nanoscale deformation mechanisms should be incorporatedinto a continuum mechanical formulation, and provides the foundation upon which to develop ameans for predicting the performance of advanced engineering materials.4 AcknowledgmentThe authors acknowledge helpful discussions with Farid F. Abraham, Youping Chen, Terry J.Delph, Remi Dingreville, James W. Foulk III, Robert J. Hardy, Richard Lehoucq, Alejandro Mota,Gregory J. Wagner, Edmund B. Webb III and Xiaowang Zhou. Support for this project was pro-vided by the Enabling Predictive Simulation Investment Area of Sandia's Laboratory DirectedResearch and Development (LDRD) program.5« less

Impact of Various Charge States of Hydrogen on Passivation of Dislocation in Silicon

NASA Astrophysics Data System (ADS)

Song, Lihui; Lou, Jingjing; Fu, Jiayi; Ji, Zhenguo

2018-03-01

Dislocation, one of typical crystallographic defects in silicon, is detrimental to the minority carrier lifetime of silicon wafer. Hydrogen passivation is able to reduce the recombination activity of dislocation, however, the passivation efficacy is strongly dependent on the experimental conditions. In this paper, a model based on the theory of hydrogen charge state control is proposed to explain the passivation efficacy of dislocation correlated to the peak temperature of thermal annealing and illumination intensity. Experimental results support the prediction of the model that a mix of positively charged hydrogen and negatively charged hydrogen at certain ratio can maximise the passivation efficacy of dislocation, leading to a better power conversion efficiency of silicon solar cell with dislocation in it.

From Atomistic Model to the Peierls-Nabarro Model with {γ} -surface for Dislocations

NASA Astrophysics Data System (ADS)

Luo, Tao; Ming, Pingbing; Xiang, Yang

2018-05-01

The Peierls-Nabarro (PN) model for dislocations is a hybrid model that incorporates the atomistic information of the dislocation core structure into the continuum theory. In this paper, we study the convergence from a full atomistic model to the PN model with {γ} -surface for the dislocation in a bilayer system. We prove that the displacement field and the total energy of the dislocation solution of the PN model are asymptotically close to those of the full atomistic model. Our work can be considered as a generalization of the analysis of the convergence from atomistic model to Cauchy-Born rule for crystals without defects.

Peierls potential of screw dislocations in bcc transition metals: Predictions from density functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weinberger, Christopher R.; Tucker, Garritt J.; Foiles, Stephen M.

2013-02-01

It is well known that screw dislocation motion dominates the plastic deformation in body-centered-cubic metals at low temperatures. The nature of the nonplanar structure of screw dislocations gives rise to high lattice friction, which results in strong temperature and strain rate dependence of plastic flow. Thus the nature of the Peierls potential, which is responsible for the high lattice resistance, is an important physical property of the material. However, current empirical potentials give a complicated picture of the Peierls potential. Here, we investigate the nature of the Peierls potential using density functional theory in the bcc transition metals. The resultsmore » show that the shape of the Peierls potential is sinusoidal for every material investigated. Furthermore, we show that the magnitude of the potential scales strongly with the energy per unit length of the screw dislocation in the material.« less

Dislocation-mediated growth of bacterial cell walls

PubMed Central

Amir, Ariel; Nelson, David R.

2012-01-01

Recent experiments have illuminated a remarkable growth mechanism of rod-shaped bacteria: proteins associated with cell wall extension move at constant velocity in circles oriented approximately along the cell circumference [Garner EC, et al., (2011) Science 333:222–225], [Domínguez-Escobar J, et al. (2011) Science 333:225–228], [van Teeffelen S, et al. (2011) PNAS 108:15822–15827]. We view these as dislocations in the partially ordered peptidoglycan structure, activated by glycan strand extension machinery, and study theoretically the dynamics of these interacting defects on the surface of a cylinder. Generation and motion of these interacting defects lead to surprising effects arising from the cylindrical geometry, with important implications for growth. We also discuss how long range elastic interactions and turgor pressure affect the dynamics of the fraction of actively moving dislocations in the bacterial cell wall. PMID:22660931

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Tianyi; Tan, Lizhen; Lu, Zizhe

Instrumented nanoindentation was used in this paper to investigate the hardness, elastic modulus, and creep behavior of an austenitic Fe-20Cr-25Ni model alloy at room temperature, with the indented grain orientation being the variant. The samples indented close to the {111} surfaces exhibited the highest hardness and modulus. However, nanoindentation creep tests showed the greatest tendency for creep in the {111} indented samples, compared with the samples indented close to the {001} and {101} surfaces. Scanning electron microscopy and cross-sectional transmission electron microscopy revealed slip bands and dislocations in all samples. The slip band patterns on the indented surfaces were influencedmore » by the grain orientations. Deformation twinning was observed only under the {001} indented surfaces. Finally, microstructural analysis and molecular dynamics modeling correlated the anisotropic nanoindentation-creep behavior with the different dislocation substructures formed during indentation, which resulted from the dislocation reactions of certain active slip systems that are determined by the indented grain orientations.« less

A micro S-shaped optical fiber temperature sensor based on dislocation fiber splice

NASA Astrophysics Data System (ADS)

Yan, Haitao; Li, Pengfei; Zhang, Haojie; Shen, Xiaoyue; Wang, Yongzhen

2017-12-01

We fabricated a simple, compact, and stable temperature sensor based on an S-shaped dislocated optical fiber. The dislocation optical fiber has two splice points, and we obtained the optimal parameters based on the theory and our experiment, such as the dislocation amount and length of the dislocation optical fiber. According to the relationship between the temperature and the peak wavelength shift, the temperature of the environment can be obtained. Then, we made this fiber a micro bending as S-shape between the two dislocation points, and the S-shaped micro bending part could release stress with the change in temperature and reduce the effect of stress on the temperature measurement. This structure could solve the problem of sensor distortion caused by the cross response of temperature and stress. We measured the S-shaped dislocation fiber sensor and the dislocation fiber without S-shape under the same environment and conditions, and the S-shaped dislocation fiber had the advantages of the stable reliability and good linearity.

Modeling plastic deformation of post-irradiated copper micro-pillars

NASA Astrophysics Data System (ADS)

Crosby, Tamer; Po, Giacomo; Ghoniem, Nasr M.

2014-12-01

We present here an application of a fundamentally new theoretical framework for description of the simultaneous evolution of radiation damage and plasticity that can describe both in situ and ex situ deformation of structural materials [1]. The theory is based on the variational principle of maximum entropy production rate; with constraints on dislocation climb motion that are imposed by point defect fluxes as a result of irradiation. The developed theory is implemented in a new computational code that facilitates the simulation of irradiated and unirradiated materials alike in a consistent fashion [2]. Discrete Dislocation Dynamics (DDD) computer simulations are presented here for irradiated fcc metals that address the phenomenon of dislocation channel formation in post-irradiated copper. The focus of the simulations is on the role of micro-pillar boundaries and the statistics of dislocation pinning by stacking-fault tetrahedra (SFTs) on the onset of dislocation channel and incipient surface crack formation. The simulations show that the spatial heterogeneity in the distribution of SFTs naturally leads to localized plastic deformation and incipient surface fracture of micro-pillars.

Mechanisms of high-temperature, solid-state flow in minerals and ceramics and their bearing on the creep behavior of the mantle

USGS Publications Warehouse

Kirby, S.H.; Raleigh, C.B.

1973-01-01

The problem of applying laboratory silicate-flow data to the mantle, where conditions can be vastly different, is approached through a critical review of high-temperature flow mechanisms in ceramics and their relation to empirical flow laws. The intimate association of solid-state diffusion and high-temperature creep in pure metals is found to apply to ceramics as well. It is shown that in ceramics of moderate grain size, compared on the basis of self-diffusivity and elastic modulus, normalized creep rates compare remarkably well. This comparison is paralleled by the near universal occurrence of similar creep-induced structures, and it is thought that the derived empirical flow laws can be associated with dislocation creep. Creep data in fine-grained ceramics, on the other hand, are found to compare poorly with theories involving the stress-directed diffusion of point defects and have not been successfully correlated by self-diffusion rates. We conclude that these fine-grained materials creep primarily by a quasi-viscous grain-boundary sliding mechanism which is unlikely to predominate in the earth's deep interior. Creep predictions for the mantle reveal that under most conditions the empirical dislocation creep behavior predominates over the mechanisms involving the stress-directed diffusion of point defects. The probable role of polymorphic transformations in the transition zone is also discussed. ?? 1973.

Deformation bands, the LEDS theory, and their importance in texture development: Part II. Theoretical conclusions

NASA Astrophysics Data System (ADS)

Kuhlmann-Wilsdorf, D.

1999-09-01

The facts regarding “regular” deformation bands (DBs) outlined in Part I of this series of articles are related to the low-energy dislocation structure (LEDS) theory of dislocation-based plasticity. They prompt an expansion of the theory by including the stresses due to strain gradients on account of changing selections of slip systems to the previously known dislocation driving forces. This last and until now neglected driving force is much smaller than the components considered hitherto, principally due to the applied stress and to mutual stress-screening among neighbor dislocations. As a result, it permits a near-proof of the LEDS hypothesis, to wit that among all structures which, in principle, are accessible to the dislocations, that one is realized which has the lowest free energy. Specifically, the temperature rises that would result from annihilating the largest DBs amount to only several millidegrees Centigrade, meaning that they, and by implication the entire dislocation structures, are close to thermodynamical equilibrium. This is in stark contrast to the assumption of the presently widespread self-organizing dislocation structures (SODS) modeling that plastic deformation occurs far from equilibrium and is subject to Prigogine’s thermodynamics of energy-flow-through systems. It also holds out promise for future rapid advances in the construction of constitutive equations, since the LEDS hypothesis is the principal basis of the LEDS theory of plastic deformation and follows directly from the second law of thermodynamics in conjunction with Newton’s third law. By contrast, all other known models of metal plasticity are in conflict with the LEDS hypothesis. In regard to texture modeling, the present analysis shows that Taylor’s criterion of minimum plastic work is incorrect and should be replaced by the criterion of minimum free energy in the stressed state. Last, the LEDS hypothesis is but a special case of the more general low-energy structure (LES) hypothesis, applying to plastic deformation independent of the deformation mechanism. It is thus seen that plastic deformation is one of nature’s means to generate order, as a byproduct of the entropy generation when mechanical work is largely converted into heat.

Distributional and regularized radiation fields of non-uniformly moving straight dislocations, and elastodynamic Tamm problem

NASA Astrophysics Data System (ADS)

Lazar, Markus; Pellegrini, Yves-Patrick

2016-11-01

This work introduces original explicit solutions for the elastic fields radiated by non-uniformly moving, straight, screw or edge dislocations in an isotropic medium, in the form of time-integral representations in which acceleration-dependent contributions are explicitly separated out. These solutions are obtained by applying an isotropic regularization procedure to distributional expressions of the elastodynamic fields built on the Green tensor of the Navier equation. The obtained regularized field expressions are singularity-free, and depend on the dislocation density rather than on the plastic eigenstrain. They cover non-uniform motion at arbitrary speeds, including faster-than-wave ones. A numerical method of computation is discussed, that rests on discretizing motion along an arbitrary path in the plane transverse to the dislocation, into a succession of time intervals of constant velocity vector over which time-integrated contributions can be obtained in closed form. As a simple illustration, it is applied to the elastodynamic equivalent of the Tamm problem, where fields induced by a dislocation accelerated from rest beyond the longitudinal wave speed, and thereafter put to rest again, are computed. As expected, the proposed expressions produce Mach cones, the dynamic build-up and decay of which is illustrated by means of full-field calculations.

Illusory spirals and loops in crystal growth

PubMed Central

Shtukenberg, Alexander G.; Zhu, Zina; Bhandari, Misha; Song, Pengcheng; Kahr, Bart; Ward, Michael D.

2013-01-01

The theory of dislocation-controlled crystal growth identifies a continuous spiral step with an emergent lattice displacement on a crystal surface; a mechanistic corollary is that closely spaced, oppositely winding spirals merge to form concentric loops. In situ atomic force microscopy of step propagation on pathological l-cystine crystals did indeed show spirals and islands with step heights of one lattice displacement. We show by analysis of the rates of growth of smaller steps only one molecule high that the major morphological spirals and loops are actually consequences of the bunching of the smaller steps. The morphology of the bunched steps actually inverts the predictions of the theory: Spirals arise from pairs of dislocations, loops from single dislocations. Only through numerical simulation of the growth is it revealed how normal growth of anisotropic layers of molecules within the highly symmetrical crystals can conspire to create features in apparent violation of the classic theory. PMID:24101507

Indentation Schmid factor and orientation dependence of nanoindentation pop-in behavior of NiAl single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Tianlei; Gao, Yanfei; Bei, Hongbin

2011-01-01

Instrumented nanoindentation techniques have been widely used to characterize the small-scale mechanical behavior of materials. The elastic-plastic transition during nanoindentation is often indicated by a sudden displacement burst (pop-in) in the measured load-displacement curve. In defect-free single crystals, the pop-in is believed to be the result of homogeneous dislocation nucleation because the maximum shear stress corresponding to the pop-in load approaches the theoretical strength of the materials and because the statistical distribution of pop-in stresses is consistent with what is expected for a thermally activated process of homogeneous dislocation nucleation. This paper investigates whether this process is affected by crystallographymore » and stress components other than the resolved shear stress. A Stroh formalism coupled with the two-dimensional Fourier transformation is used to derive the analytical stress fields in elastically anisotropic solids under Hertzian contact, which allows the determination of an indentation Schmid factor, namely, the ratio of maximum resolved shear stress to the maximum contact pressure. Nanoindentation tests were conducted on B2-structured NiAl single crystals with different surface normal directions. This material was chosen because it deforms at room temperature by {110}<001> slip and thus avoids the complexity of partial dislocation nucleation. Good agreement is obtained between the experimental data and the theoretically predicted orientation dependence of pop-in loads based on the indentation Schmid factor. Pop-in load is lowest for indentation directions close to <111> and highest for those close to <001>. In nanoindentation, since the stress component normal to the slip plane is typically comparable in magnitude to the resolved shear stress, we find that the pressure sensitivity of homogeneous dislocation nucleation cannot be determined from pop-in tests. Our statistical measurements generally confirm the thermal activation model of homogeneous dislocation nucleation. That is, the extracted dependence of activation energy on resolved shear stress is almost the same for all the indentation directions considered in this study, except for those close to <001>. Because very high pop-in loads are measured for orientations close to <001>, which implies a large contact area at pop-in, there is a higher probability of activating pre-existing dislocations in these orientations, which may explain the discrepancy near <001>.« less

Deformation-mechanism map for nanocrystalline metals by molecular-dynamics simulation.

PubMed

Yamakov, V; Wolf, D; Phillpot, S R; Mukherjee, A K; Gleiter, H

2004-01-01

Molecular-dynamics simulations have recently been used to elucidate the transition with decreasing grain size from a dislocation-based to a grain-boundary-based deformation mechanism in nanocrystalline f.c.c. metals. This transition in the deformation mechanism results in a maximum yield strength at a grain size (the 'strongest size') that depends strongly on the stacking-fault energy, the elastic properties of the metal, and the magnitude of the applied stress. Here, by exploring the role of the stacking-fault energy in this crossover, we elucidate how the size of the extended dislocations nucleated from the grain boundaries affects the mechanical behaviour. Building on the fundamental physics of deformation as exposed by these simulations, we propose a two-dimensional stress-grain size deformation-mechanism map for the mechanical behaviour of nanocrystalline f.c.c. metals at low temperature. The map captures this transition in both the deformation mechanism and the related mechanical behaviour with decreasing grain size, as well as its dependence on the stacking-fault energy, the elastic properties of the material, and the applied stress level.

Postseismic viscoelastic surface deformation and stress. Part 1: Theoretical considerations, displacement and strain calculations

NASA Technical Reports Server (NTRS)

Cohen, S. C.

1979-01-01

A model of viscoelastic deformations associated with earthquakes is presented. A strike-slip fault is represented by a rectangular dislocation in a viscoelastic layer (lithosphere) lying over a viscoelastic half-space (asthenosphere). Deformations occur on three time scales. The initial response is governed by the instantaneous elastic properties of the earth. A slower response is associated with viscoelastic relaxation of the lithosphere and a yet slower response is due to viscoelastic relaxation of the asthenosphere. The major conceptual contribution is the inclusion of lithospheric viscoelastic properties into a dislocation model of earthquake related deformations and stresses. Numerical calculations using typical fault parameters reveal that the postseismic displacements and strains are small compared to the coseismic ones near the fault, but become significant further away. Moreover, the directional sense of the deformations attributable to the elastic response, the lithospheric viscoelastic softening, and the asthenospheric viscoelastic flow may differ and depend on location and model details. The results and theoretical arguments suggest that the stress changes accompanying lithospheric relaxation may also be in a different sense than and be larger than the strain changes.

Modeling collective behavior of dislocations in crystalline materials

NASA Astrophysics Data System (ADS)

Varadhan, Satya N.

Elastic interaction of dislocations leads to collective behavior and determines plastic response at the mesoscale. Notable characteristics of mesoscale plasticity include the formation of dislocation patterns, propagative instability phenomena due to strain aging such as the Luders and Portevin-Le Chatelier effects, and size-dependence of low stress. This work presents a unified approach to modeling collective behavior based on mesoscale field dislocation mechanics and crystal plasticity, using constitutive models with physical basis. Successful application is made to: compression of a bicrystal, where "smaller is stronger"---the flow stress increases as the specimen size is reduced; torsional creep of ice single crystals, where the plastic strain rate increases with time under constant applied torque; strain aging in a single crystal alloy, where the transition from homogeneous deformation to intermittent bands to continuous band is captured as the applied deformation rate is increased. A part of this work deals with the kinematics of dislocation density evolution. An explicit Galerkin/least-squares formulation is introduced for the quasilinear evolution equation, which leads to a symmetric and well-conditioned system of equations with constant coefficients, making it attractive for large-scale problems. It is shown that the evolution equation simplifies to the Hamilton-Jacobi equations governing geometric optics and level set methods in the following physical contexts: annihilation of dislocations, expansion of a polygonal dislocation loop and operation of a Frank-Read source. The weak solutions to these equations are not unique, and the numerical method is able to capture solutions corresponding to shock as well as expansion fans.

Modelling crystal plasticity by 3D dislocation dynamics and the finite element method: The Discrete-Continuous Model revisited

NASA Astrophysics Data System (ADS)

Vattré, A.; Devincre, B.; Feyel, F.; Gatti, R.; Groh, S.; Jamond, O.; Roos, A.

2014-02-01

A unified model coupling 3D dislocation dynamics (DD) simulations with the finite element (FE) method is revisited. The so-called Discrete-Continuous Model (DCM) aims to predict plastic flow at the (sub-)micron length scale of materials with complex boundary conditions. The evolution of the dislocation microstructure and the short-range dislocation-dislocation interactions are calculated with a DD code. The long-range mechanical fields due to the dislocations are calculated by a FE code, taking into account the boundary conditions. The coupling procedure is based on eigenstrain theory, and the precise manner in which the plastic slip, i.e. the dislocation glide as calculated by the DD code, is transferred to the integration points of the FE mesh is described in full detail. Several test cases are presented, and the DCM is applied to plastic flow in a single-crystal Nickel-based superalloy.

Probing the Effect of Hydrogen on Elastic Properties and Plastic Deformation in Nickel Using Nanoindentation and Ultrasonic Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lawrence, Samantha K.; Somerday, Brian P.; Ingraham, Mathew Duffy

Hydrogen effects on small-volume plasticity and elastic stiffness constants are investigated with nanoindentation of Ni-201 and sonic velocity measurements of bulk Ni single crystals. Elastic modulus of Ni-201, calculated from indentation data, decreases ~22% after hydrogen charging. This substantial decrease is independently confirmed by sonic velocity measurements of Ni single crystals; c 44 decreases ~20% after hydrogen exposure. Furthermore, clear hydrogen-deformation interactions are observed. The maximum shear stress required to nucleate dislocations in hydrogen-charged Ni-201 is markedly lower than in as-annealed material, driven by hydrogen-reduced shear modulus. Additionally, a larger number of depth excursions are detected prior to general yieldingmore » in hydrogen-charged material, suggesting cross-slip restriction. Together, these data reveal direct correlation between hydrogen-affected elastic properties and plastic deformation in Ni alloys.« less

Probing the Effect of Hydrogen on Elastic Properties and Plastic Deformation in Nickel Using Nanoindentation and Ultrasonic Methods

DOE PAGES

Lawrence, Samantha K.; Somerday, Brian P.; Ingraham, Mathew Duffy; ...

2018-04-11

Hydrogen effects on small-volume plasticity and elastic stiffness constants are investigated with nanoindentation of Ni-201 and sonic velocity measurements of bulk Ni single crystals. Elastic modulus of Ni-201, calculated from indentation data, decreases ~22% after hydrogen charging. This substantial decrease is independently confirmed by sonic velocity measurements of Ni single crystals; c 44 decreases ~20% after hydrogen exposure. Furthermore, clear hydrogen-deformation interactions are observed. The maximum shear stress required to nucleate dislocations in hydrogen-charged Ni-201 is markedly lower than in as-annealed material, driven by hydrogen-reduced shear modulus. Additionally, a larger number of depth excursions are detected prior to general yieldingmore » in hydrogen-charged material, suggesting cross-slip restriction. Together, these data reveal direct correlation between hydrogen-affected elastic properties and plastic deformation in Ni alloys.« less

Probing the Effect of Hydrogen on Elastic Properties and Plastic Deformation in Nickel Using Nanoindentation and Ultrasonic Methods

NASA Astrophysics Data System (ADS)

Lawrence, S. K.; Somerday, B. P.; Ingraham, M. D.; Bahr, D. F.

2018-04-01

Hydrogen effects on small-volume plasticity and elastic stiffness constants are investigated with nanoindentation of Ni-201 and sonic velocity measurements of bulk Ni single crystals. Elastic modulus of Ni-201, calculated from indentation data, decreases 22% after hydrogen charging. This substantial decrease is independently confirmed by sonic velocity measurements of Ni single crystals; c 44 decreases 20% after hydrogen exposure. Furthermore, clear hydrogen-deformation interactions are observed. The maximum shear stress required to nucleate dislocations in hydrogen-charged Ni-201 is markedly lower than in as-annealed material, driven by hydrogen-reduced shear modulus. Additionally, a larger number of depth excursions are detected prior to general yielding in hydrogen-charged material, suggesting cross-slip restriction. Together, these data reveal a direct correlation between hydrogen-affected elastic properties and plastic deformation in Ni alloys.

Nematic elastomers: from a microscopic model to macroscopic elasticity theory.

PubMed

Xing, Xiangjun; Pfahl, Stephan; Mukhopadhyay, Swagatam; Goldbart, Paul M; Zippelius, Annette

2008-05-01

A Landau theory is constructed for the gelation transition in cross-linked polymer systems possessing spontaneous nematic ordering, based on symmetry principles and the concept of an order parameter for the amorphous solid state. This theory is substantiated with help of a simple microscopic model of cross-linked dimers. Minimization of the Landau free energy in the presence of nematic order yields the neoclassical theory of the elasticity of nematic elastomers and, in the isotropic limit, the classical theory of isotropic elasticity. These phenomenological theories of elasticity are thereby derived from a microscopic model, and it is furthermore demonstrated that they are universal mean-field descriptions of the elasticity for all chemical gels and vulcanized media.

Dislocation dynamics simulations of plasticity at small scales

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Caizhi

2010-01-01

As metallic structures and devices are being created on a dimension comparable to the length scales of the underlying dislocation microstructures, the mechanical properties of them change drastically. Since such small structures are increasingly common in modern technologies, there is an emergent need to understand the critical roles of elasticity, plasticity, and fracture in small structures. Dislocation dynamics (DD) simulations, in which the dislocations are the simulated entities, offer a way to extend length scales beyond those of atomistic simulations and the results from DD simulations can be directly compared with the micromechanical tests. The primary objective of this researchmore » is to use 3-D DD simulations to study the plastic deformation of nano- and micro-scale materials and understand the correlation between dislocation motion, interactions and the mechanical response. Specifically, to identify what critical events (i.e., dislocation multiplication, cross-slip, storage, nucleation, junction and dipole formation, pinning etc.) determine the deformation response and how these change from bulk behavior as the system decreases in size and correlate and improve our current knowledge of bulk plasticity with the knowledge gained from the direct observations of small-scale plasticity. Our simulation results on single crystal micropillars and polycrystalline thin films can march the experiment results well and capture the essential features in small-scale plasticity. Furthermore, several simple and accurate models have been developed following our simulation results and can reasonably predict the plastic behavior of small scale materials.« less

FIBER AND INTEGRATED OPTICS. OTHER TOPICS IN QUANTUM ELECTRONICS: Laser generation of dislocations and mechanism of anisotropic melting of semiconductor surfaces

NASA Astrophysics Data System (ADS)

Volodin, B. L.; Emel'yanov, Vladimir I.

1990-05-01

An analysis is made of a vacancy-deformation mechanism of generation of dislocations by laser radiation involving condensation of laser-induced vacancies when the vacancy concentration exceeds a certain critical value. The theory can be used to estimate the radius of the resultant dislocation loops and their density. It is used to interpret anisotropic laser melting of semiconductor surfaces.

Atomistically determined phase-field modeling of dislocation dissociation, stacking fault formation, dislocation slip, and reactions in fcc systems

NASA Astrophysics Data System (ADS)

Rezaei Mianroodi, Jaber; Svendsen, Bob

2015-04-01

The purpose of the current work is the development of a phase field model for dislocation dissociation, slip and stacking fault formation in single crystals amenable to determination via atomistic or ab initio methods in the spirit of computational material design. The current approach is based in particular on periodic microelasticity (Wang and Jin, 2001; Bulatov and Cai, 2006; Wang and Li, 2010) to model the strongly non-local elastic interaction of dislocation lines via their (residual) strain fields. These strain fields depend in turn on phase fields which are used to parameterize the energy stored in dislocation lines and stacking faults. This energy storage is modeled here with the help of the "interface" energy concept and model of Cahn and Hilliard (1958) (see also Allen and Cahn, 1979; Wang and Li, 2010). In particular, the "homogeneous" part of this energy is related to the "rigid" (i.e., purely translational) part of the displacement of atoms across the slip plane, while the "gradient" part accounts for energy storage in those regions near the slip plane where atomic displacements deviate from being rigid, e.g., in the dislocation core. Via the attendant global energy scaling, the interface energy model facilitates an atomistic determination of the entire phase field energy as an optimal approximation of the (exact) atomistic energy; no adjustable parameters remain. For simplicity, an interatomic potential and molecular statics are employed for this purpose here; alternatively, ab initio (i.e., DFT-based) methods can be used. To illustrate the current approach, it is applied to determine the phase field free energy for fcc aluminum and copper. The identified models are then applied to modeling of dislocation dissociation, stacking fault formation, glide and dislocation reactions in these materials. As well, the tensile loading of a dislocation loop is considered. In the process, the current thermodynamic picture is compared with the classical mechanical one as based on the Peach-Köhler force.

The Weighted Burgers Vector: a new quantity for constraining dislocation densities and types using electron backscatter diffraction on 2D sections through crystalline materials.

PubMed

Wheeler, J; Mariani, E; Piazolo, S; Prior, D J; Trimby, P; Drury, M R

2009-03-01

The Weighted Burgers Vector (WBV) is defined here as the sum, over all types of dislocations, of [(density of intersections of dislocation lines with a map) x (Burgers vector)]. Here we show that it can be calculated, for any crystal system, solely from orientation gradients in a map view, unlike the full dislocation density tensor, which requires gradients in the third dimension. No assumption is made about gradients in the third dimension and they may be non-zero. The only assumption involved is that elastic strains are small so the lattice distortion is entirely due to dislocations. Orientation gradients can be estimated from gridded orientation measurements obtained by EBSD mapping, so the WBV can be calculated as a vector field on an EBSD map. The magnitude of the WBV gives a lower bound on the magnitude of the dislocation density tensor when that magnitude is defined in a coordinate invariant way. The direction of the WBV can constrain the types of Burgers vectors of geometrically necessary dislocations present in the microstructure, most clearly when it is broken down in terms of lattice vectors. The WBV has three advantages over other measures of local lattice distortion: it is a vector and hence carries more information than a scalar quantity, it has an explicit mathematical link to the individual Burgers vectors of dislocations and, since it is derived via tensor calculus, it is not dependent on the map coordinate system. If a sub-grain wall is included in the WBV calculation, the magnitude of the WBV becomes dependent on the step size but its direction still carries information on the Burgers vectors in the wall. The net Burgers vector content of dislocations intersecting an area of a map can be simply calculated by an integration round the edge of that area, a method which is fast and complements point-by-point WBV calculations.

Modeling and 2-D discrete simulation of dislocation dynamics for plastic deformation of metal

NASA Astrophysics Data System (ADS)

Liu, Juan; Cui, Zhenshan; Ou, Hengan; Ruan, Liqun

2013-05-01

Two methods are employed in this paper to investigate the dislocation evolution during plastic deformation of metal. One method is dislocation dynamic simulation of two-dimensional discrete dislocation dynamics (2D-DDD), and the other is dislocation dynamics modeling by means of nonlinear analysis. As screw dislocation is prone to disappear by cross-slip, only edge dislocation is taken into account in simulation. First, an approach of 2D-DDD is used to graphically simulate and exhibit the collective motion of a large number of discrete dislocations. In the beginning, initial grains are generated in the simulation cells according to the mechanism of grain growth and the initial dislocation is randomly distributed in grains and relaxed under the internal stress. During the simulation process, the externally imposed stress, the long range stress contribution of all dislocations and the short range stress caused by the grain boundaries are calculated. Under the action of these forces, dislocations begin to glide, climb, multiply, annihilate and react with each other. Besides, thermal activation process is included. Through the simulation, the distribution of dislocation and the stress-strain curves can be obtained. On the other hand, based on the classic dislocation theory, the variation of the dislocation density with time is described by nonlinear differential equations. Finite difference method (FDM) is used to solve the built differential equations. The dislocation evolution at a constant strain rate is taken as an example to verify the rationality of the model.

Gradient-type modeling of the effects of plastic recovery and surface passivation in thin films

NASA Astrophysics Data System (ADS)

Liu, Jinxing; Kah Soh, Ai

2016-08-01

The elasto-plastic responses of thin films subjected to cyclic tension-compression loading and bending are studied, with a focus on Bauschinger and size effects. For this purpose, a model is established by incorporating plastic recovery into the strain gradient plasticity theory we proposed recently. Elastic and plastic parts of strain and strain gradient, which are determined by the elasto-plastic decomposition according to the associative rule, are assumed to have a degree of material-dependent reversibility. Based on the above assumption, a dislocation reversibility-dependent rule is built to describe evolutions of different deformation components under cyclic loadings. Furthermore, a simple strategy is provided to implement the passivated boundary effects by introducing a gradual change to relevant material parameters in the yield function. Based on this theory, both bulge and bending tests under cyclic loading conditions are investigated. By comparing the present predictions with the existing experimental data, it is found that the yield function is able to exhibit the size effect, the Bauschinger effect, the influence of surface passivation and the hysteresis-loop phenomenon. Thus, the proposed model is deemed helpful in studying plastic deformations of micron-scale films.

Comparison of the Modified Biot-Gassmann Theory and the Kuster-Toksoz Theory in Predicting Elastic Velocities of Sediments

USGS Publications Warehouse

Lee, Myung W.

2008-01-01

Elastic velocities of water-saturated sandstones depend primarily on porosity, effective pressure, and the degree of consolidation. If the dry-frame moduli are known, from either measurements or theoretical calculations, the effect of pore water on velocities can be modeled using the Gassmann theory. Kuster and Toksoz developed a theory based on wave-scattering theory for a variety of inclusion shapes, which provides a means for calculating dry- or wet-frame moduli. In the Kuster-Toksoz theory, elastic wave velocities through different sediments can be predicted by using different aspect ratios of the sediment's pore space. Elastic velocities increase as the pore aspect ratio increases (larger pore aspect ratio describes a more spherical pore). On the basis of the velocity ratio, which is assumed to be a function of (1-0)n, and the Biot-Gassmann theory, Lee developed a semi-empirical equation for predicting elastic velocities, which is referred to as the modified Biot-Gassmann theory of Lee. In this formulation, the exponent n, which depends on the effective pressure and the degree of consolidation, controls elastic velocities; as n increases, elastic velocities decrease. Computationally, the role of exponent n in the modified Biot-Gassmann theory by Lee is similar to the role of pore aspect ratios in the Kuster-Toksoz theory. For consolidated sediments, either theory predicts accurate velocities. However, for unconsolidated sediments, the modified Biot-Gassmann theory by Lee performs better than the Kuster-Toksoz theory, particularly in predicting S-wave velocities.

A new finite element code for the study of strain-localization under strike-slip faults

NASA Astrophysics Data System (ADS)

Rodríguez-González, J.; Montesi, L.

2016-12-01

Shear localization under strike-slip faults in ductile conditions remains a matter of debate. The rheology of rocks in the ductile regime is fundamentally strain-rate hardening, which complicates the understanding of the formation of narrow shear zones. Localized shear zones are present in a variety of scales, including kilometric structures at plate boundaries. To compensate for strain-rate hardening, shear zones must be weaker than their surroundings thanks to some weakening mechanism that works at multiple length scales. Mechanisms as shear heating or grain size reduction have been invoked to explain localization of deformation, but none of these mechanisms can work in scales that range from 1 to 1000 km. Layered fabric development has been suggested as a candidate to develop localized shear zones at multiple scales. To test this hypothesis, we have developed a new software that uses the Finite Element Method library deal.II written in C++. We solve the elasticity equations for elastic and Maxwell visco-elastic mediums. A key component required to study strain localization is adaptive mesh refinement. The code automatically identifies those regions in which the deformation is being localized and will increase the resolution. We benchmark the code and test its accuracy using analytical solutions of strike-slip deformation with different boundary conditions. We simulate the instantaneous deformation caused by two kinds of dislocations: a free fault subject to a far field traction and fault with an imposed displacement. We also simulate the visco-elastic relaxation following a strike-slip dislocation. We show that deal.II is a flexible library, suitable for different problems, which will prove useful to study the mechanisms that can lead to strain localization.

Simulation of the zero-temperature behavior of a three-dimensional elastic medium

NASA Astrophysics Data System (ADS)

McNamara, David; Middleton, A. Alan; Zeng, Chen

1999-10-01

We have performed numerical simulation of a three-dimensional elastic medium, with scalar displacements, subject to quenched disorder. In the absence of topological defects this system is equivalent to a (3+1)-dimensional interface subject to a periodic pinning potential. We have applied an efficient combinatorial optimization algorithm to generate exact ground states for this interface representation. Our results indicate that this Bragg glass is characterized by power law divergences in the structure factor S(k)~Ak-3. We have found numerically consistent values of the coefficient A for two lattice discretizations of the medium, supporting universality for A in the isotropic systems considered here. We also examine the response of the ground state to the change in boundary conditions that corresponds to introducing a single dislocation loop encircling the system. The rearrangement of the ground state caused by this change is equivalent to the domain wall of elastic deformations which span the dislocation loop. Our results indicate that these domain walls are highly convoluted, with a fractal dimension df=2.60(5). We also discuss the implications of the domain wall energetics for the stability of the Bragg glass phase. Elastic excitations similar to these domain walls arise when the pinning potential is slightly perturbed. As in other disordered systems, perturbations of relative strength δ introduce a new length scale L*~δ-1/ζ beyond which the perturbed ground state becomes uncorrelated with the reference (unperturbed) ground state. We have performed a scaling analysis of the response of the ground state to the perturbations and obtain ζ=0.385(40). This value is consistent with the scaling relation ζ=df/2-θ, where θ characterizes the scaling of the energy fluctuations of low energy excitations.

Fine tune of elasticity and plasticity of olivine by water: a key to reconcile discrepancy between mineral physics and seismology models

NASA Astrophysics Data System (ADS)

Chen, J.; Girard, J.

2012-12-01

Study of mechanical properties of mantle minerals has unveiled many mysteries of Earth's interior alluded through seismic events. However, some details of seismic models remain unexplained. For instance, magnitude of seismic discontinuity at 410 km depth in seismic models is significantly larger than that derived from elastic properties of dominant minerals at such depth. For another example, although the attenuation of seismic anisotropy in the upper mantle at about 200-220 km depth can be attributed to switchover of active dislocation slip system in the dominant mineral, olivine, the depth and its variation are discrepant from that derived from the pressure at which such switchover is observed in the deformation experiment of mineral plasticity study. We have investigated influence of water on elastic and plastic behaviors of olivine through equation of state and rheological creep experiments using synchrotron x-rays at the X17C and X17B2 beamlines of the NSLS. Results indicate water significantly weakens the mineral. Elastically, 0.4 wt% H2O in olivine results in a 5% reduction in bulk modulus (i.e. from 130 GPa for anhydrous sample to 123 GPa for hydrous sample). Plastically, structural H2O in olivine influences different dislocation slip system very differently, and therefore alters the pressure of active slip system switchover with respect to "dry" sample. Even 30 ppm H2O in weight may lower down the pressure for transition from [100](010) slip to [001](010) slip by 2 GPa (i.e. from 8 GPa in dry condition to 6 GPa in wet condition). Implications of these results will be discussed in this presentation. Together with previously reported results on elastic and plastic properties of mantle dominant minerals, we are able to reconcile the discrepancies between mineral physics and seismology models for the magnitude of 410 km discontinuity and for the attenuation of seismic anisotropy at about 200-220 km respectively.

Nonrigid 3D medical image registration and fusion based on deformable models.

PubMed

Liu, Peng; Eberhardt, Benjamin; Wybranski, Christian; Ricke, Jens; Lüdemann, Lutz

2013-01-01

For coregistration of medical images, rigid methods often fail to provide enough freedom, while reliable elastic methods are available clinically for special applications only. The number of degrees of freedom of elastic models must be reduced for use in the clinical setting to archive a reliable result. We propose a novel geometry-based method of nonrigid 3D medical image registration and fusion. The proposed method uses a 3D surface-based deformable model as guidance. In our twofold approach, the deformable mesh from one of the images is first applied to the boundary of the object to be registered. Thereafter, the non-rigid volume deformation vector field needed for registration and fusion inside of the region of interest (ROI) described by the active surface is inferred from the displacement of the surface mesh points. The method was validated using clinical images of a quasirigid organ (kidney) and of an elastic organ (liver). The reduction in standard deviation of the image intensity difference between reference image and model was used as a measure of performance. Landmarks placed at vessel bifurcations in the liver were used as a gold standard for evaluating registration results for the elastic liver. Our registration method was compared with affine registration using mutual information applied to the quasi-rigid kidney. The new method achieved 15.11% better quality with a high confidence level of 99% for rigid registration. However, when applied to the quasi-elastic liver, the method has an averaged landmark dislocation of 4.32 mm. In contrast, affine registration of extracted livers yields a significantly (P = 0.000001) smaller dislocation of 3.26 mm. In conclusion, our validation shows that the novel approach is applicable in cases where internal deformation is not crucial, but it has limitations in cases where internal displacement must also be taken into account.

Atomistic simulation study of influence of Al2O3-Al interface on dislocation interaction and prismatic loop formation during nano-indentation on Al2O3-coated aluminum.

PubMed

Mishra, Srishti; Meraj, Md; Pal, Snehanshu

2018-06-19

A large-scale molecular dynamics (MD) simulation of nano-indentation was carried out to provide insight into the influence of the Al-Al 2 O 3 interface on dislocation evolution and deformation behavior of Al substrate coated with Al 2 O 3 thin film. Adaptive common neighbor analysis (a-CNA), centro-symmetry parameter (CSP) estimation, and dislocation extraction algorithm (DXA) were implemented to represent structural evolution during nano-indentation deformation. The absence of elastic regime was observed in the P-h curve for this simulated nano-indentation test of Al 2 O 3 thin film coated Al specimen. The displacement of oxygen atoms from Al 2 O 3 to Al partly through the interface greatly influences the plastic deformation behavior of the specimen during nano-indentation. Prismatic dislocation loops, which are formed due to pinning of Shockley partials (1/6 < 112>) by Stair-rod (1/6 < 110>) and Hirth dislocation (1/3 < 001>), were observed in all cases studied in this work. Pile-up of atoms was also observed and the extent of the pile-up was found to vary with the test temperature. A distorted stacking fault tetrahedron (SFT) is formed when a nano-indentation test is carried out at 100 K. The presence of a prismatic dislocation loop, SFT and dislocation forest caused strain hardening and, consequently, there is an increase in hardness as indentation depth increases. Graphical abstract Figure illustrates nano-indentation model set up along with load vs. depth curve and distorted stacking fault tetrahedron.

Coseismic and postseismic slip distribution of the 2003 Mw = 6.5 Chengkung earthquake in eastern Taiwan: Elastic modeling from inversion of GPS data

NASA Astrophysics Data System (ADS)

Cheng, Li-Wei; Lee, Jian-Cheng; Hu, Jyr-Ching; Chen, Horng-Yue

2009-03-01

The Chengkung earthquake with ML = 6.6 occurred in eastern Taiwan at 12:38 local time on December 10th 2003. Based on the main shock relocation and aftershock distribution, the Chengkung earthquake occurred along the previously recognized N20°E trending Chihshang fault. This event did not cause human loss, but significant cracks developed at the ground surface and damaged some buildings. After 1951 Taitung earthquake, there was no larger ML > 6 earthquake occurred in this region until the Chengkung earthquake. As a result, the Chengkung earthquake is a good opportunity to study the seismogenic structure of the Chihshang fault. The coseismic displacements recorded by GPS show a fan-shaped distribution with maximal displacement of about 30 cm near the epicenter. The aftershocks of the Chengkung earthquake revealing an apparent linear distribution helps us to construct the clear fault geometry of the Chihshang fault. In this study, we employ a half-space angular elastic dislocation model with GPS observations to figure out the slip distribution and seismological behavior of the Chengkung earthquake on the Chihshang fault. The elastic half-space dislocation model reveals that the Chengkung earthquake is a thrust event with minor left-lateral strike-slip component. The maximum coseismic slip is located around the depth of 20 km and up to 1.1 m. The slips are gradually decreased to less than 10 cm near the surface part of the Chihshang fault. The seismogenic fault plane, which is constructed by the delineation of the aftershocks, demonstrates that the Chihshang fault is a high-angle fault. However the fault plane changes to a flat plane at depth of 20 km. In addition, a significant part of the measured deformation across the surface fault zone for this earthquake can be attributed to postseismic creep. The postseismic elastic dislocation model shows that most afterslips are distributed to the upper level of the Chihshang fault. And most afterslips consist of both of dip- and left-lateral slip. The model results show that the Chihshang fault may be partially locked or damped near surface during coseismic slip. After the mainshock, the strain, which cumulated near the surface, was released by postseismic creep resulting in significant postseismic deformation.

On the mobility of carriers at semi-coherent oxide heterointerfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dholabhai, Pratik P.; Martinez, Enrique Saez; Brown, Nicholas Taylor

In the quest to develop new materials with enhanced ionic conductivity for battery and fuel cell applications, nano-structured oxides have attracted attention. Experimental reports indicate that oxide heterointerfaces can lead to enhanced ionic conductivity, but these same reports cannot elucidate the origin of this enhancement, often vaguely referring to pipe diffusion at misfit dislocations as a potential explanation. However, this highlights the need to understand the role of misfit dislocation structure at semi-coherent oxide heterointerfaces in modifying carrier mobilities. Here, we use atomistic and kinetic Monte Carlo (KMC) simulations to develop a model of oxygen vacancy migration at SrTiO 3/MgOmore » interfaces, chosen because the misfit dislocation structure can be modified by changing the termination chemistry. We use atomistic simulations to determine the energetics of oxygen vacancies at both SrO and TiO 2 terminated interfaces, which are then used as the basis of the KMC simulations. While this model is approximate (as revealed by select nudged elastic band calculations), it highlights the role of the misfit dislocation structure in modifying the oxygen vacancy dynamics. We find that oxygen vacancy mobility is significantly reduced at either interface, with slight differences at each interface due to the differing misfit dislocation structure. Here, we conclude that if such semi-coherent oxide heterointerfaces induce enhanced ionic conductivity, it is not a consequence of higher carrier mobility.« less

On the mobility of carriers at semi-coherent oxide heterointerfaces

DOE PAGES

Dholabhai, Pratik P.; Martinez, Enrique Saez; Brown, Nicholas Taylor; ...

2017-08-17

In the quest to develop new materials with enhanced ionic conductivity for battery and fuel cell applications, nano-structured oxides have attracted attention. Experimental reports indicate that oxide heterointerfaces can lead to enhanced ionic conductivity, but these same reports cannot elucidate the origin of this enhancement, often vaguely referring to pipe diffusion at misfit dislocations as a potential explanation. However, this highlights the need to understand the role of misfit dislocation structure at semi-coherent oxide heterointerfaces in modifying carrier mobilities. Here, we use atomistic and kinetic Monte Carlo (KMC) simulations to develop a model of oxygen vacancy migration at SrTiO 3/MgOmore » interfaces, chosen because the misfit dislocation structure can be modified by changing the termination chemistry. We use atomistic simulations to determine the energetics of oxygen vacancies at both SrO and TiO 2 terminated interfaces, which are then used as the basis of the KMC simulations. While this model is approximate (as revealed by select nudged elastic band calculations), it highlights the role of the misfit dislocation structure in modifying the oxygen vacancy dynamics. We find that oxygen vacancy mobility is significantly reduced at either interface, with slight differences at each interface due to the differing misfit dislocation structure. Here, we conclude that if such semi-coherent oxide heterointerfaces induce enhanced ionic conductivity, it is not a consequence of higher carrier mobility.« less

The effect of grain orientation on nanoindentation behavior of model austenitic alloy Fe-20Cr-25Ni

DOE PAGES

Chen, Tianyi; Tan, Lizhen; Lu, Zizhe; ...

2017-07-26

Instrumented nanoindentation was used in this paper to investigate the hardness, elastic modulus, and creep behavior of an austenitic Fe-20Cr-25Ni model alloy at room temperature, with the indented grain orientation being the variant. The samples indented close to the {111} surfaces exhibited the highest hardness and modulus. However, nanoindentation creep tests showed the greatest tendency for creep in the {111} indented samples, compared with the samples indented close to the {001} and {101} surfaces. Scanning electron microscopy and cross-sectional transmission electron microscopy revealed slip bands and dislocations in all samples. The slip band patterns on the indented surfaces were influencedmore » by the grain orientations. Deformation twinning was observed only under the {001} indented surfaces. Finally, microstructural analysis and molecular dynamics modeling correlated the anisotropic nanoindentation-creep behavior with the different dislocation substructures formed during indentation, which resulted from the dislocation reactions of certain active slip systems that are determined by the indented grain orientations.« less

Analysis of synthetic diamond single crystals by X-ray topography and double-crystal diffractometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prokhorov, I. A., E-mail: igor.prokhorov@mail.ru; Ralchenko, V. G.; Bolshakov, A. P.

2013-12-15

Structural features of diamond single crystals synthesized under high pressure and homoepitaxial films grown by chemical vapor deposition (CVD) have been analyzed by double-crystal X-ray diffractometry and topography. The conditions of a diffraction analysis of diamond crystals using Ge monochromators have been optimized. The main structural defects (dislocations, stacking faults, growth striations, second-phase inclusions, etc.) formed during crystal growth have been revealed. The nitrogen concentration in high-pressure/high-temperature (HPHT) diamond substrates is estimated based on X-ray diffraction data. The formation of dislocation bundles at the film-substrate interface in the epitaxial structures has been revealed by plane-wave topography; these dislocations are likelymore » due to the relaxation of elastic macroscopic stresses caused by the lattice mismatch between the substrate and film. The critical thicknesses of plastic relaxation onset in CVD diamond films are calculated. The experimental techniques for studying the real diamond structure in optimizing crystal-growth technology are proven to be highly efficient.« less

Origin of tension-compression asymmetry in ultrafine-grained fcc metals

NASA Astrophysics Data System (ADS)

Tsuru, T.

2017-08-01

A mechanism of anomalous tension-compression (T-C) asymmetry in ultrafine-grained (UFG) metals is proposed using large-scale atomistic simulations and dislocation theory. Unlike coarse-grained metals, UFG Al exhibits remarkable T-C asymmetry of the yield stress. The atomistic simulations reveal that the yield event is not related to intragranular dislocations but caused by dislocation nucleation from the grain boundaries (GBs). The dislocation core structure associated with the stacking fault energy in Al is strongly affected by the external stress compared with Cu; specifically, high tensile stress stabilizes the dissociation into partial dislocations. These dislocations are more likely to be nucleated from GBs and form deformation twins from an energetic viewpoint. The mechanism, which is different from well-known mechanisms for nanocrystalline and amorphous metals, is unique to high-strength UFG metals and can explain the difference in T-C asymmetry between UFG Cu and Al.

Hollow-core screw dislocations in 6H-SiC single crystals: A test of Frank`s theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Si, W.; Dudley, M.; Glass, R.

1997-03-01

Hollow-core screw dislocations, also known as `micropipes`, along the [0001] axis in 6H-SiC single crystals, have been studied by synchrotron white beam x-ray topography (SWBXT), scanning electron microscopy (SEM), and Nomarski optical microscopy (NOM). Using SWBXT, the magnitude of the burgers vector of screw dislocations has been determined by measuring the following four parameters: (1) the diameter of dislocation images in back-reflection topographs; (2) the width of bimodal dislocation images in transmission topographs; (3) the magnitude of the tilt of lattice planes on both sides of dislocation core in projection topographs; and (4) the magnitude of the tilt of latticemore » planes in section topographs. The four methods show good agreement. The burgers vector magnitude of screw dislocations, b, and the diameter of associated micropipes, D, were fitted to Frank`s prediction for hollow-core screw dislocations: D = {mu}b{sup 2}/4{pi}{sup 2}{gamma}, where {mu} is shear modulus, and {gamma} is specific surface energy. 15 refs., 17 figs.« less

Dislocation mechanism based model for stage II fatigue crack propagation rate

NASA Technical Reports Server (NTRS)

Mazumdar, P. K.

1986-01-01

Repeated plastic deformation, which of course depends on dislocation mechanism, at or near the crack tip leads to the fatigue crack propagation. By involving the theory of thermally activated flow and the cumulative plastic strain criterion, an effort is made here to model the stage II fatigue crack propagation rate in terms of the dislocation mechanism. The model, therefore, provides capability to ascertain: (1) the dislocation mechanism (and hence the near crack tip microstructures) assisting the crack growth, (2) the relative resistance of dislocation mechanisms to the crack growth, and (3) the fracture surface characteristics and its interpretation in terms of the dislocation mechanism. The local microstructure predicted for the room temperature crack growth in copper by this model is in good agreement with the experimental results taken from the literature. With regard to the relative stability of such dislocation mechanisms as the cross-slip and the dislocation intersection, the model suggests an enhancement of crack growth rate with an ease of cross-slip which in general promotes dislocation cell formation and is common in material which has high stacking fault energy (produces wavy slips). Cross-slip apparently enhances crack growth rate by promoting slip irreversibility and fracture surface brittleness to a greater degree.

Anisotropic scattering effect of the inclined misfit dislocation on the two-dimensional electron gas in Al(In)GaN/GaN heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jin, Dong-Dong; Department of Physics, Tsinghua University, Beijing 100084; Wang, Lian-shan, E-mail: ls-wang@semi.ac.cn

In this paper, a theory is developed to study the anisotropic scattering effect of the inclined misfit dislocation on the two-dimensional electron gas in Al(In)GaN/GaN heterostructures. The inclined misfit dislocation, which differs from the well-known vertical threading dislocation, has a remarkable tilt angle from the vertical. The predicted electron mobility shows a remarkable anisotropy. It has a maximum mobility value along the direction perpendicular to the projection of the inclined dislocation line, and a minimum mobility value along the direction parallel to the projection. The degree of the anisotropic scattering effect will be even greater with the increase of themore » tilt angle.« less

Dislocation nucleation facilitated by atomic segregation

NASA Astrophysics Data System (ADS)

Zou, Lianfeng; Yang, Chaoming; Lei, Yinkai; Zakharov, Dmitri; Wiezorek, Jörg M. K.; Su, Dong; Yin, Qiyue; Li, Jonathan; Liu, Zhenyu; Stach, Eric A.; Yang, Judith C.; Qi, Liang; Wang, Guofeng; Zhou, Guangwen

2018-01-01

Surface segregation--the enrichment of one element at the surface, relative to the bulk--is ubiquitous to multi-component materials. Using the example of a Cu-Au solid solution, we demonstrate that compositional variations induced by surface segregation are accompanied by misfit strain and the formation of dislocations in the subsurface region via a surface diffusion and trapping process. The resulting chemically ordered surface regions acts as an effective barrier that inhibits subsequent dislocation annihilation at free surfaces. Using dynamic, atomic-scale resolution electron microscopy observations and theory modelling, we show that the dislocations are highly active, and we delineate the specific atomic-scale mechanisms associated with their nucleation, glide, climb, and annihilation at elevated temperatures. These observations provide mechanistic detail of how dislocations nucleate and migrate at heterointerfaces in dissimilar-material systems.

Nonplanar core structure of the screw dislocations in tantalum from the improved Peierls-Nabarro theory

NASA Astrophysics Data System (ADS)

Hu, Xiangsheng; Wang, Shaofeng

2018-02-01

The extended structure of ? screw dislocation in Ta has been studied theoretically using the improved Peierls-Nabarro model combined with the first principles calculation. An instructive way to derive the fundamental equation for dislocations with the nonplanar structure is presented. The full ?-surface of ? plane in tantalum is evaluated from the first principles. In order to compare the energy of the screw dislocation with different structures, the structure parameter is introduced to describe the core configuration. Each kind of screw dislocation is described by an overall-shape component and a core component. Far from the dislocation centre, the asymptotic behaviour of dislocation is uniquely controlled by the overall-shape component. Near the dislocation centre, the structure detail is described by the core component. The dislocation energy is explicitly plotted as a function of the core parameter for the nonplanar dislocation as well as for the planar dislocation. It is found that in the physical regime of the core parameter, the sixfold nonplanar structure always has the lowest energy. Our result clearly confirms that the sixfold nonplanar structure is the most stable. Furthermore, the pressure effect on the dislocation structure is explored up to 100 GPa. The stability of the sixfold nonplanar structure is not changed by the applied pressure. The equilibrium structure and the related stress field are calculated, and a possible mechanism of the dislocation movement is discussed briefly based on the structure deformation caused by the external stress.

Mechanical behavior of nanocrystalline NaCl islands on Cu(111).

PubMed

Bombis, Ch; Ample, F; Mielke, J; Mannsberger, M; Villagómez, C J; Roth, Ch; Joachim, C; Grill, L

2010-05-07

The mechanical response of ultrathin NaCl crystallites of nanometer dimensions upon manipulation with the tip of a scanning tunneling microscope (STM) is investigated, expanding STM manipulation to various nanostructuring modes of inorganic materials as cutting, moving, and cracking. In the light of theoretical calculations, our results reveal that atomic-scale NaCl islands can behave elastically and follow a classical Hooke's law. When the elastic limit of the nanocrystallites is reached, the STM tip induces atomic dislocations and consequently the regime of plastic deformation is entered. Our methodology is paving the way to understand the mechanical behavior and properties of other nanoscale materials.

Oscillations of kinks on dislocation lines in crystals and low-temperature transport anomalies as a ``passport'' of newly-induced defects

NASA Astrophysics Data System (ADS)

Mezhov-Deglin, L. P.; Mukhin, S. I.

2011-10-01

The possible interpretation of experimental data on low-temperature anomalies in weakly deformed metallic crystals prepared form ultra-pure lead, copper, and silver, as well as in crystals of 4He is discussed within the previously proposed theoretical picture of dislocations with dynamical kinks. In the case of pure metals the theoretical predictions give a general picture of interaction of conduction electrons in a sample with newly-introduced dislocations, containing dynamic kinks in the Peierls potential relief. In the field of random stresses appearing due to plastic deformation of a sample, kinks on the dislocation line form a set of one-dimensional oscillators in potential wells of different shapes. In the low temperature region at low enough density of defects pinning kinks the inelastic scattering of electrons on kinks should lead to deviations from the Wiedemann-Franz law. In particular, the inelastic scattering on kinks should result in a quadratic temperature dependence of the thermal conductivity in a metallic sample along preferential directions of dislocation axes. In the plane normal to the dislocation axis the elastic large-angle scattering of electrons is prevalent. The kink pinning by a point defect or by additional dislocations as well as the sample annealing leading to the disappearance of kinks should induce suppression of transport anomalies. Thus, the energy interval for the spectrum of kink oscillations restricted by characteristic amplitude of the Peierls relief is a "passport of deformation history" for each specific sample. For instance, in copper the temperature/energy region of the order of 1 K corresponds to it. It is also planned to discuss in the other publication applicability of mechanism of phonon scattering on mobile dislocation kinks and pinning of kinks by impurities in order to explain anomalies of phonon thermal conductivity of 4He crystals and deformed crystals of pure lead in a superconducting state.

Magnitude, moment, and measurement: The seismic mechanism controversy and its resolution.

PubMed

Miyake, Teru

This paper examines the history of two related problems concerning earthquakes, and the way in which a theoretical advance was involved in their resolution. The first problem is the development of a physical, as opposed to empirical, scale for measuring the size of earthquakes. The second problem is that of understanding what happens at the source of an earthquake. There was a controversy about what the proper model for the seismic source mechanism is, which was finally resolved through advances in the theory of elastic dislocations. These two problems are linked, because the development of a physically-based magnitude scale requires an understanding of what goes on at the seismic source. I will show how the theoretical advances allowed seismologists to re-frame the questions they were trying to answer, so that the data they gathered could be brought to bear on the problem of seismic sources in new ways. Copyright © 2017 Elsevier Ltd. All rights reserved.

Asymptotic self-restabilization of a continuous elastic structure

NASA Astrophysics Data System (ADS)

Bosi, F.; Misseroni, D.; Dal Corso, F.; Neukirch, S.; Bigoni, D.

2016-12-01

A challenge in soft robotics and soft actuation is the determination of an elastic system that spontaneously recovers its trivial path during postcritical deformation after a bifurcation. The interest in this behavior is that a displacement component spontaneously cycles around a null value, thus producing a cyclic soft mechanism. An example of such a system is theoretically proven through the solution of the elastica and a stability analysis based on dynamic perturbations. It is shown that the asymptotic self-restabilization is driven by the development of a configurational force, of similar nature to the Peach-Koehler interaction between dislocations in crystals, which is derived from the principle of least action. A proof-of-concept prototype of the discovered elastic system is designed, realized, and tested, showing that this innovative behavior can be obtained in a real mechanical apparatus.

Roughening of surfaces under intense and rapid heating

NASA Astrophysics Data System (ADS)

Andersen, Michael Louis

The High Average Power Laser (HAPL) project is aimed at a chamber design with a solid first wall in pursuit of sustained Laser Inertial Confinement Fusion. The wall must be able to withstand cyclic high temperatures and the corresponding thermal stresses. Tungsten was proposed as a suitable armor for the wall, because as a refractory metal, it has a high melting temperature and can act as a stress dampener. The nature of the surface loading consists of x-rays, ions, and neutrons, which through mainly thermal loading, create a biaxial surface stress. This condition causes the surface to roughen as ridges and valleys form to relieve the elastic energy. As the valleys deepen they eventually become cracks and traditional fracture mechanics can be used to determine the life of the first wall. Beginning from the Asaro-Tiller-Grinfeld instability, sharp interface calculations can be performed to determine the surface profile as a result of the interplay between surface stress energy and mass transport mechanisms. One successful approach to determine interface evolution is phase field theory and its embodiment in the numerical level-set method. Applications of the method included problems of solid/liquid and solid/vapor interfaces. In the present method, however, we develop a numerical procedure for surface profile tracking directly without the need to develop partial differential equations for the phase field, which typically smooth out sharp interfaces. Surface roughening instabilities, which are driven by a competition between elastic and surface energy contributions, are shown to be significantly controlled by plastic energy dissipation. We consider here a general parametric description of the surface of a stressed solid and through a mechanical kinetic transport mechanism, follow the temporal evolution of the surface morphology. It is found that once a groove reaches a certain depth and curvature, an instability is created that cannot be followed through elasticity alone. It is shown in this thesis that these morphological instabilities do not experience unbounded growth, as predicted by consideration of elastic energy alone, and that their growth will be severely limited by dislocation emission from high curvature grooves. Comparisons between perturbation theory and the present numerical approach are given along with comparisons to results from laser, ion, and x-ray experiments. Finally, the model is applied to the conditions of Inertial Confinement Fusion chamber walls to determine the number of cycles for crack nucleation.

Anisotropic elastic scattering of stripe/line-shaped scatters to two-dimensional electron gas: Model and illustrations in a nonpolar AlGaN/GaN hetero-junction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Jinfeng, E-mail: jfzhang@xidian.edu.cn; Li, Yao; Yan, Ran

In a semiconductor hetero-junction, the stripe/line-shaped scatters located at the hetero-interface lead to the anisotropic transport of two-dimensional electron gas (2DEG). The elastic scattering of infinitely long and uniform stripe/line-shaped scatters to 2DEG is theoretically investigated based on a general theory of anisotropic 2DEG transport [J. Schliemann and D. Loss, Phys. Rev. B 68(16), 165311 (2003)], and the resulting 2DEG mobility along the applied electrical field is modeled to be a function of the angle between the field and the scatters. The anisotropy of the scattering and the mobility originate in essence from that the stripe/line-shaped scatters act upon themore » injecting two-dimensional wave vector by changing only its component perpendicular to the scatters. Three related scattering mechanisms in a nonpolar AlGaN/GaN hetero-junction are discussed as illustrations, including the striated morphology caused interface roughness scattering, and the polarization induced line charge dipole scattering and the misfit dislocation scattering at the AlGaN/GaN interface. Different anisotropic behaviors of the mobility limited by these scattering mechanisms are demonstrated, but analysis shows that all of them are determined by the combined effects of the anisotropic bare scattering potential and the anisotropic dielectric response of the 2DEG.« less

Analytical close-form solutions to the elastic fields of solids with dislocations and surface stress

NASA Astrophysics Data System (ADS)

Ye, Wei; Paliwal, Bhasker; Ougazzaden, Abdallah; Cherkaoui, Mohammed

2013-07-01

The concept of eigenstrain is adopted to derive a general analytical framework to solve the elastic field for 3D anisotropic solids with general defects by considering the surface stress. The formulation shows the elastic constants and geometrical features of the surface play an important role in determining the elastic fields of the solid. As an application, the analytical close-form solutions to the stress fields of an infinite isotropic circular nanowire are obtained. The stress fields are compared with the classical solutions and those of complex variable method. The stress fields from this work demonstrate the impact from the surface stress when the size of the nanowire shrinks but becomes negligible in macroscopic scale. Compared with the power series solutions of complex variable method, the analytical solutions in this work provide a better platform and they are more flexible in various applications. More importantly, the proposed analytical framework profoundly improves the studies of general 3D anisotropic materials with surface effects.

Longitudinal waves in carbon nanotubes in the presence of transverse magnetic field and elastic medium

NASA Astrophysics Data System (ADS)

Liu, Hu; Liu, Hua; Yang, Jialing

2017-09-01

In the present paper, the coupling effect of transverse magnetic field and elastic medium on the longitudinal wave propagation along a carbon nanotube (CNT) is studied. Based on the nonlocal elasticity theory and Hamilton's principle, a unified nonlocal rod theory which takes into account the effects of small size scale, lateral inertia and radial deformation is proposed. The existing rod theories including the classic rod theory, the Rayleigh-Love theory and Rayleigh-Bishop theory for macro solids can be treated as the special cases of the present model. A two-parameter foundation model (Pasternak-type model) is used to represent the elastic medium. The influence of transverse magnetic field, Pasternak-type elastic medium and small size scale on the longitudinal wave propagation behavior of the CNT is investigated in detail. It is shown that the influences of lateral inertia and radial deformation cannot be neglected in analyzing the longitudinal wave propagation characteristics of the CNT. The results also show that the elastic medium and the transverse magnetic field will also affect the longitudinal wave dispersion behavior of the CNT significantly. The results obtained in this paper are helpful for understanding the mechanical behaviors of nanostructures embedded in an elastic medium.

Deformation of island-arc lithosphere due to steady plate subduction

NASA Astrophysics Data System (ADS)

Fukahata, Yukitoshi; Matsu'ura, Mitsuhiro

2016-02-01

Steady plate subduction elastically brings about permanent lithospheric deformation in island arcs, though this effect has been neglected in most studies based on elastic dislocation theory. We investigate the characteristics of the permanent lithospheric deformation using a kinematic model, in which steady slip motion is given along a plate interface in the elastic lithosphere overlying the viscoelastic asthenosphere under gravity. As a rule of thumb, long-term lithospheric deformation can be understood as a bending of an elastic plate floating on non-viscous fluid, because the asthenosphere behaves like water on the long term. The steady slip below the lithosphere-asthenosphere boundary does not contribute to long-term lithospheric deformation. Hence, the key parameters that control the lithospheric deformation are only the thickness of the lithosphere and the geometry of the plate interface. Slip on a plate interface generally causes substantial vertical displacement, and gravity always tries to retrieve the original gravitational equilibrium. For a curved plate interface gravity causes convex upward bending of the island-arc lithosphere, while for a planar plate interface gravity causes convex downward bending. Larger curvature and thicker lithosphere generally results in larger deformation. When the curvature changes along the plate interface, internal deformation is also involved intrinsically, which modifies the deformation field due to gravity. Because the plate interface generally has some curvature, at least near the trench, convex upward bending of the island-arc lithosphere, which involves uplift of island-arc and subsidence around the trench, is always realized. On the other hand, the deformation field of the island-arc lithosphere sensitively depends on lithospheric thickness and plate interface geometry. These characteristics obtained by the numerical simulation are consistent with observed topography and free-air gravity anomalies in subduction zones: a pair of topography and gravity anomalies, high in the arc and low around the trench, is observed without exceptions all over the world, while there are large variety in the amplitude and horizontal scale of the topography and gravity anomalies.

Intermediate states and structure evolution in the free-falling process of the dislocation in graphene

NASA Astrophysics Data System (ADS)

Wang, Shaofeng; Yao, Yin; Bai, Jianhui; Wang, Rui

2017-04-01

This paper investigated the intermediate states and the structure evolution of the dislocation in graphene when it falls freely from the saddle point of the energy landscape. The O-type dislocation, an unstable equilibrium structure located at the saddle point, is obtained from the lattice theory of the dislocation structure and improved by the ab initio calculation to take the buckling into account. Intermediate states along the kinetics path in the falling process are obtained from the ab initio simulation. Once the dislocation falls from the saddle point to the energy valley, this O-type dislocation transforms into the stable structure that is referred to as the B-type dislocation, and in the meantime, it moves a distance that equals half a Burgers vector. The structure evolution and the energy variation in the free-falling process are revealed explicitly. It is observed that rather than smooth change, a platform manifests itself in the energy curve. The unusual behaviour in the energy curve is mainly originated from symmetry breaking and bond formation in the dislocation core. The results can provide deep insight in the mechanism of the brittle feature of covalent materials.

Creep Deformation by Dislocation Movement in Waspaloy

PubMed Central

Whittaker, Mark; Harrison, Will; Deen, Christopher; Rae, Cathie; Williams, Steve

2017-01-01

Creep tests of the polycrystalline nickel alloy Waspaloy have been conducted at Swansea University, for varying stress conditions at 700 °C. Investigation through use of Transmission Electron Microscopy at Cambridge University has examined the dislocation networks formed under these conditions, with particular attention paid to comparing tests performed above and below the yield stress. This paper highlights how the dislocation structures vary throughout creep and proposes a dislocation mechanism theory for creep in Waspaloy. Activation energies are calculated through approaches developed in the use of the recently formulated Wilshire Equations, and are found to differ above and below the yield stress. Low activation energies are found to be related to dislocation interaction with γ′ precipitates below the yield stress. However, significantly increased dislocation densities at stresses above yield cause an increase in the activation energy values as forest hardening becomes the primary mechanism controlling dislocation movement. It is proposed that the activation energy change is related to the stress increment provided by work hardening, as can be observed from Ti, Ni and steel results. PMID:28772421

Thermal activation of dislocations in large scale obstacle bypass

NASA Astrophysics Data System (ADS)

Sobie, Cameron; Capolungo, Laurent; McDowell, David L.; Martinez, Enrique

2017-08-01

Dislocation dynamics simulations have been used extensively to predict hardening caused by dislocation-obstacle interactions, including irradiation defect hardening in the athermal case. Incorporating the role of thermal energy on these interactions is possible with a framework provided by harmonic transition state theory (HTST) enabling direct access to thermally activated reaction rates using the Arrhenius equation, including rates of dislocation-obstacle bypass processes. Moving beyond unit dislocation-defect reactions to a representative environment containing a large number of defects requires coarse-graining the activation energy barriers of a population of obstacles into an effective energy barrier that accurately represents the large scale collective process. The work presented here investigates the relationship between unit dislocation-defect bypass processes and the distribution of activation energy barriers calculated for ensemble bypass processes. A significant difference between these cases is observed, which is attributed to the inherent cooperative nature of dislocation bypass processes. In addition to the dislocation-defect interaction, the morphology of the dislocation segments pinned to the defects play an important role on the activation energies for bypass. A phenomenological model for activation energy stress dependence is shown to describe well the effect of a distribution of activation energies, and a probabilistic activation energy model incorporating the stress distribution in a material is presented.

A new orientation relationship between cementite and austenite and coexistence of pseudo-primary and secondary dislocations in the habit plane

NASA Astrophysics Data System (ADS)

Xu, Wen-Sheng; Zhang, Wen-Zheng

2018-01-01

A new orientation relationship (OR) is found between Widmanstätten cementite precipitates and the austenite matrix in a 1.3C-14Mn steel. The associated habit plane (HP) and the dislocations in the HP have been investigated with transmission electron microscopy. The HP is parallel to ? in cementite, and it is parallel to ? in austenite. Three groups of interfacial dislocations are observed in the HP, with limited quantitative experimental data. The line directions, the spacing and the Burgers vectors of two sets of dislocations have been calculated based on a misfit analysis, which combines the CSL/DSC/O-lattice theories, row matching and good matching site (GMS) mappings. The calculated results are in reasonable agreement with the experimental results. The dislocations 'Coarse 1' and 'Fine 1' are in the same direction as the matching rows, i.e. ?. 'Coarse 1' dislocations are secondary dislocations with a Burgers vector of ?, and 'Fine 1' dislocations are pseudo-primary dislocations with a plausible Burgers vector of ?. The reason why the fraction of the new OR is much less than that of the dominant Pitsch OR has been discussed in terms of the degree of matching in the HPs.

Dislocation loops in ultra-high purity Fe(Cr) alloys after 7.2 MeV proton irradiation

NASA Astrophysics Data System (ADS)

Chen, J.; Duval, F.; Jung, P.; Schäublin, R.; Gao, N.; Barthe, M. F.

2018-05-01

Ultra-high purity Fe(Cr) alloys (from 0 wt% Cr to 14 wt% Cr) were 3D homogeneously irradiated by 0-7.2 MeV protons to 0.3 dpa at nominal temperatures from 270 °C to 500 °C. Microstructural changes were observed by transmission electron microscopy (TEM). The results showed that evolution of dislocation loops depends on the Cr content. Below 300 °C, large ½ a0 <111> loops are dominating. Above 300 °C, a0 <100> loops with a habit plane {100} appear. Loop sizes of both types are more or less the same. At temperatures from 310 °C to 400 °C, a0 <100> loops form clusters with the same {100} habit plane as the one of the loops forming them. This indicates that <100> loops of the same variant start gliding under mutual elastic interaction. At 500 °C, dislocation loops form disc shaped clusters about 1000 nm in diameter and sitting on {111} and/or {100} planes in the pure Fe samples. Based on these observations a quantitative analysis of the dislocation loops configurations and their temperature dependence is made, leading to an understanding of the basic mechanisms of formation of these loops.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hansen, Benjamin L; Bronkhorst, Curt; Beyerlein, Irene

The goal of this work is to formulate a constitutive model for the deformation of metals over a wide range of strain rates. Damage and failure of materials frequently occurs at a variety of deformation rates within the same sample. The present state of the art in single crystal constitutive models relies on thermally-activated models which are believed to become less reliable for problems exceeding strain rates of 10{sup 4} s{sup -1}. This talk presents work in which we extend the applicability of the single crystal model to the strain rate region where dislocation drag is believed to dominate. Themore » elastic model includes effects from volumetric change and pressure sensitive moduli. The plastic model transitions from the low-rate thermally-activated regime to the high-rate drag dominated regime. The direct use of dislocation density as a state parameter gives a measurable physical mechanism to strain hardening. Dislocation densities are separated according to type and given a systematic set of interactions rates adaptable by type. The form of the constitutive model is motivated by previously published dislocation dynamics work which articulated important behaviors unique to high-rate response in fcc systems. The proposed material model incorporates thermal coupling. The hardening model tracks the varying dislocation population with respect to each slip plane and computes the slip resistance based on those values. Comparisons can be made between the responses of single crystals and polycrystals at a variety of strain rates. The material model is fit to copper.« less

High Strain Rate and Shock-Induced Deformation in Metals

NASA Astrophysics Data System (ADS)

Ravelo, Ramon

2012-02-01

Large-scale non-equilibrium molecular Dynamics (MD) simulations are now commonly used to study material deformation at high strain rates (10^9-10^12 s-1). They can provide detailed information-- such as defect morphology, dislocation densities, and temperature and stress profiles, unavailable or hard to measure experimentally. Computational studies of shock-induced plasticity and melting in fcc and bcc single, mono-crystal metals, exhibit generic characteristics: high elastic limits, large directional anisotropies in the yield stress and pre-melting much below the equilibrium melt temperature for shock wave propagation along specific crystallographic directions. These generic features in the response of single crystals subjected to high strain rates of deformation can be explained from the changes in the energy landscape of the uniaxially compressed crystal lattice. For time scales relevant to dynamic shock loading, the directional-dependence of the yield strength in single crystals is shown to be due to the onset of instabilities in elastic-wave propagation velocities. The elastic-plastic transition threshold can accurately be predicted by a wave-propagation stability analysis. These strain-induced instabilities create incipient defect structures, which can be quite different from the ones, which characterize the long-time, asymptotic state of the compressed solid. With increase compression and strain rate, plastic deformation via extended defects gives way to amorphization associated with the loss in shear rigidity along specific deformation paths. The hot amorphous or (super-cooled liquid) metal re-crystallizes at rates, which depend on the temperature difference between the amorphous solid and the equilibrium melt line. This plastic-amorphous transition threshold can be computed from shear-waves stability analyses. Examples from selected fcc and bcc metals will be presented employing semi-empirical potentials of the embedded atom method (EAM) type as well as results from density functional theory calculations.

Anomalous elasticity, fluctuations and disorder in elastic membranes

NASA Astrophysics Data System (ADS)

Le Doussal, Pierre; Radzihovsky, Leo

2018-05-01

Motivated by freely suspended graphene and polymerized membranes in soft and biological matter we present a detailed study of a tensionless elastic sheet in the presence of thermal fluctuations and quenched disorder. The manuscript is based on an extensive draft dating back to 1993, that was circulated privately. It presents the general theoretical framework and calculational details of numerous results, partial forms of which have been published in brief Letters (Le Doussal and Radzihovsky, 1992; 1993). The experimental realization atom-thin graphene sheets (Novoselov et al., 2004) have driven a resurgence in this fascinating subject, making our dated predictions and their detailed derivations timely. To this end we analyze the statistical mechanics of a generalized D-dimensional elastic "membrane" embedded in d dimensions using a self-consistent screening approximation (SCSA), that has proved to be unprecedentedly accurate in this system, exact in three complementary limits: (i) d → ∞, (ii) D → 4, and (iii) D = d. Focusing on the critical "flat" phase, for a homogeneous two-dimensional (D = 2) membrane embedded in three dimensions (d = 3), we predict its universal roughness exponent ζ = 0 . 590, length-scale dependent elastic moduli exponents η = 0 . 821 and ηu = 0 . 358, and an anomalous Poisson ratio, σ = - 1 / 3. In the presence of random uncorrelated heterogeneity the membrane exhibits a glassy wrinkled ground state, characterized by ζ‧ = 0 . 775 ,η‧ = 0 . 449, ηu‧ = 1 . 101 and a Poisson ratio σ‧ = - 1 / 3. Motivated by a number of physical realizations (charged impurities, disclinations and dislocations) we also study power-law correlated quenched disorder that leads to a variety of distinct glassy wrinkled phases. Finally, neglecting self-avoiding interaction we demonstrate that at high temperature a "phantom" sheet undergoes a continuous crumpling transition, characterized by a radius of gyration exponent, ν = 0 . 732 and η = 0 . 535. Many of these universal predictions have received considerable support from simulations. We hope that this detailed presentation of the SCSA theory will be useful to further theoretical developments and corresponding experimental investigations on freely suspended graphene.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, B.; The Peac Institute of Multiscale Sciences, Chengdu, Sichuan 610207; Wang, L.

With large-scale molecular dynamics simulations, we investigate shock response of He nanobubbles in single crystal Cu. For sufficient bubble size or internal pressure, a prismatic dislocation loop may form around a bubble in unshocked Cu. The internal He pressure helps to stabilize the bubble against plastic deformation. However, the prismatic dislocation loops may partially heal but facilitate nucleation of new shear and prismatic dislocation loops. For strong shocks, the internal pressure also impedes internal jetting, while a bubble assists local melting; a high speed jet breaks a He bubble into pieces dispersed among Cu. Near-surface He bubbles may burst andmore » form high velocity ejecta containing atoms and small fragments, while the ejecta velocities do not follow the three-dimensional Maxwell-Boltzmann distributions expected for thermal equilibrium. The biggest fragment size deceases with increasing shock strength. With a decrease in ligament thickness or an increase in He bubble size, the critical shock strength required for bubble bursting decreases, while the velocity range, space extension and average velocity component along the shock direction, increase. Small bubbles are more efficient in mass ejecting. Compared to voids and perfect single crystal Cu, He bubbles have pronounced effects on shock response including bubble/void collapse, Hugoniot elastic limit (HEL), deformation mechanisms, and surface jetting. HEL is the highest for perfect single crystal Cu with the same orientations, followed by He bubbles without pre-existing prismatic dislocation loops, and then voids. Complete void collapse and shear dislocations occur for embedded voids, as opposed to partial collapse, and shear and possibly prismatic dislocations for He bubbles. He bubbles lower the threshhold shock strength for ejecta formation, and increase ejecta velocity and ejected mass.« less

Comment on ``Dynamic Peierls-Nabarro equations for elastically isotropic crystals''

NASA Astrophysics Data System (ADS)

Markenscoff, Xanthippi

2011-02-01

The paper by Pellegrini [Phys. Rev. BPRBMDO0031-899X10.1103/PhysRevB.81.024101 81, 024101 (2010)] introduces additional “distributional terms” to the displacement of the static field of a dislocation and claims that they are needed so that Weertman's equation for the steady-state motion of the Peierls-Nabarro dislocation be recovered. He also claims that the [Eshelby, Phys. Rev.PHRVAO0031-899X10.1103/PhysRev.90.248 90, 248 (1953)] solution for a moving screw is wrong, a statement with which I disagree. The same [Eshelby, Phys. Rev.PHRVAO0031-899X10.1103/PhysRev.90.248 90, 248 (1953)] solution is also obtained and used by the eminent dislocation scientists Al’shitz and Indenbom in Al’shitz [Sov. Phys. JETP 33, 1240 (1971)] that the author ignores. A key reference in the formulation of the problem as a 3D inclusion with eigenstrain is Willis [J. Mech. Phys. SolidsJMPSA80022-509610.1016/0022-5096(65)90038-4 13, 377 (1965)] who showed that, in the transient fields, the static Eshelby equivalence of dislocations to inclusions (with eigenstrain) does not hold, but only at long times when they tend to the static ones. In this Comment the author provides the fundamental physics of the behavior of a moving Volterra dislocation in nonuniform motion by showing how the singular fields near the moving core are obtained from “first principles” (without solving for the full fields). The limit to the steady-state motion of a Peierls-Nabarro dislocation is also shown how to be obtained from first principles from the Volterra one by taking the appropriate limit, without the need of the additional distributional terms that Pellegrini introduces.

Mechanism of underthrusting in southwest Japan: A model of convergent plate interactions

NASA Technical Reports Server (NTRS)

Fitch, T. J.; Scholz, C. H.

1971-01-01

An elastic rebound mechanism consistent with underthrusting at the time of the magnitude 8.2 Nankaido earthquake of 21 December, 1946 accounts for a reversal in sense between seismic and preseismic changes in elevation throughout a large portion of southwest Japan. It is shown that the seismic movements during the earthquake were generated by slip on a complex thrust fault that is inferred to intersect the surface near the base of the continental slope. The preseismic deformation is explained by strain accumulation equivalent to a virtual dislocation with the same orientation as the fault surface but a sense opposite to that of the real dislocation that occurred at the time of the earthquake. Adjustments by slip along the fault surface and extensions of that surface can account for postseismic movements.

Mesoscale modeling of vacancy-mediated Si segregation near an edge dislocation in Ni under irradiation

NASA Astrophysics Data System (ADS)

Li, Zebo; Trinkle, Dallas R.

2017-04-01

We use a continuum method informed by transport coefficients computed using self-consistent mean field theory to model vacancy-mediated diffusion of substitutional Si solutes in FCC Ni near an a/2 [1 1 ¯0 ] (111 ) edge dislocation. We perform two sequential simulations: first under equilibrium boundary conditions and then under irradiation. The strain field around the dislocation induces heterogeneity and anisotropy in the defect transport properties and determines the steady-state vacancy and Si distributions. At equilibrium both vacancies and Si solutes diffuse to form Cottrell atmospheres with vacancies accumulating in the compressive region above the dislocation core while Si segregates to the tensile region below the core. Irradiation raises the bulk vacancy concentration, driving vacancies to flow into the dislocation core. The out-of-equilibrium vacancy fluxes drag Si atoms towards the core, causing segregation to the compressive region, despite Si being an oversized solute in Ni.

Dislocation nucleation facilitated by atomic segregation

DOE PAGES

Zou, Lianfeng; Yang, Chaoming; Lei, Yinkai; ...

2017-11-27

Surface segregation—the enrichment of one element at the surface, relative to the bulk—is ubiquitous to multi-component materials. Using the example of a Cu–Au solid solution, we demonstrate that compositional variations induced by surface segregation are accompanied by misfit strain and the formation of dislocations in the subsurface region via a surface di˙usion and trapping process. The resulting chemically ordered surface regions acts as an e˙ective barrier that inhibits subsequent dislocation annihilation at free surfaces. Using dynamic, atomic-scale resolution electron microscopy observations and theory modelling, we show that the dislocations are highly active, and we delineate the specific atomic-scale mechanisms associatedmore » with their nucleation, glide, climb, and annihilation at elevated temperatures. As a result, these observations provide mechanistic detail of how dislocations nucleate and migrate at heterointerfaces in dissimilar-material systems.« less

Stair-rod dislocation cores acting as one-dimensional charge channels in GaAs nanowires

NASA Astrophysics Data System (ADS)

Bologna, Nicolas; Agrawal, Piyush; Campanini, Marco; Knödler, Moritz; Rossell, Marta D.; Erni, Rolf; Passerone, Daniele

2018-01-01

Aberration-corrected scanning transmission electron microscopy and density-functional theory calculations have been used to investigate the atomic and electronic structure of stair-rod dislocations connected via stacking faults in GaAs nanowires. At the apexes, two distinct dislocation cores consisting of single-column pairs of either gallium or arsenic were identified. Ab initio calculations reveal an overall reduction in the energy gap with the development of two bands of filled and empty localized states at the edges of valence and conduction bands in the Ga core and in the As core, respectively. Our results suggest the behavior of stair-rod dislocations along the nanowire as one-dimensional charge channels, which could host free carriers upon appropriate doping.

Effects of gap junction inhibition on contraction waves in the murine small intestine in relation to coupled oscillator theory.

PubMed

Parsons, Sean P; Huizinga, Jan D

2015-02-15

Waves of contraction in the small intestine correlate with slow waves generated by the myenteric network of interstitial cells of Cajal. Coupled oscillator theory has been used to explain steplike gradients in the frequency (frequency plateaux) of contraction waves along the length of the small intestine. Inhibition of gap junction coupling between oscillators should lead to predictable effects on these plateaux and the wave dislocation (wave drop) phenomena associated with their boundaries. It is these predictions that we wished to test. We used a novel multicamera diameter-mapping system to measure contraction along 25- to 30-cm lengths of murine small intestine. There were typically two to three plateaux per length of intestine. Dislocations could be limited to the wavefronts immediately about the terminated wave, giving the appearance of a three-pronged fork, i.e., a fork dislocation; additionally, localized decreases in velocity developed across a number of wavefronts, ending with the terminated wave, which could appear as a fork, i.e., slip dislocations. The gap junction inhibitor carbenoxolone increased the number of plateaux and dislocations and decreased contraction wave velocity. In some cases, the usual frequency gradient was reversed, with a plateau at a higher frequency than its proximal neighbor; thus fork dislocations were inverted, and the direction of propagation was reversed. Heptanol had no effect on the frequency or velocity of contractions but did reduce their amplitude. To understand intestinal motor patterns, the pacemaker network of the interstitial cells of Cajal is best evaluated as a system of coupled oscillators. Copyright © 2015 the American Physiological Society.

3D Imaging of a Dislocation Loop at the Onset of Plasticity in an Indented Nanocrystal.

PubMed

Dupraz, M; Beutier, G; Cornelius, T W; Parry, G; Ren, Z; Labat, S; Richard, M-I; Chahine, G A; Kovalenko, O; De Boissieu, M; Rabkin, E; Verdier, M; Thomas, O

2017-11-08

Structural quality and stability of nanocrystals are fundamental problems that bear important consequences for the performances of small-scale devices. Indeed, at the nanoscale, their functional properties are largely influenced by elastic strain and depend critically on the presence of crystal defects. It is thus of prime importance to be able to monitor, by noninvasive means, the stability of the microstructure of nano-objects against external stimuli such as mechanical load. Here we demonstrate the potential of Bragg coherent diffraction imaging for such measurements, by imaging in 3D the evolution of the microstructure of a nanocrystal exposed to in situ mechanical loading. Not only could we observe the evolution of the internal strain field after successive loadings, but we also evidenced a transient microstructure hosting a stable dislocation loop. The latter is fully characterized from its characteristic displacement field. The mechanical behavior of this small crystal is clearly at odds with what happens in bulk materials where many dislocations interact. Moreover, this original in situ experiment opens interesting possibilities for the investigation of plastic deformation at the nanoscale.

Misfit strain driven cation inter-diffusion across an epitaxial multiferroic thin film interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sankara Rama Krishnan, P. S.; Munroe, Paul; Nagarajan, V.

Cation intermixing at functional oxide interfaces remains a highly controversial area directly relevant to interface-driven nanoelectronic device properties. Here, we systematically explore the cation intermixing in epitaxial (001) oriented multiferroic bismuth ferrite (BFO) grown on a (001) lanthanum aluminate (LAO) substrate. Aberration corrected dedicated scanning transmission electron microscopy and electron energy loss spectroscopy reveal that the interface is not chemically sharp, but with an intermixing of ∼2 nm. The driving force for this process is identified as misfit-driven elastic strain. Landau-Ginzburg-Devonshire-based phenomenological theory was combined with the Sheldon and Shenoy formula in order to understand the influence of boundary conditions andmore » depolarizing fields arising from misfit strain between the LAO substrate and BFO film. The theory predicts the presence of a strong potential gradient at the interface, which decays on moving into the bulk of the film. This potential gradient is significant enough to drive the cation migration across the interface, thereby mitigating the misfit strain. Our results offer new insights on how chemical roughening at oxide interfaces can be effective in stabilizing the structural integrity of the interface without the need for misfit dislocations. These findings offer a general formalism for understanding cation intermixing at highly strained oxide interfaces that are used in nanoelectronic devices.« less

Gradient plasticity for thermo-mechanical processes in metals with length and time scales

NASA Astrophysics Data System (ADS)

Voyiadjis, George Z.; Faghihi, Danial

2013-03-01

A thermodynamically consistent framework is developed in order to characterize the mechanical and thermal behavior of metals in small volume and on the fast transient time. In this regard, an enhanced gradient plasticity theory is coupled with the application of a micromorphic approach to the temperature variable. A physically based yield function based on the concept of thermal activation energy and the dislocation interaction mechanisms including nonlinear hardening is taken into consideration in the derivation. The effect of the material microstructural interface between two materials is also incorporated in the formulation with both temperature and rate effects. In order to accurately address the strengthening and hardening mechanisms, the theory is developed based on the decomposition of the mechanical state variables into energetic and dissipative counterparts which endowed the constitutive equations to have both energetic and dissipative gradient length scales for the bulk material and the interface. Moreover, the microstructural interaction effect in the fast transient process is addressed by incorporating two time scales into the microscopic heat equation. The numerical example of thin film on elastic substrate or a single phase bicrystal under uniform tension is addressed here. The effects of individual counterparts of the framework on the thermal and mechanical responses are investigated. The model is also compared with experimental results.

Strain amplitude-dependent anelasticity in Cu-Ni solid solution due to thermally activated and athermal dislocation-point obstacle interactions

NASA Astrophysics Data System (ADS)

Kustov, S.; Gremaud, G.; Benoit, W.; Golyandin, S.; Sapozhnikov, K.; Nishino, Y.; Asano, S.

1999-02-01

Experimental investigations of the internal friction and the Young's modulus defect in single crystals of Cu-(1.3-7.6) at. % Ni have been performed for 7-300 K over a wide range of oscillatory strain amplitudes. Extensive data have been obtained at a frequency of vibrations around 100 kHz and compared with the results obtained for the same crystals at a frequency of ˜1 kHz. The strain amplitude dependence of the anelastic strain amplitude and the average friction stress acting on a dislocation due to solute atoms are also analyzed. Several stages in the strain amplitude dependence of the internal friction and the Young's modulus defect are revealed for all of the alloy compositions, at different temperatures and in different frequency ranges. For the 100 kHz frequency, low temperatures and low strain amplitudes (˜10-7-10-5), the amplitude-dependent internal friction and the Young's modulus defect are essentially temperature independent, and are ascribed to a purely hysteretic internal friction component. At higher strain amplitudes, a transition stage and a steep strain amplitude dependence of the internal friction and the Young's modulus defect are observed, followed by saturation at the highest strain amplitudes employed. These stages are temperature and frequency dependent and are assumed to be due to thermally activated motion of dislocations. We suggest that the observed regularities in the entire strain amplitude, temperature and frequency ranges correspond to a motion of dislocations in a two-component system of obstacles: weak but long-range ones, due to the elastic interaction of dislocations with solute atoms distributed in the bulk of the crystal; and strong short-range ones, due to the interaction of dislocations with solute atoms distributed close to dislocation glide planes. Based on these assumptions, a qualitative explanation is given for the variety of experimental observations.

Couple stress theory of curved rods. 2-D, high order, Timoshenko's and Euler-Bernoulli models

NASA Astrophysics Data System (ADS)

Zozulya, V. V.

2017-01-01

New models for plane curved rods based on linear couple stress theory of elasticity have been developed.2-D theory is developed from general 2-D equations of linear couple stress elasticity using a special curvilinear system of coordinates related to the middle line of the rod as well as special hypothesis based on assumptions that take into account the fact that the rod is thin. High order theory is based on the expansion of the equations of the theory of elasticity into Fourier series in terms of Legendre polynomials. First, stress and strain tensors, vectors of displacements and rotation along with body forces have been expanded into Fourier series in terms of Legendre polynomials with respect to a thickness coordinate.Thereby, all equations of elasticity including Hooke's law have been transformed to the corresponding equations for Fourier coefficients. Then, in the same way as in the theory of elasticity, a system of differential equations in terms of displacements and boundary conditions for Fourier coefficients have been obtained. Timoshenko's and Euler-Bernoulli theories are based on the classical hypothesis and the 2-D equations of linear couple stress theory of elasticity in a special curvilinear system. The obtained equations can be used to calculate stress-strain and to model thin walled structures in macro, micro and nano scales when taking into account couple stress and rotation effects.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kweon, Kyoung E.; Aberg, Daniel; Lordi, Vincenzo

The atomic and electronic structures of 60° glide perfect and 30°/90° glide partial dislocations in CdTe are studied using combined semi-empirical and density functional theory calculations. The calculations predict that the dislocation cores tend to undergo significant reconstructions along the dislocation lines from the singly-periodic (SP) structures, yielding either doubly-periodic (DP) ordering by forming a dimer or quadruply-periodic (QP) ordering by alternating a dimer and a missing dimer. Charge modulation along the dislocation line, accompanied by the QP reconstruction for the Cd-/Te-core 60° perfect and 30° partials or the DP reconstruction for the Cd-core 90° partial, results in semiconducting character,more » as opposed to the metallic character of the SP dislocation cores. Dislocation-induced defect states for the 60° Cd-/Te-core are located relatively close to the band edges, whereas the defect states lie in the middle of the band gap for the 30° Cd-/Te-core partial dislocations. In addition to the intracore charge modulation within each QP core, the possibility of intercore charge transfer between two different dislocation cores when they are paired together in the same system is discussed. As a result, the analysis of the electronic structures reveals the potential role of the dislocations on charge transport in CdTe, particularly in terms of charge trapping and recombination.« less

Possible origin of the discrepancy in Peierls stresses of fcc metals: First-principles simulations of dislocation mobility in aluminum

NASA Astrophysics Data System (ADS)

Shin, Ilgyou; Carter, Emily A.

2013-08-01

Dislocation motion governs the strength and ductility of metals, and the Peierls stress (σp) quantifies dislocation mobility. σp measurements carry substantial uncertainty in face-centered cubic (fcc) metals, and σp values can differ by up to two orders of magnitude. We perform first-principles simulations based on orbital-free density functional theory (OFDFT) to calculate the most accurate currently possible σp for the motion of (1)/(2)<110>111 dislocations in fcc Al. We predict the σps of screw and edge dislocations (dissociated in their equilibrium state) to be 1.9×10-4G and 4.9×10-5G, respectively (G is the shear modulus). These values fall within the range of measurements from mechanical deformation tests (10-4-10-5G). OFDFT also finds a new metastable structure for a screw dislocation not seen in earlier simulations, in which a dislocation core on the glide plane does not dissociate into partials. The corresponding σp for this undissociated dislocation is predicted to be 1.1×10-2G, which agrees with typical Bordoni peak measurements (10-2-10-3G). The calculated σps for dissociated and undissociated screw dislocations differ by two orders of magnitude. The presence of undissociated, as well as dissociated, screw dislocations may resolve the decades-long mystery in fcc metals regarding the two orders of magnitude discrepancy in σp measurements.

Relationship between dislocation and the visible luminescence band observed in ZnO epitaxial layers grown on c-plane p-GaN templates by chemical vapor deposition technique

NASA Astrophysics Data System (ADS)

Saroj, Rajendra K.; Dhar, S.

2016-08-01

ZnO epitaxial layers are grown on c-plane GaN (p-type)/sapphire substrates using a chemical vapor deposition technique. Structural and luminescence properties of these layers have been studied systematically as a function of various growth parameters. It has been found that high quality ZnO epitaxial layers can indeed be grown on GaN films at certain optimum conditions. It has also been observed that the growth temperature and growth time have distinctly different influences on the screw and edge dislocation densities. While the growth temperature affects the density of edge dislocations more strongly than that of screw dislocations, an increase of growth duration leads to a rapid drop in the density of screw dislocation, whereas the density of edge dislocation hardly changes. Densities of both edge and screw dislocations are found to be minimum at a growth temperature of 500 °C. Interestingly, the defect related visible luminescence intensity also shows a minimum at the same temperature. Our study indeed suggests that the luminescence feature is related to threading edge dislocation. A continuum percolation model, where the defects responsible for visible luminescence are considered to be formed under the influence of the strain field surrounding the threading edge dislocations, is proposed. The theory explains the observed variation of the visible luminescence intensity as a function of the concentration of the dislocations.

First-principles study of atomic and electronic structures of 60° perfect and 30°/90° partial glide dislocations in CdTe

DOE PAGES

Kweon, Kyoung E.; Aberg, Daniel; Lordi, Vincenzo

2016-05-16

The atomic and electronic structures of 60° glide perfect and 30°/90° glide partial dislocations in CdTe are studied using combined semi-empirical and density functional theory calculations. The calculations predict that the dislocation cores tend to undergo significant reconstructions along the dislocation lines from the singly-periodic (SP) structures, yielding either doubly-periodic (DP) ordering by forming a dimer or quadruply-periodic (QP) ordering by alternating a dimer and a missing dimer. Charge modulation along the dislocation line, accompanied by the QP reconstruction for the Cd-/Te-core 60° perfect and 30° partials or the DP reconstruction for the Cd-core 90° partial, results in semiconducting character,more » as opposed to the metallic character of the SP dislocation cores. Dislocation-induced defect states for the 60° Cd-/Te-core are located relatively close to the band edges, whereas the defect states lie in the middle of the band gap for the 30° Cd-/Te-core partial dislocations. In addition to the intracore charge modulation within each QP core, the possibility of intercore charge transfer between two different dislocation cores when they are paired together in the same system is discussed. As a result, the analysis of the electronic structures reveals the potential role of the dislocations on charge transport in CdTe, particularly in terms of charge trapping and recombination.« less

Structure-Property Relations in Aluminum-Lithium Alloys

DTIC Science & Technology

1989-01-01

adsorbed ( Mughrabi et al , 1983). Such dislocations could not re-enter the grain during the reverse cycle of stress and the associated slip would be...ASTM STP 601, ASTM, 33 Mughrabi , H., Wang, R., Differt, D., Essmann, U. (1983) ASTM STP 811, ASTM, 5 Muller, W. et al (1986) Aluminium-Lithium Alloys...behaviour of Al -Li-Cu-Mg-Zr alloys ...... 34 2.4 Mechanical behaviour ......................................... 35 2.4.1 Elastic modulus

Modeling Dislocations and Disclinations with Finite Micropolar Elastoplasticity

DTIC Science & Technology

2006-02-01

substructures on flow stress ( Mughrabi , 1983, 1988, 2001; Berveiller et al ., 1993; Zaiser, 1998). Meyers and co-workers (Meyers and Ashworth, 1982... al . / International Journal of Plasticity 22 (2006) 210–256 211order gradients of elastic or plastic parts of the total deformation gradient may alone...polycrystals (Hughes et al ., 1997, 2003; Kuhl- mann-Wilsdorf, 1999; Butler et al ., 2000; Barton and Dawson, 2001; Hughes, 2001; Leffers, 2001). Also measured

Variational Theory of Motion of Curved, Twisted and Extensible Elastic Rods

DTIC Science & Technology

1993-01-18

nonlinear theory such as questions of existence of solutions and global behavior have been carried out by Antman (1976). His basic work entitled "The...Aerosp. Ens. Q017/018 16 REFERENCES Antman , S.S., "Ordinary Differential Equations of Non-Linear ElastIcity 1: Foundatious of the Theories of Non-Linearly...Elutic rods and Shells," A.R.M.A. 61 (1976), 307-351. Antman , S.S., "The Theory of Rods", Handbuch der Physik, Vol. Vla/2, Springer-Verlq, Berlin

Fracture toughness of materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burns, S.J.

Crack tip dislocation emission in bulk specimens have been measured in single crystal specimens and the measurements are well below the accepted theoretical values for dislocation emission. The image forces on a dislocation due to the presence of a semi-infinite crack are used to calculate the potential energy of the dislocation around the crack. Expressions for the radial and tangential forces and for slip and climb forces have been found. Crack tip deformation in Mode I and Mode II fractures on both {l brace}100{r brace} and {l brace}110{r brace} planes have been observed in crystals of LiF. The deformation ismore » shown to nearly completely shield {l brace}110{r brace} plane cracks and prevent their propagation while deformation is less effective in shielding {l brace}100{r brace} plane cracks. The fracture toughness of MgO-partially-stabilized ZrO{sub 2} exhibiting transformation toughening been measured. The equations of linear elastic fracture mechanics have been self-consistantly formulated to include the residual displacement from the transformation wake. MgO single crystals were fatigued in plastic strain control at elevated temperatures. At high temperatures, dense bundles of dislocations were observed in transmission electron microscopy aligned perpendicular to the Burgers' vector directions. The thermodynamics of a superconducting second order phase transformation has been related to jumps in physical properties. A simple energy balance, without assuming an equation of state, is used to relate the rate of change of state variables to measurable physical properties. There are no preconceived assumptions about the superconducting mechanism.« less

Materials science in pre-plated leadframes for electronic packages

NASA Astrophysics Data System (ADS)

Liu, Lilin

Au/Pd/Ni pre-plated leadframes (PPF) are high performance frames for accommodating high-end electronic packages. Cost and reliability are major concerns in their wide application. The present work, from a materials science point view, deepens the understanding of PPFs, optimizes the conventional PPFs, develops a novel PPF architecture and models the residual stress relaxation in heteroepitaxial thin films. The wire pull test, the solderability test, and High-Resolution Transmission Electron Microscopy (HRTEM) were employed to characterize the PPFs in order to understand the relationship between performance and microstructure. We optimized the electroplating profiles and determined the minimum thickness of the Pd layer with the PPF performance satisfying the industry standards. Further increasing the Pd layer thickness beyond the critical thickness will not enhance the performance more, but increase the product cost. With the optimized electroplating profile, the electroplated Au layer is epitaxially deposited on the Pd layer, and so does the Pd layer on the Ni layer. Misfit dislocations and nanotwins are present at the interface between the Pd and Ni layers, which are generated to release the about 10.4% misfit strain between the Pd and Ni lattices. This work demonstrates that the electro-deposition technique can electroplate epitaxy-like Pd films on the highly (200) textured Ni films, which are grown on the Cu substrates. A novel technique for impeding Cu out-diffusion in Cu alloy based pre-plated leadframes was developed by electroplating a 3-4 nm thick Sn layer on a Cu alloy base prior to electroplating a Ni layer. A 10-14 nm thick epitaxy-like and dense (Cu,Ni)3Sn intermetallic compound (IMC) layer is automatically formed en route of diffuse reaction, which leads to a drastic reduction in Cu out-diffusion and hence improves significantly the protection of the leadframes against oxidation and corrosion attack. The oxidation behaviours were quantified by Electron Diffraction X-ray (EX) incorporated in Scanning Electron Microscopy (SEM) in the present work, which is a good complementary to the traditional weight gain test by a balance. A diffusion/oxidation model was developed to estimate the effective diffusion coefficient of Cu in the formed IMC nanolayers. The estimated Cu diffusion coefficient in the IMC interlayer is about 1.6x10 -22m2/s at 250°C, which is around 7~11 orders lower than the interdiffusion coefficients for eta- Cu6Sn5 and epsilon- Cu3Sn phases at corresponding temperatures. Based on the dislocation theory of twinning, analytical solutions by using the hybrid superposition and Fourier transformation approach were derived for the calculation of various energies involved in the misfit twinning process. For a given epilayer thickness and lattice mismatch strain, the twin formation energy should reach its minimum to determine the twin width and a zero minimum formation energy determines the critical thickness for misfit twinning. The effect of elastic mismatch between the epilayer and the substrate on the critical thickness was studied comprehensively, revealing that an elastically soft epilayer has a large critical thickness. Moreover, a misfit-twin-and-perfect-dislocation predominance chart is constructed to predict the predominant regions of misfit twinning and perfect dislocation in the mismatch strain and the specific twin boundary energy domain. Multiple misfit twins in epilayer/substrate systems were studied by summing up the stress and displacement fields of individual twins. In principle, the energy minimization approach can be applied to multiple misfit twins, although only periodic arrays of parallel and alternating twins were investigated here in detail. The equilibrium twin width and equilibrium twin spacing of a periodic array of twins represent the misfit twin morphology. The theoretical results indicate that the difference in elastic constants between an epilayer and its substrate has great effects on the morphology of equilibrium twins. The theoretical predictions agree with experimental observations.

The geometry of discombinations and its applications to semi-inverse problems in anelasticity

PubMed Central

Yavari, Arash; Goriely, Alain

2014-01-01

The geometrical formulation of continuum mechanics provides us with a powerful approach to understand and solve problems in anelasticity where an elastic deformation is combined with a non-elastic component arising from defects, thermal stresses, growth effects or other effects leading to residual stresses. The central idea is to assume that the material manifold, prescribing the reference configuration for a body, has an intrinsic, non-Euclidean, geometrical structure. Residual stresses then naturally arise when this configuration is mapped into Euclidean space. Here, we consider the problem of discombinations (a new term that we introduce in this paper), that is, a combined distribution of fields of dislocations, disclinations and point defects. Given a discombination, we compute the geometrical characteristics of the material manifold (curvature, torsion, non-metricity), its Cartan's moving frames and structural equations. This identification provides a powerful algorithm to solve semi-inverse problems with non-elastic components. As an example, we calculate the residual stress field of a cylindrically symmetric distribution of discombinations in an infinite circular cylindrical bar made of an incompressible hyperelastic isotropic elastic solid. PMID:25197257

Left Alone: End Time for Marxist Educational Theory?

ERIC Educational Resources Information Center

Rikowski, Glenn

1996-01-01

Discusses Marxist educational theory from the 1960s through the 1990s, analyzes its decline and degeneration, and looks at possible future directions. Explores five developments that have undercut the "old" educational Marxism: hyper-academicism; dislocations between theory and practice; the postmodern challenge; the liberal left challenge; and…

Thermodynamically consistent constitutive equations for nonisothermal large strain, elasto-plastic, creep behavior

NASA Technical Reports Server (NTRS)

Riff, R.; Carlson, R. L.; Simitses, G. J.

1985-01-01

The paper is concerned with the development of constitutive relations for large nonisothermal elastic-viscoplastic deformations for metals. The kinematics of elastic-plastic deformation, valid for finite strains and rotations, is presented. The resulting elastic-plastic uncoupled equations for the deformation rate combined with use of the incremental elasticity law permits a precise and purely deductive development of elastic-viscoplastic theory. It is shown that a phenomenological thermodynamic theory in which the elastic deformation and the temperature are state variables, including few internal variables, can be utilized to construct elastic-viscoplastic constitutive equations, which are appropriate for metals. The limiting case of inviscid plasticity is examined.

Solute atmospheres at dislocations

DOE PAGES

Hirth, John P.; Barnett, David M.; Hoagland, Richard G.

2017-06-01

In this study, a two-dimensional plane strain elastic solution is determined for the Cottrell solute atmosphere around an edge dislocation in an infinitely long cylinder of finite radius (the matrix), in which rows of solutes are represented by cylindrical rods with in-plane hydrostatic misfit (axial misfit is also considered). The periphery of the matrix is traction-free, thus introducing an image solute field which generates a solute-solute interaction energy that has not been considered previously. The relevant energy for the field of any distribution of solutes coexistent with a single edge dislocation along the (matrix) cylinder axis is determined, and coherencymore » effects are discussed and studied. Monte Carlo simulations accounting for all pertinent interactions over a range of temperatures are found to yield solute distributions different from classical results, namely, (1) Fermi-Dirac condensations at low temperatures at the free surface, (2) the majority of the atmosphere lying within an unexpectedly large non-linear interaction region near the dislocation core, and (3) temperature-dependent asymmetrical solute arrangements that promote bending. The solute distributions at intermediate temperatures show a 1/r dependence in agreement with previous linearized approximations. With a standard state of solute corresponding to a mean concentration, c 0, the relevant interaction energy expression presented in this work is valid when extended to large concentrations for which Henry's Law and Vegard's Law do not apply.« less

Solute atmospheres at dislocations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hirth, John P.; Barnett, David M.; Hoagland, Richard G.

In this study, a two-dimensional plane strain elastic solution is determined for the Cottrell solute atmosphere around an edge dislocation in an infinitely long cylinder of finite radius (the matrix), in which rows of solutes are represented by cylindrical rods with in-plane hydrostatic misfit (axial misfit is also considered). The periphery of the matrix is traction-free, thus introducing an image solute field which generates a solute-solute interaction energy that has not been considered previously. The relevant energy for the field of any distribution of solutes coexistent with a single edge dislocation along the (matrix) cylinder axis is determined, and coherencymore » effects are discussed and studied. Monte Carlo simulations accounting for all pertinent interactions over a range of temperatures are found to yield solute distributions different from classical results, namely, (1) Fermi-Dirac condensations at low temperatures at the free surface, (2) the majority of the atmosphere lying within an unexpectedly large non-linear interaction region near the dislocation core, and (3) temperature-dependent asymmetrical solute arrangements that promote bending. The solute distributions at intermediate temperatures show a 1/r dependence in agreement with previous linearized approximations. With a standard state of solute corresponding to a mean concentration, c 0, the relevant interaction energy expression presented in this work is valid when extended to large concentrations for which Henry's Law and Vegard's Law do not apply.« less

An experimental study of the elastic theory for granular flows

NASA Astrophysics Data System (ADS)

Guo, Tongtong; Campbell, Charles S.

2016-08-01

This paper reports annular shear cell measurements granular flows with an eye towards experimentally confirming the flow regimes laid out in the elastic theory of granular flow. Tests were carried out on four different kinds of plastic spherical particles under both constant volume flows and constant applied stress flows. In particular, observations were made of the new regime in that model, the elastic-inertial regime, and the predicted transitions between the elastic-inertial and both the elastic-quasistatic and pure inertial regimes.

Nonlocal theory of curved rods. 2-D, high order, Timoshenko's and Euler-Bernoulli models

NASA Astrophysics Data System (ADS)

Zozulya, V. V.

2017-09-01

New models for plane curved rods based on linear nonlocal theory of elasticity have been developed. The 2-D theory is developed from general 2-D equations of linear nonlocal elasticity using a special curvilinear system of coordinates related to the middle line of the rod along with special hypothesis based on assumptions that take into account the fact that the rod is thin. High order theory is based on the expansion of the equations of the theory of elasticity into Fourier series in terms of Legendre polynomials. First, stress and strain tensors, vectors of displacements and body forces have been expanded into Fourier series in terms of Legendre polynomials with respect to a thickness coordinate. Thereby, all equations of elasticity including nonlocal constitutive relations have been transformed to the corresponding equations for Fourier coefficients. Then, in the same way as in the theory of local elasticity, a system of differential equations in terms of displacements for Fourier coefficients has been obtained. First and second order approximations have been considered in detail. Timoshenko's and Euler-Bernoulli theories are based on the classical hypothesis and the 2-D equations of linear nonlocal theory of elasticity which are considered in a special curvilinear system of coordinates related to the middle line of the rod. The obtained equations can be used to calculate stress-strain and to model thin walled structures in micro- and nanoscales when taking into account size dependent and nonlocal effects.

Change in equilibrium position of misfit dislocations at the GaN/sapphire interface by Si-ion implantation into sapphire. II. Electron energy loss spectroscopic study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Sung Bo, E-mail: bolee@snu.ac.kr; Han, Heung Nam, E-mail: hnhan@snu.ac.kr; Kim, Young-Min

In Part I, we have shown that the addition of Si into sapphire by ion implantationmakes the sapphire substrate elastically softer than for the undoped sapphire. The more compliant layer of the Si-implanted sapphire substrate can absorb the misfit stress at the GaN/sapphire interface, which produces a lower threading-dislocation density in the GaN overlayer. Here in Part II, based on experimental results by electron energy loss spectroscopy and a first-principle molecular orbital calculation in the literature, we suggest that the softening effect of Si results from a reduction of ionic bonding strength in sapphire (α-Al{sub 2}O{sub 3}) with the substitutionmore » of Si for Al.« less

Atomistic simulation of shocks in single crystal and polycrystalline Ta

NASA Astrophysics Data System (ADS)

Bringa, E. M.; Higginbotham, A.; Park, N.; Tang, Y.; Suggit, M.; Mogni, G.; Ruestes, C. J.; Hawreliak, J.; Erhart, P.; Meyers, M. A.; Wark, J. S.

2011-06-01

Non-equilibrium molecular dynamics (MD) simulations of shocks in Ta single crystals and polycrystals were carried out using up to 360 million atoms. Several EAM and FS type potentials were tested up to 150 GPa, with varying success reproducing the Hugoniot and the behavior of elastic constants under pressure. Phonon modes were studied to exclude possible plasticity nucleation by soft-phonon modes, as observed in MD simulations of Cu crystals. The effect of loading rise time in the resulting microstructure was studied for ramps up to 0.2 ns long. Dislocation activity was not observed in single crystals, unless there were defects acting as dislocation sources above a certain pressure. E.M.B. was funded by CONICET, Agencia Nacional de Ciencia y Tecnología (PICT2008-1325), and a Royal Society International Joint Project award.

Phase-field crystal modeling of compositional domain formation in ultrathin films.

PubMed

Muralidharan, Srevatsan; Haataja, Mikko

2010-09-17

Bulk-immiscible binary systems often form stress-induced miscible alloy phases when deposited on a substrate. Both alloying and surface dislocation formation lead to the decrease of the elastic strain energy, and the competition between these two strain-relaxation mechanisms gives rise to the emergence of pseudomorphic compositional nanoscale domains, often coexisting with a partially coherent single phase. In this work, we develop a phase-field crystal model for compositional patterning in monolayer aggregates of binary metallic systems. We first demonstrate that the model naturally incorporates the competition between alloying and misfit dislocations, and quantify the effects of misfit and line tension on equilibrium domain size. Then, we quantitatively relate the parameters of the phase-field crystal model to a specific system, CoAg/Ru(0001), and demonstrate that the simulations capture experimentally observed morphologies.

Causes and Prevention of Structural Materials Failures in Naval Environments.

DTIC Science & Technology

1984-01-01

atomic hydrogen as the first step; (iii) creation of elastic-plastic zones near the crack tip region due to movement of dislocations under applied...sodium tellurate is added to the charging solution. There is a dramatic drop in hydrogen permeation current due to the reduction of the tellurate ...effect of tellurium which has been deposited. Thus it has been shown that the tellurate ion, an electron acceptor, can delay the production of hydrogen

Modeling the Temperature Rise at the Tip of a Fast Crack

DTIC Science & Technology

1989-08-01

plastic deformation in the plastic zone, the strain rate and the temperature dependence of the flow stress have been incorporated in the determination ...of dislocation generation in the plastic zone. The stress field 1 associated with a moving elastic crack tip is used to determine the increment of...yield stress and the crack tip stress field for a given mode of the applied stress. The fracture toughness of several materials, determined

Thermodynamically consistent relations involving plasticity, internal energy and thermal effects.

PubMed

Schreyer, H L; Maudlin, P J

2005-11-15

Experimental data associated with plastic deformations indicate that the temperature is less than that predicted from dissipation based on plastic work. To obtain reasonable correlation between theoretical and experimental results, the plastic work is often multiplied by a constant beta. This paper provides an alternative thermodynamic framework in which it is proposed that there is an additional internal energy associated with dislocation pile-up or increase in dislocation density. The form of this internal energy follows from experimental data that relates flow stress to dislocation density and to equivalent plastic strain. The result is that beta is not a constant but a derived function. Representative results for beta and temperature as functions of effective plastic strain are provided for both an uncoupled and a coupled thermoplastic theory. In addition to providing features that are believed to be representative of many metals, the formulation can be used as a basis for more advanced theories such as those needed for large deformations and general forms of internal energy.

Low energy dislocation structures in epitaxy

NASA Technical Reports Server (NTRS)

Van Der Merwe, Jan H.; Woltersdorf, J.; Jesser, W. A.

1986-01-01

The principle of minimum energy was applied to epitaxial interfaces to show the interrelationship beteen misfit, overgrowth thickness and misfit dislocation spacing. The low energy dislocation configurations were presented for selected interfacial geometries. A review of the interfacial energy calculations was made and a critical assessment of the agreement between theory and experiment was presented. Modes of misfit accommodation were presented with emphasis on the distinction between kinetic effects and equilibrium conditions. Two-dimensional and three-dimensional overgrowths were treated together with interdiffusion-modified interfaces, and several models of interfacial structure were treated including the classical and the current models. The paper is concluded by indicating areas of needed investigation into interfacial structure.

New intrinsic mechanism on gum-like superelasticity of multifunctional alloys

PubMed Central

Liu, Jia-Peng; Wang, Yan-Dong; Hao, Yu-Lin; Wang, Yunzhi; Nie, Zhi-Hua; Wang, Dong; Ren, Yang; Lu, Zhao-Ping; Wang, Jinguo; Wang, Haoliang; Hui, Xidong; Lu, Ning; Kim, Moon J.; Yang, Rui

2013-01-01

Ti-Nb-based Gum Metals exhibit extraordinary superelasticity with ultralow elastic modulus, superior strength and ductility, and a peculiar dislocation-free deformation behavior, most of which challenge existing theories of crystal strength. Additionally, this kind of alloys actually displays even more anomalous mechanical properties, such as the non-linear superelastic behavior, accompanied by a pronounced tension-to-compression asymmetry, and large ductility with a low Poisson's ratio. Two main contradictory arguments exist concerning the deformation mechanisms of those alloys, i.e., formation of reversible nanodisturbance and reversible martensitic transformation. Herein we used the in-situ synchrotron high-energy X-ray scattering technique to reveal the novel intrinsic physical origin of all anomalous mechanical properties of the Ti-24Nb-4Zr-8Sn-0.10O alloy, a typical gum-like metal. Our experiments provide direct evidence on two different kinds of interesting, stress-induced, reversible nanoscale martensitic transitions, i.e., the austenitic regions with B2 structure transform to α″ martensite and those with BCC structure transform to δ martensite. PMID:23831664

Fluid-controlled faulting process in the Asal Rift, Djibouti, from 8 yr of radar interferometry observations

NASA Astrophysics Data System (ADS)

Doubre, Cécile; Peltzer, Gilles

2007-01-01

The deformation in the Asal Rift (Djibouti) is characterized by magmatic inflation, diking, distributed extension, fissure opening, and normal faulting. An 8 yr time line of surface displacement maps covering the rift, constructed using radar interferometry data acquired by the Canadian satellite Radarsat between 1997 and 2005, reveals the aseismic behavior of faults and its relation with bursts of microseismicity. The observed ground movements show the asymmetric subsidence of the inner floor of the rift with respect to the bordering shoulders accommodated by slip on three of the main active faults. Fault slip occurs both as steady creep and during sudden slip events accompanied by an increase in the seismicity rate around the slipping fault and the Fieale volcanic center. Slip distribution along fault strike shows triangular sections, a pattern not explained by simple elastic dislocation theory. These observations suggest that the Asal Rift faults are in a critical failure state and respond instantly to small pressure changes in fluid-filled fractures connected to the faults, reducing the effective normal stress on their locked section at depth.

Asymptotic quantum inelastic generalized Lorenz Mie theory

NASA Astrophysics Data System (ADS)

Gouesbet, G.

2007-10-01

The (electromagnetic) generalized Lorenz-Mie theory describes the interaction between an electromagnetic arbitrary shaped beam and a homogeneous sphere. It is a generalization of the Lorenz-Mie theory which deals with the simpler case of a plane wave illumination. In a recent paper, we consider (i) elastic cross-sections in electromagnetic generalized Lorenz-Mie theory and (ii) elastic cross-sections in an associated quantum generalized Lorenz-Mie theory. We demonstrated that the electromagnetic problem is equivalent to a superposition of two effective quantum problems. We now intend to generalize this result from elastic cross-sections to inelastic cross-sections. A prerequisite is to build an asymptotic quantum inelastic generalized Lorenz-Mie theory, which is presented in this paper.

Impact of stress relaxation in GaAsSb cladding layers on quantum dot creation in InAs/GaAsSb structures grown on GaAs (001)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bremner, S. P.; Ban, K.-Y.; Faleev, N. N.

2013-09-14

We describe InAs quantum dot creation in InAs/GaAsSb barrier structures grown on GaAs (001) wafers by molecular beam epitaxy. The structures consist of 20-nm-thick GaAsSb barrier layers with Sb content of 8%, 13%, 15%, 16%, and 37% enclosing 2 monolayers of self-assembled InAs quantum dots. Transmission electron microscopy and X-ray diffraction results indicate the onset of relaxation of the GaAsSb layers at around 15% Sb content with intersected 60° dislocation semi-loops, and edge segments created within the volume of the epitaxial structures. 38% relaxation of initial elastic stress is seen for 37% Sb content, accompanied by the creation of amore » dense net of dislocations. The degradation of In surface migration by these dislocation trenches is so severe that quantum dot formation is completely suppressed. The results highlight the importance of understanding defect formation during stress relaxation for quantum dot structures particularly those with larger numbers of InAs quantum-dot layers, such as those proposed for realizing an intermediate band material.« less

Molecular dynamics simulations of thermally activated edge dislocation unpinning from voids in α -Fe

NASA Astrophysics Data System (ADS)

Byggmästar, J.; Granberg, F.; Nordlund, K.

2017-10-01

In this study, thermal unpinning of edge dislocations from voids in α -Fe is investigated by means of molecular dynamics simulations. The activation energy as a function of shear stress and temperature is systematically determined. Simulations with a constant applied stress are compared with dynamic simulations with a constant strain rate. We found that a constant applied stress results in a temperature-dependent activation energy. The temperature dependence is attributed to the elastic softening of iron. If the stress is normalized with the softening of the specific shear modulus, the activation energy is shown to be temperature-independent. From the dynamic simulations, the activation energy as a function of critical shear stress was determined using previously developed methods. The results from the dynamic simulations are in good agreement with the constant stress simulations, after the normalization. This indicates that the computationally more efficient dynamic method can be used to obtain the activation energy as a function of stress and temperature. The obtained relation between stress, temperature, and activation energy can be used to introduce a stochastic unpinning event in larger-scale simulation methods, such as discrete dislocation dynamics.

The elastic energy and character of quakes in solid stars and planets

NASA Technical Reports Server (NTRS)

Pines, D.; Shaham, J.

1972-01-01

The quadrupolar mechanical energy of a rotating axially symmetric solid planet (with or without a liquid interior) is calculated using methods previously developed for neutron stars in which an elastic reference tensor is introduced to describe the build-up of elastic energy in the star. The basic parameters of the theory (the gravitational energy A and elastic energy B) depend upon the internal structure of the planet and may be calculated from specific planetary models. Explicit expressions are obtained for the Love numbers, and for the planetary wobble frequency. The theory provides a simple relationship between changes in shape or axis of figure of the planet and elastic energy release. The theory is extended to describe the Earth by taking into account isostasy, triaxiality and the observed lithospheric configuration.

Non-basal dislocations should be accounted for in simulating ice mass flow

NASA Astrophysics Data System (ADS)

Chauve, T.; Montagnat, M.; Piazolo, S.; Journaux, B.; Wheeler, J.; Barou, F.; Mainprice, D.; Tommasi, A.

2017-09-01

Prediction of ice mass flow and associated dynamics is pivotal at a time of climate change. Ice flow is dominantly accommodated by the motion of crystal defects - the dislocations. In the specific case of ice, their observation is not always accessible by means of the classical tools such as X-ray diffraction or transmission electron microscopy (TEM). Part of the dislocation population, the geometrically necessary dislocations (GNDs) can nevertheless be constrained using crystal orientation measurements via electron backscattering diffraction (EBSD) associated with appropriate analyses based on the Nye (1950) approach. The present study uses the Weighted Burgers Vectors, a reduced formulation of the Nye theory that enables the characterization of GNDs. Applied to ice, this method documents, for the first time, the presence of dislocations with non-basal [ c ] or < c + a > Burgers vectors. These [ c ] or < c + a > dislocations represent up to 35% of the GNDs observed in laboratory-deformed ice samples. Our findings offer a more complex and comprehensive picture of the key plasticity processes responsible for polycrystalline ice creep and provide better constraints on the constitutive mechanical laws implemented in ice sheet flow models used to predict the response of Earth ice masses to climate change.

Crack Growth Behavior in the Threshold Region for High Cyclic Loading

NASA Technical Reports Server (NTRS)

Forman, R.; Figert, J.; Beek, J.; Ventura, J.; Martinez, J.; Samonski, F.

2011-01-01

The present studies show that fanning in the threshold regime is likely caused by other factors than a plastic wake developed during load shedding. The cause of fanning at low R-values is a result of localized roughness, mainly formation of a faceted crack surface morphology , plus crack bifurcations which alters the crack closure at low R-values. The crack growth behavior in the threshold regime involves both crack closure theory and the dislocation theory of metals. Research will continue in studying numerous other metal alloys and performing more extensive analysis, such as the variation in dislocation properties (e.g., stacking fault energy) and its effects in different materials.

Elasticity and anelasticity of microcrystalline aluminum samples having various deformation and thermal histories

NASA Astrophysics Data System (ADS)

Betekhtin, V. I.; Kadomtsev, A. G.; Kardashev, B. K.

2006-08-01

The effect of the amplitude of vibrational deformation on the elastic modulus and internal friction of microcrystalline aluminum samples produced by equal-channel angular pressing was studied. The samples have various deformation and thermal histories. The elastic and inelastic (microplastic) properties of the samples are investigated. As the degree of plastic deformation increases, the Young’s modulus E, the amplitude-independent decrement δi, and the microplastic flow stress σ increase. As the annealing temperature increases, the quantities δi and σ decrease noticeably and the modulus E exhibits a more complex behavior. The experimental data are discussed under the assumption that the dislocation mobility depends on both the spectrum of point defects and the internal stresses, whose level is determined by the degree of plastic deformation and the temperature of subsequent annealing. The concept of internal stresses is also used to analyze the data on the effect of the degree of deformation and annealing on the rupture strength of the samples.

Observation on the transformation domains of super-elastic NiTi shape memory alloy and their evolutions during cyclic loading

NASA Astrophysics Data System (ADS)

Xie, Xi; Kan, Qianhua; Kang, Guozheng; Li, Jian; Qiu, Bo; Yu, Chao

2016-04-01

The strain field of a super-elastic NiTi shape memory alloy (SMA) and its variation during uniaxial cyclic tension-unloading were observed by a non-contact digital image correlation method, and then the transformation domains and their evolutions were indirectly investigated and discussed. It is seen that the super-elastic NiTi (SMA) exhibits a remarkable localized deformation and the transformation domains evolve periodically with the repeated cyclic tension-unloading within the first several cycles. However, the evolutions of transformation domains at the stage of stable cyclic transformation depend on applied peak stress: when the peak stress is low, no obvious transformation band is observed and the strain field is nearly uniform; when the peak stress is large enough, obvious transformation bands occur due to the residual martensite caused by the prevention of enriched dislocations to the reverse transformation from induced martensite to austenite. Temperature variations measured by an infrared thermal imaging method further verifies the formation and evolution of transformation domains.

Strain relaxation in (0001) AlN/GaN heterostructures

NASA Astrophysics Data System (ADS)

Bourret, Alain; Adelmann, Christoph; Daudin, Bruno; Rouvière, Jean-Luc; Feuillet, Guy; Mula, Guido

2001-06-01

The strain-relaxation phenomena during the early stages of plasma-assisted molecular-beam epitaxy growth of lattice-mismatched wurtzite (0001) AlN/GaN heterostructures have been studied by real-time recording of the in situ reflection high-energy electron diffraction (RHEED), ex situ transmission electron microscopy (TEM), and atomic-force microscopy. A pseudo-two-dimensional layer-by-layer growth is observed at substrate temperatures of 640-660 °C, as evidenced by RHEED and TEM. However, the variation of the in-plane lattice parameter during growth and after growth has been found to be complex. Three steps have been seen during the deposition of lattice-mismatched AlN and GaN layers: they were interpreted as the succession of the formation of flat platelets, 3-6 monolayers high (0.8-1.5 nm) and 10-20 nm in diameter, their partial coalescence, and gradual dislocation introduction. Platelet formation leads to elastic relaxation as high as 1.8%, i.e., a considerable part of the AlN/GaN lattice mismatch of 2.4%, and can be reversible. Platelets are always observed during the initial stages of growth and are almost insensitive to the metal/N ratio. In contrast, platelet coalescence and dislocation introduction are very dependent on the metal/N ratio: no coalescence occurs and the dislocation introduction rate is higher under N-rich conditions. In all cases, the misfit dislocation density, as measured by the irreversible relaxation, is initially of the order of 7×1011 cm-2 and decreases exponentially with the layer thickness. These results are interpreted in the framework of a model that emphasizes the important role of the flat platelets for dislocation nucleation.

Experimental Observation of Two Features Unexpected from the Classical Theories of Rubber Elasticity

NASA Astrophysics Data System (ADS)

Nishi, Kengo; Fujii, Kenta; Chung, Ung-il; Shibayama, Mitsuhiro; Sakai, Takamasa

2017-12-01

Although the elastic modulus of a Gaussian chain network is thought to be successfully described by classical theories of rubber elasticity, such as the affine and phantom models, verification experiments are largely lacking owing to difficulties in precisely controlling of the network structure. We prepared well-defined model polymer networks experimentally, and measured the elastic modulus G for a broad range of polymer concentrations and connectivity probabilities, p . In our experiment, we observed two features that were distinct from those predicted by classical theories. First, we observed the critical behavior G ˜|p -pc|1.95 near the sol-gel transition. This scaling law is different from the prediction of classical theories, but can be explained by analogy between the electric conductivity of resistor networks and the elasticity of polymer networks. Here, pc is the sol-gel transition point. Furthermore, we found that the experimental G -p relations in the region above C* did not follow the affine or phantom theories. Instead, all the G /G0-p curves fell onto a single master curve when G was normalized by the elastic modulus at p =1 , G0. We show that the effective medium approximation for Gaussian chain networks explains this master curve.

Asymptotic quantum elastic generalized Lorenz Mie theory

NASA Astrophysics Data System (ADS)

Gouesbet, G.

2006-10-01

The (electromagnetic) generalized Lorenz-Mie theory describes the interaction between an electromagnetic arbitrary shaped beam and a homogeneous sphere. It is a generalization of the Lorenz-Mie theory which deals with the simpler case of a plane-wave illumination. In a recent paper, we established that, if we restrict ourselves to the study of cross-sections, both for elastic and inelastic scatterings, a macroscopic sphere in Lorenz-Mie theory is formally equivalent to a quantum-like radial potential. To generalize this result, a prerequisite is to possess an asymptotic quantum generalized Lorenz-Mie theory expressing cross-sections in the case of a quantum radial potential interacting with a sub-class of quantum arbitrary wave-packets. Such a theory, restricted however to elastic scattering, is presented in this paper.

The comparison of microstructures and mechanical properties between 14Cr-Al and 14Cr-Ti ferritic ODS alloys

DOE PAGES

Zhang, Guangming; Zhou, Zhangjian; Mo, Kun; ...

2016-03-03

In this study, two kinds of 14Cr ODS alloys (14Cr-Al and 14Cr-Ti) were investigated to reveal the different effects between Al and Ti on the microstructures and mechanical properties of 14Cr ferritic ODS alloys. The microstructure information such as grains, minor phases of these two alloys has been investigated by high-energy X-ray diffraction and transmission electron microscopy (TEM). The in situ synchrotron X-ray diffraction tensile test was applied to investigate the mechanical properties of these two alloys. The lattice strains of different phases through the entire tensile deformation process in these two alloys were analyzed to calculate their elastic stresses.more » From the comparison of elastic stress, the strengthening capability of Y 2Ti 2O 7 is better than TiN in 14Cr-Ti, and the strengthening capability of YAH is much better than YAM and AlN in 14Cr-Al ODS. The dislocation densities of 14Cr-Ti and 14Cr-Al ODS alloys during tensile deformation were also examined by modified Williamson-Hall analyses of peak broadening, respectively. In conclusion, the different increasing speed of dislocation density with plastic deformation reveals the better strengthening effect of Y-Ti-O particles in 14Cr-Ti ODS than that of Y-Al-O particles in 14Cr-Al ODS alloy.« less

Grain-size-yield stress relationship: Analysis and computation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meyers, M.A.; Benson, D.J.; Fu, H.H.

1999-07-01

The seminal contributions of Julia Weertman to the understanding of the mechanical properties of nanocrystalline materials will be briefly outlined. A constitutive equation predicting the effect of grain size on the yield stress of metals, based on the model proposed by M.A. Meyers and E. Ashworth, is discussed and extended to the nanocrystalline regime. At large grain sizes, it has the Hall-Petch form, and in the nanocrystalline domain the slope gradually decreases until it asymptotically approaches the flow stress of the grain boundaries. The material is envisaged as a composite, comprised of the grain interior, with flow stress {sigma}{sub fB},more » and grain boundary work-hardened layer, with flow stress {sigma}{sub fGB}. Three principal factors contribute to the grain-boundary hardening: (1) the grain boundaries act as barriers to plastic flow; (2) the grain boundaries act as dislocation sources; and (3) elastic anisotropy causes additional stresses in grain-boundary surroundings. The predictions of this model are compared with experimental measurements over the mono, micro, and nanocrystalline domains. Computational predictions are made of plastic flow as a function of grain size incorporating elastic and plastic anisotropy as well as differences of dislocation accumulation rate in grain boundary regions and grain interiors. This is the first plasticity calculation that accounts for grain size effects in a physically-based manner. 58 refs., 7 figs., 1 tab.« less

Dislocation models of interseismic deformation in the western United States

USGS Publications Warehouse

Pollitz, F.F.; McCrory, P.; Svarc, J.; Murray, J.

2008-01-01

The GPS-derived crustal velocity field of the western United States is used to construct dislocation models in a viscoelastic medium of interseismic crustal deformation. The interseismic velocity field is constrained by 1052 GPS velocity vectors spanning the ???2500-km-long plate boundary zone adjacent to the San Andreas fault and Cascadia subduction zone and extending ???1000 km into the plate interior. The GPS data set is compiled from U.S. Geological Survey campaign data, Plate Boundary Observatory data, and the Western U.S. Cordillera velocity field of Bennett et al. (1999). In the context of viscoelastic cycle models of postearthquake deformation, the interseismic velocity field is modeled with a combination of earthquake sources on ???100 known faults plus broadly distributed sources. Models that best explain the observed interseismic velocity field include the contributions of viscoelastic relaxation from faulting near the major plate margins, viscoelastic relaxation from distributed faulting in the plate interior, as well as lateral variations in depth-averaged rigidity in the elastic lithosphere. Resulting rigidity variations are consistent with reduced effective elastic plate thickness in a zone a few tens of kilometers wide surrounding the San Andreas fault (SAF) system. Primary deformation characteristics are captured along the entire SAF system, Eastern California Shear Zone, Walker Lane, the Mendocino triple junction, the Cascadia margin, and the plate interior up to ???1000 km from the major plate boundaries.

Temperature Dependence Of Elastic Constants Of Polymers

NASA Technical Reports Server (NTRS)

Simha, Robert; Papazoglou, Elisabeth

1989-01-01

Two papers extend theory of elastic constants of disordered solids to finite temperatures below glass-transition temperatures. First paper, entitled "Elastic Constants of Disordered Solids II: Temperature Dependence," applies to cryogenic temperatures. Second paper, entitled "Theory of Thermoelastic Properties for Polymer Glasses," develops unified treatment for static compressional and elongational properties at temperatures up to glass-transition temperatures.

Onset of Plasticity via Relaxation Analysis (OPRA)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pandey, Amit; Wheeler, Robert; Shyam, Amit

In crystalline metals and alloys, plasticity occurs due to the movement of mobile dislocations and the yield stress for engineering applications is traditionally quantified based on strain. The onset of irreversible plasticity or “yielding” is generally identified by a deviation from linearity in the stress-strain plot or by some standard convention such as 0.2 % offset strain relative to the “linear elastic response”. In the present work, we introduce a new methodology for the determination of the true yield point based on stress relaxation. We show experimentally that this determination is self-consistent in nature and, as such, provides an objectivemore » observation of the very onset of plastic flow. Lastly, our designation for yielding is no longer related to the shape of the stress-strain curve but instead reflects the earliest signature of the activation of concerted irreversible dislocation motion in a test specimen under increasing load.« less

Lattice-level observation of the elastic-to-plastic relaxation process with subnanosecond resolution in shock-compressed Ta using time-resolved in situ Laue diffraction

DOE PAGES

Wehrenberg, C. E.; Comley, A. J.; Barton, N. R.; ...

2015-09-29

We report direct lattice level measurements of plastic relaxation kinetics through time-resolved, in-situ Laue diffraction of shock-compressed single-crystal [001] Ta at pressures of 27-210 GPa. For a 50 GPa shock, a range of shear strains is observed extending up to the uniaxial limit for early data points (<0.6 ns) and the average shear strain relaxes to a near steady state over ~1 ns. For 80 and 125 GPa shocks, the measured shear strains are fully relaxed already at 200 ps, consistent with rapid relaxation associated with the predicted threshold for homogeneous nucleation of dislocations occurring at shock pressure ~65 GPa.more » The relaxation rate and shear stresses are used to estimate the dislocation density and these quantities are compared to the Livermore Multiscale Strength model as well as various molecular dynamics simulations.« less

Onset of Plasticity via Relaxation Analysis (OPRA)

DOE PAGES

Pandey, Amit; Wheeler, Robert; Shyam, Amit; ...

2016-03-17

In crystalline metals and alloys, plasticity occurs due to the movement of mobile dislocations and the yield stress for engineering applications is traditionally quantified based on strain. The onset of irreversible plasticity or “yielding” is generally identified by a deviation from linearity in the stress-strain plot or by some standard convention such as 0.2 % offset strain relative to the “linear elastic response”. In the present work, we introduce a new methodology for the determination of the true yield point based on stress relaxation. We show experimentally that this determination is self-consistent in nature and, as such, provides an objectivemore » observation of the very onset of plastic flow. Lastly, our designation for yielding is no longer related to the shape of the stress-strain curve but instead reflects the earliest signature of the activation of concerted irreversible dislocation motion in a test specimen under increasing load.« less

Dislocation-free strained silicon-on-silicon by in-place bonding

NASA Astrophysics Data System (ADS)

Cohen, G. M.; Mooney, P. M.; Paruchuri, V. K.; Hovel, H. J.

2005-06-01

In-place bonding is a technique where silicon-on-insulator (SOI) slabs are bonded by hydrophobic attraction to the underlying silicon substrate when the buried oxide is undercut in dilute HF. The bonding between the exposed surfaces of the SOI slab and the substrate propagates simultaneously with the buried oxide etching. As a result, the slabs maintain their registration and are referred to as "bonded in-place". We report the fabrication of dislocation-free strained silicon slabs from pseudomorphic trilayer Si/SiGe/SOI by in-place bonding. Removal of the buried oxide allows the compressively strained SiGe film to relax elastically and induce tensile strain in the top and bottom silicon films. The slabs remain bonded to the substrate by van der Waals forces when the wafer is dried. Subsequent annealing forms a covalent bond such that when the upper Si and the SiGe layer are removed, the bonded silicon slab remains strained.

The Microseismicity of Glacier Sliding

NASA Astrophysics Data System (ADS)

Walter, Fabian; Röösli, Claudia; Kissling, Edi

2017-04-01

Our understanding of glacier and ice sheet basal motion remains incomplete. The past decades have witnessed a shift away from initially proposed hard bed theories towards soft, till-laden beds, which deform and thus participate in basal motion. The theoretical treatment of deformable beds is subject to debate, yet our capability to predict ice sheet flow and ultimately sea level rise is contingent upon correct parameterization of basal motion (Ritz et al., 2015). Both hard and soft bed theories neglect frictional sliding across distinct basal fault planes and elastic deformation in response to sudden dislocation. Over recent years, this view has been repeatedly challenged as more and more studies report seismogenic faulting associated with basal sliding. For instance, large parts of the Whillans Ice Stream at Antarctica's Siple Coast move nearly exclusively during sudden sliding episodes (Wiens et al., 2008). This "stick-slip motion" is difficult to explain with traditional glacier sliding theories but more analogous to earthquake dislocation on tectonic faults. Although the Whillans Ice Stream motion may be an extreme example, there exists evidence for much smaller microseismic stick-slip events beneath the Greenland Ice Sheet and non-polar glaciers (Podolskiy and Walter, 2016). This raises the question how relevant and widespread the stick-slip phenomenon is and if it is necessary to include it into ice sheet models. Here we discuss recent seismic deployments, which focused on detection of stick-slip events beneath the Greenland Ice Sheet and European Alpine Glaciers. For all deployments, a considerable challenge lies in detection of stick-slip seismograms in the presence of a dominant background seismicity associated with surface crevassing. Nevertheless, automatic search algorithms and waveform characteristics provide important insights into temporal variation of stick-slip activity as well as information about fault plane geometry and co-seismic sliding direction. REFERENCES E.A. Podolskiy and F. Walter (2016). Cryo-seismology. Reviews of Geophysics. Ritz, C., Edwards, T. L., Durand, G., Payne, A. J., Peyaud, V., & Hindmarsh, R. C. (2015). Potential sea-level rise from Antarctic ice-sheet instability constrained by observations. Nature, 528(7580), 115-118. Wiens, D. A., Anandakrishnan, S., Winberry, J. P., & King, M. A. (2008). Simultaneous teleseismic and geodetic observations of the stick-slip motion of an Antarctic ice stream. Nature, 453(7196), 770-774.

Mammalian phospholipid homeostasis: evidence that membrane curvature elastic stress drives homeoviscous adaptation in vivo

PubMed Central

2016-01-01

Several theories of phospholipid homeostasis have postulated that cells regulate the molecular composition of their bilayer membranes, such that a common biophysical membrane parameter is under homeostatic control. Two commonly cited theories are the intrinsic curvature hypothesis, which states that cells control membrane curvature elastic stress, and the theory of homeoviscous adaptation, which postulates cells control acyl chain packing order (membrane order). In this paper, we present evidence from data-driven modelling studies that these two theories correlate in vivo. We estimate the curvature elastic stress of mammalian cells to be 4–7 × 10−12 N, a value high enough to suggest that in mammalian cells the preservation of membrane order arises through a mechanism where membrane curvature elastic stress is controlled. These results emerge from analysing the molecular contribution of individual phospholipids to both membrane order and curvature elastic stress in nearly 500 cellular compositionally diverse lipidomes. Our model suggests that the de novo synthesis of lipids is the dominant mechanism by which cells control curvature elastic stress and hence membrane order in vivo. These results also suggest that cells can increase membrane curvature elastic stress disproportionately to membrane order by incorporating polyunsaturated fatty acids into lipids. PMID:27534697

Mammalian phospholipid homeostasis: evidence that membrane curvature elastic stress drives homeoviscous adaptation in vivo.

PubMed

Dymond, Marcus K

2016-08-01

Several theories of phospholipid homeostasis have postulated that cells regulate the molecular composition of their bilayer membranes, such that a common biophysical membrane parameter is under homeostatic control. Two commonly cited theories are the intrinsic curvature hypothesis, which states that cells control membrane curvature elastic stress, and the theory of homeoviscous adaptation, which postulates cells control acyl chain packing order (membrane order). In this paper, we present evidence from data-driven modelling studies that these two theories correlate in vivo. We estimate the curvature elastic stress of mammalian cells to be 4-7 × 10(-12) N, a value high enough to suggest that in mammalian cells the preservation of membrane order arises through a mechanism where membrane curvature elastic stress is controlled. These results emerge from analysing the molecular contribution of individual phospholipids to both membrane order and curvature elastic stress in nearly 500 cellular compositionally diverse lipidomes. Our model suggests that the de novo synthesis of lipids is the dominant mechanism by which cells control curvature elastic stress and hence membrane order in vivo These results also suggest that cells can increase membrane curvature elastic stress disproportionately to membrane order by incorporating polyunsaturated fatty acids into lipids. © 2016 The Author(s).

Effects of Grain Size and Twin Layer Thickness on Crack Initiation at Twin Boundaries.

PubMed

Zhou, Piao; Zhou, Jianqiu; Zhu, Yongwei; Jiang, E; Wang, Zikun

2018-04-01

A theoretical model to explore the effect on crack initiation of nanotwinned materials was proposed based on the accumulation of dislocations at twin boundaries. First, a critical cracking initiation condition was established considering the number of dislocations pill-up at TBs, grain size and twin layer thickness, and a semi-quantitative relationship between the crystallographic orientation and the stacking fault energy was built. In addition, the number of dislocations pill-up was described by introducing the theory of strain gradient. Based on this model, the effects of grain size and twin lamellae thickness on dislocation density and crack initiation at twin boundaries were also discussed. The simulation results demonstrated that the crack initiation resistance can be improved by decreasing the grain size and increasing the twin lamellae, which keeps in agreement with recent experimental findings reported in the literature.

Gravitational potential as a source of earthquake energy

USGS Publications Warehouse

Barrows, L.; Langer, C.J.

1981-01-01

Some degree of tectonic stress within the earth originates from gravity acting upon density structures. The work performed by this "gravitational tectonics stress" must have formerly existed as gravitational potential energy contained in the stress-causing density structure. According to the elastic rebound theory (Reid, 1910), the energy of earthquakes comes from an elastic strain field built up by fairly continuous elastic deformation in the period between events. For earthquakes resulting from gravitational tectonic stress, the elastic rebound theory requires the transfer of energy from the gravitational potential of the density structures into an elastic strain field prior to the event. An alternate theory involves partial gravitational collapse of the stress-causing density structures. The earthquake energy comes directly from a net decrease in gravitational potential energy. The gravitational potential energy released at the time of the earthquake is split between the energy released by the earthquake, including work done in the fault zone and an increase in stored elastic strain energy. The stress associated with this elastic strain field should oppose further fault slip. ?? 1981.

Plastic deformation of tubular crystals by dislocation glide.

PubMed

Beller, Daniel A; Nelson, David R

2016-09-01

Tubular crystals, two-dimensional lattices wrapped into cylindrical topologies, arise in many contexts, including botany and biofilaments, and in physical systems such as carbon nanotubes. The geometrical principles of botanical phyllotaxis, describing the spiral packings on cylinders commonly found in nature, have found application in all these systems. Several recent studies have examined defects in tubular crystals associated with crystalline packings that must accommodate a fixed tube radius. Here we study the mechanics of tubular crystals with variable tube radius, with dislocations interposed between regions of different phyllotactic packings. Unbinding and separation of dislocation pairs with equal and opposite Burgers vectors allow the growth of one phyllotactic domain at the expense of another. In particular, glide separation of dislocations offers a low-energy mode for plastic deformations of solid tubes in response to external stresses, reconfiguring the lattice step by step. Through theory and simulation, we examine how the tube's radius and helicity affects, and is in turn altered by, the mechanics of dislocation glide. We also discuss how a sufficiently strong bending rigidity can alter or arrest the deformations of tubes with small radii.

Plastic deformation of tubular crystals by dislocation glide

NASA Astrophysics Data System (ADS)

Beller, Daniel A.; Nelson, David R.

2016-09-01

Tubular crystals, two-dimensional lattices wrapped into cylindrical topologies, arise in many contexts, including botany and biofilaments, and in physical systems such as carbon nanotubes. The geometrical principles of botanical phyllotaxis, describing the spiral packings on cylinders commonly found in nature, have found application in all these systems. Several recent studies have examined defects in tubular crystals associated with crystalline packings that must accommodate a fixed tube radius. Here we study the mechanics of tubular crystals with variable tube radius, with dislocations interposed between regions of different phyllotactic packings. Unbinding and separation of dislocation pairs with equal and opposite Burgers vectors allow the growth of one phyllotactic domain at the expense of another. In particular, glide separation of dislocations offers a low-energy mode for plastic deformations of solid tubes in response to external stresses, reconfiguring the lattice step by step. Through theory and simulation, we examine how the tube's radius and helicity affects, and is in turn altered by, the mechanics of dislocation glide. We also discuss how a sufficiently strong bending rigidity can alter or arrest the deformations of tubes with small radii.

Nonlinear acoustics and honeycomb materials

NASA Astrophysics Data System (ADS)

Thompson, D. O.

2012-05-01

The scope of research activity that Bruce Thompson embraced was very large. In this talk three different research topics that the author shared with Bruce are reviewed. They represent Bruce's introduction to NDE and include nonlinear acoustics, nondestructive measurements of adhesive bond strengths in honeycomb panels, and studies of flexural wave dispersion in honeycomb materials. In the first of these, four harmonics of a 30 Mhz finite amplitude wave were measured for both fused silica and aluminum single crystals with varying lengths and amounts of cold work using a capacity microphone with heterodyne receiver with a flat frequency response from 30 to 250 Mhz. The results for fused silica with no dislocation structure could be described by a model due to Fubini, originally developed for gases, that depends upon only the second and third order elastic constants and not the fourth and higher order constants. The same was not true for the aluminum with dislocation structures. These results raised some questions about models for harmonic generation in materials with dislocations. In the second topic, experiments were made to determine the adhesive bond strengths of honeycomb panels using the vibrational response of the panels (Chladni figures). The results showed that both the damping characteristics of panel vibrations as a whole and velocity of propagation of elastic waves that travel along the surface and sample the bondline can be correlated with destructively determined bond strengths. Finally, the phase velocity of flexural waves traveling along a 1-inch honeycomb sandwich panel was determined from 170 Hz to 50 Khz, ranging from 2.2×104 cm/sec at the low end to 1.18×105 cm/sec at 40 Khz. The dispersion arises from the finite thickness of the panel and agreed with the results of continuum models for the honeycomb. Above 40 Khz, this was not the case. The paper concludes with a tribute to Bruce for his many wonderful contributions and lessons beyond his technical legacy for all of us.

Spontaneous-curvature theory of clathrin-coated membranes.

PubMed Central

Mashl, R J; Bruinsma, R F

1998-01-01

Clathrin-coated membranes are precursors to coated vesicles in the receptor-mediated endocytic pathway. In this paper we present a physical model for the first steps of the transformation of a clathrin-coated membrane into a coated vesicle. The theory is based on in vitro cytoplasmic acidification experiments of Heuser (J. Cell Biol. 108:401-411) that suggest the transformation proceeds by changes in the chemical environment of the clathrin lattice, wherein the chemical environment determines the amount of intrinsic, or spontaneous, curvature of the network. We show that a necessary step of the transformation, formation of free pentagons in the clathrin network, can proceed via dislocation unbinding, driven by changes in the spontaneous curvature. Dislocation unbinding is shown to favor formation of coated vesicles that are quite small compared to those predicted by the current continuum theories, which do not include the topology of the clathrin lattice. PMID:9635740

Berni Alder and Phase Transitions in Two Dimensions

NASA Astrophysics Data System (ADS)

Kosterlitz, J. Michael

I do not know Berni Alder as a person, but I feel that I know him well through his seminal paper "Phase Transition in Elastic Disks𠇍 by B. J. Alder and T. E. Wainwright [1962], which was essential in motivating David Thouless and myself to think about phase transitions in two dimensional systems with a continuous symmetry. In the early 1970's, the conventional wisdom was that a crystalline solid could not exist in a two dimensional world because of the rigorous Mermin-Wagner theorem prohibiting true long range translational order at any non-zero temperature. This contradiction was settled by the theory of dislocation mediated melting to an intermediate hexatic phase followed by a second transition to the isotropic fluid at a higher temperature. This scenario, with its associated sophisticated theory, seemed to settle the controversy of two dimensional melting once and for all. However, in our elation at understanding the fundamental physics and the essential excitations of melting in 2D, we had all forgotten that the early work of Berni Alder also showed that this melting involved a weak first order transition while theory now predicted melting by two successive continuous transitions with no discontinuity in area at the critical pressure. This discrepancy could be hand waved away by arguing that Berni's system was far too small and his computers far too slow so that the areal discontinuity could be due to finite size effects or to failing to equilibrate the system. Experiments were not able to resolve the order of the transitions, but seemed to agree quantitatively with theory…

In situ straining investigation of slip transfer across α2 lamellae at room temperature in a lamellar TiAl alloy

NASA Astrophysics Data System (ADS)

Singh, J. B.; Molénat, G.; Sundararaman, M.; Banerjee, S.; Saada, G.; Veyssière, P.; Couret, A.

2006-01-01

Processes by which deformation spreads throughout a lamellar TiAl alloy have been investigated by in situ tensile experiments performed at room temperature in a transmission electron microscope. Several situations are found and analysed in which dislocations cross the ?/a2 interfaces and the a2 lamellae - the hard phase of the structure. Conditions by which strain transfer can be elastically mediated across sufficiently thin a2 lamellae are discussed.

Geometric charges in theories of elasticity and plasticity

NASA Astrophysics Data System (ADS)

Moshe, Michael

The mechanics of many natural systems is governed by localized sources of stresses. Examples include ''plastic events'' that occur in amorphous solids under external stress, defects formation in crystalline material, and force-dipoles applied by cells adhered to an elastic substrate. Recent developments in a geometric formulation of elasticity theory paved the way for a unifying mathematical description of such singular sources of stress, as ''elastic charges''. In this talk I will review basic results in this emerging field, focusing on the geometry and mechanics of elastic charges in two-dimensional solid bodies. I will demonstrate the applicability of this new approach in three different problems: failure of an amorphous solid under load, mechanics of Kirigami, and wrinkle patterns in geometrically-incompatible elastic sheets.

On the application of the partition of unity method for nonlocal response of low-dimensional structures

NASA Astrophysics Data System (ADS)

Natarajan, Sundararajan

2014-12-01

The main objectives of the paper are to (1) present an overview of nonlocal integral elasticity and Aifantis gradient elasticity theory and (2) discuss the application of partition of unity methods to study the response of low-dimensional structures. We present different choices of approximation functions for gradient elasticity, namely Lagrange intepolants, moving least-squares approximants and non-uniform rational B-splines. Next, we employ these approximation functions to study the response of nanobeams based on Euler-Bernoulli and Timoshenko theories as well as to study nanoplates based on first-order shear deformation theory. The response of nanobeams and nanoplates is studied using Eringen's nonlocal elasticity theory. The influence of the nonlocal parameter, the beam and the plate aspect ratio and the boundary conditions on the global response is numerically studied. The influence of a crack on the axial vibration and buckling characteristics of nanobeams is also numerically studied.

Dual gauge field theory of quantum liquid crystals in two dimensions

NASA Astrophysics Data System (ADS)

Beekman, Aron J.; Nissinen, Jaakko; Wu, Kai; Liu, Ke; Slager, Robert-Jan; Nussinov, Zohar; Cvetkovic, Vladimir; Zaanen, Jan

2017-04-01

We present a self-contained review of the theory of dislocation-mediated quantum melting at zero temperature in two spatial dimensions. The theory describes the liquid-crystalline phases with spatial symmetries in between a quantum crystalline solid and an isotropic superfluid: quantum nematics and smectics. It is based on an Abelian-Higgs-type duality mapping of phonons onto gauge bosons (;stress photons;), which encode for the capacity of the crystal to propagate stresses. Dislocations and disclinations, the topological defects of the crystal, are sources for the gauge fields and the melting of the crystal can be understood as the proliferation (condensation) of these defects, giving rise to the Anderson-Higgs mechanism on the dual side. For the liquid crystal phases, the shear sector of the gauge bosons becomes massive signaling that shear rigidity is lost. After providing the necessary background knowledge, including the order parameter theory of two-dimensional quantum liquid crystals and the dual theory of stress gauge bosons in bosonic crystals, the theory of melting is developed step-by-step via the disorder theory of dislocation-mediated melting. Resting on symmetry principles, we derive the phenomenological imaginary time actions of quantum nematics and smectics and analyze the full spectrum of collective modes. The quantum nematic is a superfluid having a true rotational Goldstone mode due to rotational symmetry breaking, and the origin of this 'deconfined' mode is traced back to the crystalline phase. The two-dimensional quantum smectic turns out to be a dizzyingly anisotropic phase with the collective modes interpolating between the solid and nematic in a non-trivial way. We also consider electrically charged bosonic crystals and liquid crystals, and carefully analyze the electromagnetic response of the quantum liquid crystal phases. In particular, the quantum nematic is a real superconductor and shows the Meissner effect. Their special properties inherited from spatial symmetry breaking show up mostly at finite momentum, and should be accessible by momentum-sensitive spectroscopy.

Dual gauge field theory of quantum liquid crystals in two dimensions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beekman, Aron J.; Nissinen, Jaakko; Wu, Kai

We present a self-contained review of the theory of dislocation-mediated quantum melting at zero temperature in two spatial dimensions. The theory describes the liquid-crystalline phases with spatial symmetries in between a quantum crystalline solid and an isotropic superfluid: quantum nematics and smectics. It is based on an Abelian-Higgs-type duality mapping of phonons onto gauge bosons (“stress photons”), which encode for the capacity of the crystal to propagate stresses. Dislocations and disclinations, the topological defects of the crystal, are sources for the gauge fields and the melting of the crystal can be understood as the proliferation (condensation) of these defects, givingmore » rise to the Anderson–Higgs mechanism on the dual side. For the liquid crystal phases, the shear sector of the gauge bosons becomes massive signaling that shear rigidity is lost. After providing the necessary background knowledge, including the order parameter theory of two-dimensional quantum liquid crystals and the dual theory of stress gauge bosons in bosonic crystals, the theory of melting is developed step-by-step via the disorder theory of dislocation-mediated melting. Resting on symmetry principles, we derive the phenomenological imaginary time actions of quantum nematics and smectics and analyze the full spectrum of collective modes. The quantum nematic is a superfluid having a true rotational Goldstone mode due to rotational symmetry breaking, and the origin of this ‘deconfined’ mode is traced back to the crystalline phase. The two-dimensional quantum smectic turns out to be a dizzyingly anisotropic phase with the collective modes interpolating between the solid and nematic in a non-trivial way. We also consider electrically charged bosonic crystals and liquid crystals, and carefully analyze the electromagnetic response of the quantum liquid crystal phases. In particular, the quantum nematic is a real superconductor and shows the Meissner effect. Furthermore, their special properties inherited from spatial symmetry breaking show up mostly at finite momentum, and should be accessible by momentum-sensitive spectroscopy.« less

Dual gauge field theory of quantum liquid crystals in two dimensions

DOE PAGES

Beekman, Aron J.; Nissinen, Jaakko; Wu, Kai; ...

2017-04-18

We present a self-contained review of the theory of dislocation-mediated quantum melting at zero temperature in two spatial dimensions. The theory describes the liquid-crystalline phases with spatial symmetries in between a quantum crystalline solid and an isotropic superfluid: quantum nematics and smectics. It is based on an Abelian-Higgs-type duality mapping of phonons onto gauge bosons (“stress photons”), which encode for the capacity of the crystal to propagate stresses. Dislocations and disclinations, the topological defects of the crystal, are sources for the gauge fields and the melting of the crystal can be understood as the proliferation (condensation) of these defects, givingmore » rise to the Anderson–Higgs mechanism on the dual side. For the liquid crystal phases, the shear sector of the gauge bosons becomes massive signaling that shear rigidity is lost. After providing the necessary background knowledge, including the order parameter theory of two-dimensional quantum liquid crystals and the dual theory of stress gauge bosons in bosonic crystals, the theory of melting is developed step-by-step via the disorder theory of dislocation-mediated melting. Resting on symmetry principles, we derive the phenomenological imaginary time actions of quantum nematics and smectics and analyze the full spectrum of collective modes. The quantum nematic is a superfluid having a true rotational Goldstone mode due to rotational symmetry breaking, and the origin of this ‘deconfined’ mode is traced back to the crystalline phase. The two-dimensional quantum smectic turns out to be a dizzyingly anisotropic phase with the collective modes interpolating between the solid and nematic in a non-trivial way. We also consider electrically charged bosonic crystals and liquid crystals, and carefully analyze the electromagnetic response of the quantum liquid crystal phases. In particular, the quantum nematic is a real superconductor and shows the Meissner effect. Furthermore, their special properties inherited from spatial symmetry breaking show up mostly at finite momentum, and should be accessible by momentum-sensitive spectroscopy.« less

Pressure wave propagation in fluid-filled co-axial elastic tubes. Part 1: Basic theory.

PubMed

Berkouk, K; Carpenter, P W; Lucey, A D

2003-12-01

Our work is motivated by ideas about the pathogenesis of syringomyelia. This is a serious disease characterized by the appearance of longitudinal cavities within the spinal cord. Its causes are unknown, but pressure propagation is probably implicated. We have developed an inviscid theory for the propagation of pressure waves in co-axial, fluid-filled, elastic tubes. This is intended as a simple model of the intraspinal cerebrospinal-fluid system. Our approach is based on the classic theory for the propagation of longitudinal waves in single, fluid-filled, elastic tubes. We show that for small-amplitude waves the governing equations reduce to the classic wave equation. The wave speed is found to be a strong function of the ratio of the tubes' cross-sectional areas. It is found that the leading edge of a transmural pressure pulse tends to generate compressive waves with converging wave fronts. Consequently, the leading edge of the pressure pulse steepens to form a shock-like elastic jump. A weakly nonlinear theory is developed for such an elastic jump.

Molecular Dynamics Simulation Studies of Fracture in Two Dimensions

DTIC Science & Technology

1980-05-01

reversibility of trajectories. The microscopic elastic constants, dispersion relation and phonon spectrum of the system were determined by lattice dynamics. These... linear elasticity theory of a two-dimensional crack embedded in an infinite medium. System con- sists of 436 particles arranged in a tri- angular lattice ...satisfying these demands. In evaluating the mechanical energy of his model, Griffith used a result from linear elasticity theory, namely that for any body

Elastic Moduli of Pyrolytic Boron Nitride Measured Using 3-Point Bending and Ultrasonic Testing

NASA Technical Reports Server (NTRS)

Kaforey, M. L.; Deeb, C. W.; Matthiesen, D. H.; Roth, D. J.

1999-01-01

Three-point bending and ultrasonic testing were performed on a flat plate of PBN. In the bending experiment, the deformation mechanism was believed to be shear between the pyrolytic layers, which yielded a shear modulus, c (sub 44), of 2.60 plus or minus .31 GPa. Calculations based on the longitudinal and shear wave velocity measurements yielded values of 0.341 plus or minus 0.006 for Poisson's ratio, 10.34 plus or minus .30 GPa for the elastic modulus (c (sub 33)), and 3.85 plus or minus 0.02 GPa for the shear modulus (c (sub 44)). Since free basal dislocations have been reported to affect the value of c (sub 44) found using ultrasonic methods, the value from the bending experiment was assumed to be the more accurate value.

Band-Like Behavior of Localized States of Metal Silicide Precipitate in Silicon

NASA Astrophysics Data System (ADS)

Bondarenko, Anton; Vyvenko, Oleg

2018-03-01

Deep-level transient spectroscopy (DLTS) investigations of energy levels of charge-carrier traps associated with precipitates of metal silicide often show that they behave not like localized monoenergetic traps but as a continuous density of allowed states in the bandgap with fast carrier exchange between these states, so-called band-like behavior. This kind of behavior was ascribed to the dislocation loop bounding the platelet, which in addition exhibits an attractive potential caused by long-range elastic strain. In previous works, the presence of the dislocation-related deformation potential in combination with the external electric field of the Schottky diode was included to obtain a reasonable fit of the proposed model to experimental data. Another well-known particular property of extended defects—the presence of their own strong electric field in their vicinity that is manifested in the logarithmic kinetics of electron capture—was not taken into account. We derive herein a theoretical model that takes into account both the external electric field and the intrinsic electric field of dislocation self-charge as well as its deformation potential, which leads to strong temporal variation of the activation energy during charge-carrier emission. We performed numerical simulations of the DLTS spectra based on such a model for a monoenergetic trap, finding excellent agreement with available experimental data.

Dislocation Onset and Glide in Carbon Nanotubes under Torsion

NASA Astrophysics Data System (ADS)

Dumitrica, Traian; Zhang, Dong-Bo; James, Richard

2009-03-01

The torsional plastic response of carbon nanotubes is comprehensively described in the objective molecular dynamics framework [1-3]. It is shown that an (n,m) tube is prone to slip along a nearly-axial helical path, which introduces a distinct (+1,-1) change in the wrapping index. The low energy realization occurs without loss of mass, via nucleation of a 5-7-7-5 dislocation dipole, followed by a nearly-axial glide of the 5-7 dislocation. The onset of plasticity depends not only on chirality but also on handedness. For a given handedness of the applied twist, chiral tubes of opposed handedness are most susceptible to yield. A right-handed applied twist on an armchair (zig-zag) tube leads to a right- (left-) handed tube. [4pt] [1] T. Dumitrica and R.D. James, Objective Molecular Dynamics, Journal of the Mechanics and Physics of Solids 55, 2206 (2007). [0pt] [2] D.-B. Zhang, M. Hua, and T. Dumitrica, Stability of Polycrystalline and Wurtzite Si Nanowires via Symmetry-Adapted Tight-Binding Objective Molecular Dynamics, Journal of Chemical Physics 128, 084104 (2008). [0pt] [3] D.-B. Zhang and T. Dumitrica, Elasticity of Ideal Single-Walled Carbon Nanotubes via Symmetry-Adapted Tight-Binding Objective Modeling, Applied Physics Letters 93, 031919 (2008).

Localizing softness and stress along loops in 3D topological metamaterials

NASA Astrophysics Data System (ADS)

Baardink, Guido; Souslov, Anton; Paulose, Jayson; Vitelli, Vincenzo

2018-01-01

Topological states can be used to control the mechanical properties of a material along an edge or around a localized defect. The rigidity of elastic networks is characterized by a topological invariant called the polarization; materials with a well-defined uniform polarization display a dramatic range of edge softness depending on the orientation of the polarization relative to the terminating surface. However, in all 3D mechanical metamaterials proposed to date, the topological modes are mixed with bulk soft modes, which organize themselves in Weyl loops. Here, we report the design of a 3D topological metamaterial without Weyl lines and with a uniform polarization that leads to an asymmetry between the number of soft modes on opposing surfaces. We then use this construction to localize topological soft modes in interior regions of the material by including defect lines—dislocation loops—that are unique to three dimensions. We derive a general formula that relates the difference in the number of soft modes and states of self-stress localized along the dislocation loop to the handedness of the vector triad formed by the lattice polarization, Burgers vector, and dislocation-line direction. Our findings suggest a strategy for preprogramming failure and softness localized along lines in 3D, while avoiding extended soft Weyl modes.

Micropolar curved rods. 2-D, high order, Timoshenko's and Euler-Bernoulli models

NASA Astrophysics Data System (ADS)

Zozulya, V. V.

2017-01-01

New models for micropolar plane curved rods have been developed. 2-D theory is developed from general 2-D equations of linear micropolar elasticity using a special curvilinear system of coordinates related to the middle line of the rod and special hypothesis based on assumptions that take into account the fact that the rod is thin.High order theory is based on the expansion of the equations of the theory of elasticity into Fourier series in terms of Legendre polynomials. First stress and strain tensors,vectors of displacements and rotation and body force shave been expanded into Fourier series in terms of Legendre polynomials with respect to a thickness coordinate.Thereby all equations of elasticity including Hooke's law have been transformed to the corresponding equations for Fourier coefficients. Then in the same way as in the theory of elasticity, system of differential equations in term of displacements and boundary conditions for Fourier coefficients have been obtained. The Timoshenko's and Euler-Bernoulli theories are based on the classical hypothesis and 2-D equations of linear micropolar elasticity in a special curvilinear system. The obtained equations can be used to calculate stress-strain and to model thin walled structures in macro, micro and nano scale when taking in to account micropolar couple stress and rotation effects.

Deformed Materials: Towards a Theory of Materials Morphology Dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sethna, James P

This grant supported work on the response of crystals to external stress. Our primary work described how disordered structural materials break in two (statistical models of fracture in disordered materials), studied models of deformation bursts (avalanches) that mediate deformation on the microscale, and developed continuum dislocation dynamics models for plastic deformation (as when scooping ice cream bends a spoon, Fig. 9). Glass is brittle -- it breaks with almost atomically smooth fracture surfaces. Many metals are ductile -- when they break, the fracture surface is locally sheared and stretched, and it is this damage that makes them hard to break.more » Bone and seashells are made of brittle material, but they are strong because they are disordered -- lots of little cracks form as they are sheared and near the fracture surface, diluting the external force. We have studied materials like bone and seashells using simulations, mathematical tools, and statistical mechanics models from physics. In particular, we studied the extreme values of fracture strengths (how likely will a beam in a bridge break far below its design strength), and found that the traditional engineering tools could be improved greatly. We also studied fascinating crackling-noise precursors -- systems which formed microcracks of a broad range of sizes before they broke. Ductile metals under stress undergo irreversible plastic deformation -- the planes of atoms must slide across one another (through the motion of dislocations) to change the overall shape in response to the external force. Microscopically, the dislocations in crystals move in bursts of a broad range of sizes (termed 'avalanches' in the statistical mechanics community, whose motion is deemed 'crackling noise'). In this grant period, we resolved a longstanding mystery about the average shape of avalanches of fixed duration (using tools related to an emergent scale invariance), we developed the fundamental theory describing the shapes of avalanches and how they are affected by the edges of the microscope viewing window, we found that slow creep of dislocations can trigger an oscillating response explaining recent experiments, we explained avalanches under external voltage, and we have studied how avalanches in experiments on the microscale relate to deformation of large samples. Inside the crystals forming the metal, the dislocations arrange into mysterious cellular structures, usually ignored in theories of plasticity. Writing a natural continuum theory for dislocation dynamics, we found that it spontaneously formed walls -- much like models of traffic jams and sonic booms. These walls formed rather realistic cellular structures, which we examined in great detail -- our walls formed fractal structures with fascinating scaling properties, related to those found in turbulent fluids. We found, however, that the numerical and mathematical tools available to solve our equations were not flexible enough to incorporate materials-specific information, and our models did not show the dislocation avalanches seen experimentally. In the last year of this grant, we wrote an invited review article, explaining how plastic flow in metals shares features with other stressed materials, and how tools of statistical physics used in these other systems might be crucial for understanding plasticity.« less

Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface

PubMed Central

Sun, Ce; Paulauskas, Tadas; Sen, Fatih G.; Lian, Guoda; Wang, Jinguo; Buurma, Christopher; Chan, Maria K. Y.; Klie, Robert F.; Kim, Moon J.

2016-01-01

Extended defects are of considerable importance in determining the electronic properties of semiconductors, especially in photovoltaics (PVs), due to their effects on electron-hole recombination. We employ model systems to study the effects of dislocations in CdTe by constructing grain boundaries using wafer bonding. Atomic-resolution scanning transmission electron microscopy (STEM) of a [1–10]/(110) 4.8° tilt grain boundary reveals that the interface is composed of three distinct types of Lomer dislocations. Geometrical phase analysis is used to map strain fields, while STEM and density functional theory (DFT) modeling determine the atomic structure at the interface. The electronic structure of the dislocation cores calculated using DFT shows significant mid-gap states and different charge-channeling tendencies. Cl-doping is shown to reduce the midgap states, while maintaining the charge separation effects. This report offers novel avenues for exploring grain boundary effects in CdTe-based solar cells by fabricating controlled bicrystal interfaces and systematic atomic-scale analysis. PMID:27255415

A nonlinear theory for elastic plates with application to characterizing paper properties

Treesearch

M. W. Johnson; Thomas J. Urbanik

1984-03-01

A theory of thin plates which is physically as well as kinematically nonlinear is, developed and used to characterize elastic material behavior for arbitrary stretching and bending deformations. It is developed from a few clearly defined assumptions and uses a unique treatment of strain energy. An effective strain concept is introduced to simplify the theory to a...

On the residual yield stress of shocked metals

NASA Astrophysics Data System (ADS)

Chapman, David J.; Eakins, Daniel E.; Proud, William G.; Savinykh, Andrey S.; Garkushin, Gennady V.; Razorenov, Sergey V.; Kanel, Gennady I.

2014-05-01

Precise measurement of the free-surface velocity can be a rich source of information on the effects of time and strain on material strength. With this objective, we performed a careful comparative measurement of the free-surface velocity of shock loaded aluminium AD1 and magnesium alloy Ma2 samples of various thicknesses in the range 0.2 mm to 5 mm. We observed the expected decay in the elastic precursor state with increasing sample thickness for both aluminium and magnesium alloy. However, we also observed a small change in the magnitude of hysteresis in the elastic-plastic compression-unloading cycle; where qualitatively the peak free-surface velocity also increased with increasing specimen thickness. Interestingly, the observed change in hysteresis as function of specimen thickness for the Ma2 alloy was relatively smaller than the AD1, in contrast with the larger change in precursor magnitude observed for the magnesium. We propose that softening due to multiplication of dislocations is relatively large in Ma2 and results in a smaller hysteresis in the elastic-plastic cycle.

Three-dimensional local residual stress and orientation gradients near graphite nodules in ductile cast iron [3D local residual stress and orientation gradients near graphite nodules in ductile cast iron

DOE PAGES

Zhang, Y. B.; Andriollo, T.; Faester, S.; ...

2016-09-14

A synchrotron technique, differential aperture X-ray microscopy (DAXM), has been applied to characterize the microstructure and analyze the local mesoscale residual elastic strain fields around graphite nodules embedded in ferrite matrix grains in ductile cast iron. Compressive residual elastic strains are measured with a maximum strain of ~6.5–8 × 10 –4 near the graphite nodules extending into the matrix about 20 μm, where the elastic strain is near zero. The experimental data are compared with a strain gradient calculated by a finite element model, and good accord has been found but with a significant overprediction of the maximum strain. Thismore » is discussed in terms of stress relaxation during cooling or during storage by plastic deformation of the nodule, the matrix or both. Furthermore, relaxation by plastic deformation of the ferrite is demonstrated by the formation of low energy dislocation cell structure also quantified by the DAXM technique.« less

Comparison of the DeWitt metric in general relativity with the fourth-rank constitutive tensors in electrodynamics and in elasticity theory

NASA Astrophysics Data System (ADS)

Hehl, Friedrich W.; Kiefer, Claus

2018-01-01

We perform a short comparison between the local and linear constitutive tensor χ ^{λ ν σ κ } in four-dimensional electrodynamics, the elasticity tensor c^{ijkl} in three-dimensional elasticity theory, and the DeWitt metric G^{abcd} in general relativity, with {a,b,\\ldots =1,2,3}. We find that the DeWitt metric has only six independent components.

Rubber elasticity for percolation network consisting of Gaussian chains.

PubMed

Nishi, Kengo; Noguchi, Hiroshi; Sakai, Takamasa; Shibayama, Mitsuhiro

2015-11-14

A theory describing the elastic modulus for percolation networks of Gaussian chains on general lattices such as square and cubic lattices is proposed and its validity is examined with simulation and mechanical experiments on well-defined polymer networks. The theory was developed by generalizing the effective medium approximation (EMA) for Hookian spring network to Gaussian chain networks. From EMA theory, we found that the ratio of the elastic modulus at p, G to that at p = 1, G0, must be equal to G/G0 = (p - 2/f)/(1 - 2/f) if the position of sites can be determined so as to meet the force balance, where p is the degree of cross-linking reaction. However, the EMA prediction cannot be applicable near its percolation threshold because EMA is a mean field theory. Thus, we combine real-space renormalization and EMA and propose a theory called real-space renormalized EMA, i.e., REMA. The elastic modulus predicted by REMA is in excellent agreement with the results of simulations and experiments of near-ideal diamond lattice gels.

Rubber elasticity for percolation network consisting of Gaussian chains

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nishi, Kengo, E-mail: kengo.nishi@phys.uni-goettingen.de, E-mail: sakai@tetrapod.t.u-tokyo.ac.jp, E-mail: sibayama@issp.u-tokyo.ac.jp; Noguchi, Hiroshi; Shibayama, Mitsuhiro, E-mail: kengo.nishi@phys.uni-goettingen.de, E-mail: sakai@tetrapod.t.u-tokyo.ac.jp, E-mail: sibayama@issp.u-tokyo.ac.jp

2015-11-14

A theory describing the elastic modulus for percolation networks of Gaussian chains on general lattices such as square and cubic lattices is proposed and its validity is examined with simulation and mechanical experiments on well-defined polymer networks. The theory was developed by generalizing the effective medium approximation (EMA) for Hookian spring network to Gaussian chain networks. From EMA theory, we found that the ratio of the elastic modulus at p, G to that at p = 1, G{sub 0}, must be equal to G/G{sub 0} = (p − 2/f)/(1 − 2/f) if the position of sites can be determined somore » as to meet the force balance, where p is the degree of cross-linking reaction. However, the EMA prediction cannot be applicable near its percolation threshold because EMA is a mean field theory. Thus, we combine real-space renormalization and EMA and propose a theory called real-space renormalized EMA, i.e., REMA. The elastic modulus predicted by REMA is in excellent agreement with the results of simulations and experiments of near-ideal diamond lattice gels.« less

Gurtin-Murdoch surface elasticity theory revisit: An orbital-free density functional theory perspective

NASA Astrophysics Data System (ADS)

Zhu, Yichao; Wei, Yihai; Guo, Xu

2017-12-01

In the present paper, the well-established Gurtin-Murdoch theory of surface elasticity (Gurtin and Murdoch, 1975, 1978) is revisited from an orbital-free density functional theory (OFDFT) perspective by taking the boundary layer into consideration. Our analysis indicates that firstly, the quantities introduced in the Gurtin-Murdoch theory of surface elasticity can all find their explicit expressions in the derived OFDFT-based theoretical model. Secondly, the derived expression for surface energy density captures a competition between the surface normal derivatives of the electron density and the electrostatic potential, which well rationalises the onset of signed elastic constants that are observed both experimentally and computationally. Thirdly, the established model naturally yields an inversely linear relationship between the materials surface stiffness and its size, which conforms to relevant findings in literature. Since the proposed OFDFT-based model is established under arbitrarily imposed boundary condition of electron density, electrostatic potential and external load, it also has the potential of being used to investigate the electro-mechanical behaviour of nanoscale materials manifesting surface effect.

Gesellschaft fuer angewandte Mathematik und Mechanik, Annual Scientific Meeting, Universitaet Regensburg, Regensburg, West Germany, April 16-19, 1984, Proceedings

NASA Astrophysics Data System (ADS)

Problems in applied mathematics and mechanics are addressed in reviews and reports. Areas covered are vibration and stability, elastic and plastic mechanics, fluid mechanics, the numerical treatment of differential equations (general theory and finite-element methods in particular), optimization, decision theory, stochastics, actuarial mathematics, applied analysis and mathematical physics, and numerical analysis. Included are major lectures on separated flows, the transition regime of rarefied-gas dynamics, recent results in nonlinear elasticity, fluid-elastic vibration, the new computer arithmetic, and unsteady wave propagation in layered elastic bodies.

Cumulative co-seismic displacement and comparison with GPS observations in Taiwan

NASA Astrophysics Data System (ADS)

Xu, C.; Chao, B. F.; Sun, W.

2013-12-01

The island of Taiwan owes its existence to the collision of the Eurasian plate and the Philippine Sea plate. The strong seismicity can produce permanent displacement field which can be observed by GPS. Both seismological and GPS networks have been fully established in Taiwan for years. In this paper, we will study the earthquake-induced relative movements, including the amplitude and pattern, and determine how much cumulative co-seismic displacement can contribute to the observed GPS signals as long-term 'trends', by comparing the two sets of data. The co-seismic displacement is calculated by adopting the elastic dislocation theory on a spherical Earth as derived by Sun and Okubo. For the GPS observations, we will remove the seasonal and tidal effects by the least square method and the common-mode errors by the empirical orthogonal function technique. The comparison results show that the earthquake-induced displacements account only for a tiny fraction of the GPS signals, implying that the majority of the displacements in Taiwan during the studied period of 1995-2013 (which includes the largest 1999 Chi-Chi earthquake), both horizontal and vertical, are caused aseismically. The comparison also reveals some interesting details about the pattern and behavior of the displacement fields.

A Viscoelastic earthquake simulator with application to the San Francisco Bay region

USGS Publications Warehouse

Pollitz, Fred F.

2009-01-01

Earthquake simulation on synthetic fault networks carries great potential for characterizing the statistical patterns of earthquake occurrence. I present an earthquake simulator based on elastic dislocation theory. It accounts for the effects of interseismic tectonic loading, static stress steps at the time of earthquakes, and postearthquake stress readjustment through viscoelastic relaxation of the lower crust and mantle. Earthquake rupture initiation and termination are determined with a Coulomb failure stress criterion and the static cascade model. The simulator is applied to interacting multifault systems: one, a synthetic two-fault network, and the other, a fault network representative of the San Francisco Bay region. The faults are discretized both along strike and along dip and can accommodate both strike slip and dip slip. Stress and seismicity functions are evaluated over 30,000 yr trial time periods, resulting in a detailed statistical characterization of the fault systems. Seismicity functions such as the coefficient of variation and a- and b-values exhibit systematic patterns with respect to simple model parameters. This suggests that reliable estimation of the controlling parameters of an earthquake simulator is a prerequisite to the interpretation of its output in terms of seismic hazard.

Application of the anisotropic phase-field crystal model to investigate the lattice systems of different anisotropic parameters and orientations

NASA Astrophysics Data System (ADS)

Kundin, Julia; Ajmal Choudhary, Muhammad

2017-07-01

In this article, we present the recent advances in the development of the anisotropic phase-field crystal (APFC) model. These advances are important in basic researches for multiferroic and thermoelectric materials with anisotropic crystal lattices and in thin-film applications. We start by providing a general description of the model derived in our previous studies based on the crystal symmetry and the microscopic dynamical density functional theory for anisotropic interactions and show that there exist only two possible degrees of freedom for the anisotropic lattices which are described by two independent parameters. New findings concerning the applications of the APFC model for the estimation of the elastic modules of anisotropic systems including sheared and stretched lattices as well as for the investigation of the heterogeneous thin film growth are described. The simulation results demonstrate the strong dependency of the misfit dislocation formation during the film growth on the anisotropy and reveal the asymmetric behavior in the cases of positive and negative misfits. We also present the development of the amplitude representation for the full APFC model of two orientation variants and show the relationship between the wave vectors and the base angles of the anisotropic lattices.

DEFORMATION PROCESSES IN MATERIALS. Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Washburn, J.; Parker, E.R.; Tinder, R.F.

1962-08-01

It was found that irreversible plastic deformation occurs in polycrystaliine specimens of zinc, copper and its dilute alloys, and aluminum at room temperature, beginning at stresses indetectably above zero applied stress. Neither Frank-Read source generation nor simple bowing of dislocations between fixed nodes can explain the irreversible plastic behavior observed at small stresses in the metals studied. More extensive rearrangements of the dislocation substructure that probably involve glide of nodes and formation of new nodes seem to be required. Prestrained specimens of copper and its dilute alloys often exhibited bursts of plastic deformation which could possibly be due to cooperativemore » rearrangement of the dislocation substructure in one or a few grains. The introduction, by particle bombardment, of new lengths of dislocations into the gage section surface of specimens of copper and its dilute alloys produced extensive irreversible plastic flow beginning at stresses indetectably above zero applied stress. The effect of prestraln on the shape of the loading and unloading curves for zinc shows that dislocation rearrangements that cause forward and reverse strain can occur simultaneously. The net strain rate can be the algebraic sum of the strain recovery rate and the forward creep rate. The present quantitative theories of the Peierls-Nabarro stress are insufficient to permit an estimate of its magnitude from the results of this investigation. In dilute copper alloys containing up to 0.1 at.% impurity, there were many dislocations in the grown-in networks that were not locked by segregation of the foreign atoms. The study of creep behavior over a range of temperatures and at the same strain sensitivity used in these experiments combined with dislocation etch pit observations of dislocation substructure appears to be a particularly fruitful field for further investigation. (auth)« less

Microstructural and Morphological Factors Affecting Uncertainty in Small Scale Mechanical Properties

NASA Astrophysics Data System (ADS)

Maughan, Michael R.

If materials are to be developed from the ground up, the process will be dependent upon accurate and well-defined models of material behavior. These models can be closed-form solutions developed from first principles, simulations, or empirically derived equations, among others. Material behavior at the mesoscale is in general well understood, having had several centuries of study. However, behavior at the micro or nanoscale still requires characterization. Understanding the collective influence of the microstructure on the bulk material, for example with models like the Hall-Petch relation, has advanced our ability to manipulate the material to our advantage. We now have the ability to study not only the structure of the material, but also the material behavior and properties at the nanoscale. Understanding this behavior is critical to developing a framework for interpreting and utilizing these properties in materials design. This research aims to improve the fundamental understanding of the mechanical performance of materials and the subsequent variation in measured properties. The literature reports widely varying material properties such as hardness, elastic modulus, and yield point when measured at the nanoscale. Proposed variation mechanisms in these properties include surface preparation, error in measurement, heterogeneous dislocation density and distribution, crystal orientation, surface oxide film fracture, and others. Among other things, this work shows that these sources of variation can be determined and quantified, and that this information can be utilized as a characterization and/or predictive tool. The main goals of this work are to 1) continue basic research on sources of variation in the nanoscale properties of materials, specifically hardness and modulus in crystalline and glassy solids, 2) study the abrupt transition from elastic to plastic material behavior known as pop-in and resolve the problem of pseudo-elastic behavior prior to plasticity, and 3) integrate the sources of and propagate the variation into materials simulations, 4) study the influence of dislocation processes on indentation size effects, and 5) apply this learning to difficult to measure or interpret materials applications.

Anelasticity of olivine single crystals investigated by stress-reduction tests and high-angular resolution electron backscatter diffraction

NASA Astrophysics Data System (ADS)

Wallis, D.; Hansen, L. N.; Kempton, I.; Wilkinson, A. J.

2017-12-01

Geodynamic phenomena, including glacial isostatic adjustment and postseismic deformation, can involve transient deformation in response to changes in differential stress acting on mantle rocks. As such, rheological models of transient deformation are incorporated in predictions of associated processes, including sea-level rise and stress redistribution after earthquakes. However, experimental constraints on rheological models for transient deformation of mantle materials are sparse. In particular, experiments involving stress reductions have been lacking. Moreover, a material's response to a reduction in stress can provide clues to the microphysical processes controlling deformation. To constrain models of transient deformation of mantle rocks we performed stress-reduction tests on single crystals of olivine at 1250-1300°C. Mechanical and piezoelectric actuators controlled constant initial stress during creep. At various strain intervals stress was reduced near-instantaneously using the piezoelectric actuator, inducing both elastic and anelastic (time-dependent) lengthening of the samples. A range of magnitudes of stress reduction were applied, typically unloading 10-90% of the initial stress. High-angular resolution electron backscatter diffraction (HR-EBSD), based on cross-correlation of diffraction patterns, was used to map dislocation density and elastic strain distributions in the recovered samples. Magnitudes of anelastic back-strain increase with increasing magnitudes of stress reduction and show a marked increase when stress reductions exceed 50% of the initial stress, consistent with previous observations in metals and alloys. This observation is inconsistent with the Burgers rheological model commonly used to describe transient behaviour and suggests that the style of rheological behaviour depends on the magnitude of stress change. HR-EBSD maps reveal that the crystal lattices are smoothly curved and generally lack subgrain boundaries and elastic strain heterogeneities. The dependence of the anelastic behaviour on the initial stress, combined with the lack of subgrain boundaries, suggest that the anelastic behaviour is controlled by local interactions between dislocations, rather than resistance imposed by the lattice or subgrain boundaries.

The elasticity and failure of fluid-filled cellular solids: Theory and experiment

NASA Astrophysics Data System (ADS)

Warner, M.; Thiel, B. L.; Donald, A. M.

2000-02-01

We extend and apply theories of filled foam elasticity and failure to recently available data on foods. The predictions of elastic modulus and failure mode dependence on internal pressure and on wall integrity are borne out by photographic evidence of distortion and failure under compressive loading and under the localized stress applied by a knife blade, and by mechanical data on vegetables differing only in their turgor pressure. We calculate the dry modulus of plate-like cellular solids and the cross over between dry-like and fully fluid-filled elastic response. The bulk elastic properties of limp and aging cellular solids are calculated for model systems and compared with our mechanical data, which also show two regimes of response. The mechanics of an aged, limp beam is calculated, thus offering a practical procedure for comparing experiment and theory. This investigation also thereby offers explanations of the connection between turgor pressure and crispness and limpness of cellular materials.

Marangoni-induced symmetry-breaking pattern selection on viscous fluids

NASA Astrophysics Data System (ADS)

Shen, Li; Denner, Fabian; Morgan, Neal; van Wachem, Berend; Dini, Daniele

2016-11-01

Symmetry breaking transitions on curved surfaces are found in a wide range of dissipative systems, ranging from asymmetric cell divisions to structure formation in thin films. Inherent within the nonlinearities are the associated curvilinear geometry, the elastic stretching, bending and the various fluid dynamical processes. We present a generalised Swift-Hohenberg pattern selection theory on a thin, curved and viscous films in the presence of non-trivial Marangoni effect. Testing the theory with experiments on soap bubbles, we observe the film pattern selection to mimic that of the elastic wrinkling morphology on a curved elastic bilayer in regions of slow viscous flow. By examining the local state of damping of surface capillary waves we attempt to establish an equivalence between the Marangoni fluid dynamics and the nonlinear elastic shell theory above the critical wavenumber of the instabilities and propose a possible explanation for the perceived elastic-fluidic duality. The authors acknowledge the financial support of the Shell University Technology Centre for fuels and lubricants.

The elasticity and failure of fluid-filled cellular solids: theory and experiment.

PubMed

Warner, M; Thiel, B L; Donald, A M

2000-02-15

We extend and apply theories of filled foam elasticity and failure to recently available data on foods. The predictions of elastic modulus and failure mode dependence on internal pressure and on wall integrity are borne out by photographic evidence of distortion and failure under compressive loading and under the localized stress applied by a knife blade, and by mechanical data on vegetables differing only in their turgor pressure. We calculate the dry modulus of plate-like cellular solids and the cross over between dry-like and fully fluid-filled elastic response. The bulk elastic properties of limp and aging cellular solids are calculated for model systems and compared with our mechanical data, which also show two regimes of response. The mechanics of an aged, limp beam is calculated, thus offering a practical procedure for comparing experiment and theory. This investigation also thereby offers explanations of the connection between turgor pressure and crispness and limpness of cellular materials.

The elasticity and failure of fluid-filled cellular solids: Theory and experiment

PubMed Central

Warner, M.; Thiel, B. L.; Donald, A. M.

2000-01-01

We extend and apply theories of filled foam elasticity and failure to recently available data on foods. The predictions of elastic modulus and failure mode dependence on internal pressure and on wall integrity are borne out by photographic evidence of distortion and failure under compressive loading and under the localized stress applied by a knife blade, and by mechanical data on vegetables differing only in their turgor pressure. We calculate the dry modulus of plate-like cellular solids and the cross over between dry-like and fully fluid-filled elastic response. The bulk elastic properties of limp and aging cellular solids are calculated for model systems and compared with our mechanical data, which also show two regimes of response. The mechanics of an aged, limp beam is calculated, thus offering a practical procedure for comparing experiment and theory. This investigation also thereby offers explanations of the connection between turgor pressure and crispness and limpness of cellular materials. PMID:10660680

Non-affine deformations in polymer hydrogels

PubMed Central

Wen, Qi; Basu, Anindita; Janmey, Paul A.; Yodh, A. G.

2012-01-01

Most theories of soft matter elasticity assume that the local strain in a sample after deformation is identical everywhere and equal to the macroscopic strain, or equivalently that the deformation is affine. We discuss the elasticity of hydrogels of crosslinked polymers with special attention to affine and non-affine theories of elasticity. Experimental procedures to measure non-affine deformations are also described. Entropic theories, which account for gel elasticity based on stretching out individual polymer chains, predict affine deformations. In contrast, simulations of network deformation that result in bending of the stiff constituent filaments generally predict non-affine behavior. Results from experiments show significant non-affine deformation in hydrogels even when they are formed by flexible polymers for which bending would appear to be negligible compared to stretching. However, this finding is not necessarily an experimental proof of the non-affine model for elasticity. We emphasize the insights gained from experiments using confocal rheoscope and show that, in addition to filament bending, sample micro-inhomogeneity can be a significant alternative source of non-affine deformation. PMID:23002395

Harnessing atomistic simulations to predict the rate at which dislocations overcome obstacles

NASA Astrophysics Data System (ADS)

Saroukhani, S.; Nguyen, L. D.; Leung, K. W. K.; Singh, C. V.; Warner, D. H.

2016-05-01

Predicting the rate at which dislocations overcome obstacles is key to understanding the microscopic features that govern the plastic flow of modern alloys. In this spirit, the current manuscript examines the rate at which an edge dislocation overcomes an obstacle in aluminum. Predictions were made using different popular variants of Harmonic Transition State Theory (HTST) and compared to those of direct Molecular Dynamics (MD) simulations. The HTST predictions were found to be grossly inaccurate due to the large entropy barrier associated with the dislocation-obstacle interaction. Considering the importance of finite temperature effects, the utility of the Finite Temperature String (FTS) method was then explored. While this approach was found capable of identifying a prominent reaction tube, it was not capable of computing the free energy profile along the tube. Lastly, the utility of the Transition Interface Sampling (TIS) approach was explored, which does not need a free energy profile and is known to be less reliant on the choice of reaction coordinate. The TIS approach was found capable of accurately predicting the rate, relative to direct MD simulations. This finding was utilized to examine the temperature and load dependence of the dislocation-obstacle interaction in a simple periodic cell configuration. An attractive rate prediction approach combining TST and simple continuum models is identified, and the strain rate sensitivity of individual dislocation obstacle interactions is predicted.

White beam analysis of coupling between precipitation and plasticdeformation during electromigration in a passivated Al(0.5wt. percent Cu)interconnect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barabash, R.I.; Ice, G.E.; Tamura, N.

2005-09-01

The scaling of device dimensions with a simultaneous increase in functional density imposes a challenge to materials technology and reliability of interconnects. White beam X-ray microdiffraction is particularly well suited for the in situ study of electromigration. M.A. Krivoglaz theory was applied for the interpretation of white beam diffraction. The technique was used to probe microstructure in interconnects and has recently been able to monitor the onset of plastic deformation induced by mass transport during electromigration in Al(Cu) lines even before any macroscopic damage became visible. In the present paper, we demonstrate that the evolution of the dislocation structure duringmore » electromigration is highly inhomogeneous and results in the formation of unpaired randomly distributed geometrically necessary dislocations as well as geometrically necessary dislocation boundaries. When almost all unpaired dislocations and dislocation walls with the density n+ are parallel (as in the case of Al-based interconnects), the anisotropy in the scattering properties of the material becomes important, and the electrical properties of the interconnect depend strongly on the direction of the electric current relative to the orientation of the dislocation network. A coupling between the dissolution, growth and reprecipitation of Al2Cu precipitates and the electromigration-induced plastic deformation of grains in interconnects is observed.« less

Geometric Structure-Preserving Discretization Schemes for Nonlinear Elasticity

DTIC Science & Technology

2015-08-13

conditions. 15.  SUBJECT TERMS geometric theory for nonlinear elasticity, discrete exterior calculus 16.  SECURITY CLASSIFICATION OF: 17.  LIMITATION...associated Laplacian. We use the general theory for approximation of Hilbert complexes and the finite element exterior calculus and introduce some stable mixed

Defects in crystalline packings of twisted filament bundles. I. Continuum theory of disclinations.

PubMed

Grason, Gregory M

2012-03-01

We develop the theory of the coupling between in-plane order and out-of-plane geometry in twisted, two-dimensionally ordered filament bundles based on the nonlinear continuum elasticity theory of columnar materials. We show that twisted textures of filament backbones necessarily introduce stresses into the cross-sectional packing of bundles and that these stresses are formally equivalent to the geometrically induced stresses generated in thin elastic sheets that are forced to adopt spherical curvature. As in the case of crystalline order on curved membranes, geometrically induced stresses couple elastically to the presence of topological defects in the in-plane order. We derive the effective theory of multiple disclination defects in the cross section of bundle with a fixed twist and show that above a critical degree of twist, one or more fivefold disclinations is favored in the elastic energy ground state. We study the structure and energetics of multidisclination packings based on models of equilibrium and nonequilibrium cross-sectional order.

Stress and strain relaxation in magnesium AZ31 rolled plate: In-situ neutron measurement and elastic viscoplastic polycrystal modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Huamiao; Clausen, Bjorn; Capolungo, Laurent

Continuous mechanical tests with strain holds (stress relaxation) and with stress holds (strain relaxation) are performed simultaneously with in-situ neutron measurements to analyze the mechanisms of stress and strain relaxation in Mg AZ31 rolled plate. A dislocation activity based constitutive model, accounting for internal stress statistical distributions, is proposed and implemented into an elastic viscoplastic self-consistent (EVPSC) framework to simultaneously describe both stress and strain relaxation. The model captures the experimental data in terms of macroscopic stress strain curves, evolution of stress and strain during holding, as well as evolution of the internal elastic strains. Model results indicate that themore » magnitude of the stress relaxed during strain holding is dependent on both, the magnitude of the flow stress and the spread of the resolved shear stress distribution. The magnitude of strain accumulated during stress holding is, on the other hand, dependent on the magnitude of the hardening rate and on the spread of the resolved shear stress distribution. Furthermore, the internal elastic strains are directly correlated with the stress state, and hence the stress relaxation during strain holds has a greater influence on the lattice strains than strain relaxation during stress holds.« less

Stress and strain relaxation in magnesium AZ31 rolled plate: In-situ neutron measurement and elastic viscoplastic polycrystal modeling

DOE PAGES

Wang, Huamiao; Clausen, Bjorn; Capolungo, Laurent; ...

2015-07-16

Continuous mechanical tests with strain holds (stress relaxation) and with stress holds (strain relaxation) are performed simultaneously with in-situ neutron measurements to analyze the mechanisms of stress and strain relaxation in Mg AZ31 rolled plate. A dislocation activity based constitutive model, accounting for internal stress statistical distributions, is proposed and implemented into an elastic viscoplastic self-consistent (EVPSC) framework to simultaneously describe both stress and strain relaxation. The model captures the experimental data in terms of macroscopic stress strain curves, evolution of stress and strain during holding, as well as evolution of the internal elastic strains. Model results indicate that themore » magnitude of the stress relaxed during strain holding is dependent on both, the magnitude of the flow stress and the spread of the resolved shear stress distribution. The magnitude of strain accumulated during stress holding is, on the other hand, dependent on the magnitude of the hardening rate and on the spread of the resolved shear stress distribution. Furthermore, the internal elastic strains are directly correlated with the stress state, and hence the stress relaxation during strain holds has a greater influence on the lattice strains than strain relaxation during stress holds.« less

Importance of elastic finite-size effects: Neutral defects in ionic compounds

NASA Astrophysics Data System (ADS)

Burr, P. A.; Cooper, M. W. D.

2017-09-01

Small system sizes are a well-known source of error in density functional theory (DFT) calculations, yet computational constraints frequently dictate the use of small supercells, often as small as 96 atoms in oxides and compound semiconductors. In ionic compounds, electrostatic finite-size effects have been well characterized, but self-interaction of charge-neutral defects is often discounted or assumed to follow an asymptotic behavior and thus easily corrected with linear elastic theory. Here we show that elastic effects are also important in the description of defects in ionic compounds and can lead to qualitatively incorrect conclusions if inadequately small supercells are used; moreover, the spurious self-interaction does not follow the behavior predicted by linear elastic theory. Considering the exemplar cases of metal oxides with fluorite structure, we show that numerous previous studies, employing 96-atom supercells, misidentify the ground-state structure of (charge-neutral) Schottky defects. We show that the error is eliminated by employing larger cells (324, 768, and 1500 atoms), and careful analysis determines that elastic, not electrostatic, effects are responsible. The spurious self-interaction was also observed in nonoxide ionic compounds irrespective of the computational method used, thereby resolving long-standing discrepancies between DFT and force-field methods, previously attributed to the level of theory. The surprising magnitude of the elastic effects is a cautionary tale for defect calculations in ionic materials, particularly when employing computationally expensive methods (e.g., hybrid functionals) or when modeling large defect clusters. We propose two computationally practicable methods to test the magnitude of the elastic self-interaction in any ionic system. In commonly studied oxides, where electrostatic effects would be expected to be dominant, it is the elastic effects that dictate the need for larger supercells: greater than 96 atoms.

Bright x-rays reveal shifting deformation states and effects of the microstructure on the plastic deformation of crystalline materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beaudoin, A. J.; Shade, P. A.; Schuren, J. C.

The plastic deformation of crystalline materials is usually modeled as smoothly progressing in space and time, yet modern studies show intermittency in the deformation dynamics of single-crystals arising from avalanche behavior of dislocation ensembles under uniform applied loads. However, once the prism of the microstructure in polycrystalline materials disperses and redistributes the load on a grain-by-grain basis, additional length and time scales are involved. Thus, the question is open as to how deformation intermittency manifests for the nonuniform grain-scale internal driving forces interacting with the finer-scale dislocation ensemble behavior. In this work we track the evolution of elastic strain withinmore » individual grains of a creep-loaded titanium alloy, revealing widely varying internal strains that fluctuate over time. Here, the findings provide direct evidence of how flow intermittency proceeds for an aggregate of ~700 grains while showing the influences of multiscale ensemble interactions and opening new avenues for advancing plasticity modeling.« less

Bright x-rays reveal shifting deformation states and effects of the microstructure on the plastic deformation of crystalline materials

DOE PAGES

Beaudoin, A. J.; Shade, P. A.; Schuren, J. C.; ...

2017-11-30

The plastic deformation of crystalline materials is usually modeled as smoothly progressing in space and time, yet modern studies show intermittency in the deformation dynamics of single-crystals arising from avalanche behavior of dislocation ensembles under uniform applied loads. However, once the prism of the microstructure in polycrystalline materials disperses and redistributes the load on a grain-by-grain basis, additional length and time scales are involved. Thus, the question is open as to how deformation intermittency manifests for the nonuniform grain-scale internal driving forces interacting with the finer-scale dislocation ensemble behavior. In this work we track the evolution of elastic strain withinmore » individual grains of a creep-loaded titanium alloy, revealing widely varying internal strains that fluctuate over time. Here, the findings provide direct evidence of how flow intermittency proceeds for an aggregate of ~700 grains while showing the influences of multiscale ensemble interactions and opening new avenues for advancing plasticity modeling.« less

Strain relaxation in convex-graded InxAl1-xAs (x = 0.05-0.79) metamorphic buffer layers grown by molecular beam epitaxy on GaAs(001)

NASA Astrophysics Data System (ADS)

Solov'ev, V. A.; Chernov, M. Yu; Baidakova, M. V.; Kirilenko, D. A.; Yagovkina, M. A.; Sitnikova, A. A.; Komissarova, T. A.; Kop'ev, P. S.; Ivanov, S. V.

2018-01-01

This paper presents a study of structural properties of InGaAs/InAlAs quantum well (QW) heterostructures with convex-graded InxAl1-xAs (x = 0.05-0.79) metamorphic buffer layers (MBLs) grown by molecular beam epitaxy on GaAs substrates. Mechanisms of elastic strain relaxation in the convex-graded MBLs were studied by the X-ray reciprocal space mapping combined with the data of spatially-resolved selected area electron diffraction implemented in a transmission electron microscope. The strain relaxation degree was approximated for the structures with different values of an In step-back. Strong contribution of the strain relaxation via lattice tilt in addition to the formation of the misfit dislocations has been observed for the convex-graded InAlAs MBL, which results in a reduced threading dislocation density in the QW region as compared to a linear-graded MBL.

Misfit strain relaxation in (Ba0.60Sr0.40)TiO3 epitaxial thin films on orthorhombic NdGaO3 substrates

NASA Astrophysics Data System (ADS)

Simon, W. K.; Akdogan, E. K.; Safari, A.

2006-07-01

Strain relaxation in (Ba0.60Sr0.40)TiO3 (BST) thin films on ⟨110⟩ orthorhombic NdGaO3 substrates is investigated by x-ray diffractometry. Pole figure analysis indicates a [010]BST∥[1¯10]NGO and [001]BST∥[001]NGO in-plane and [100]BST∥[100]NGO out-of-plane epitaxial relationship. The residual strains are relaxed at h ˜200nm, and for h >600nm, films are essentially strain free. Two independent dislocations mechanisms operate to relieve the anisotropic misfit strains along the principal directions. The critical thickness for misfit dislocation formation along [001] and [010] are 11 and 15nm, respectively. Stress analysis indicates deviation from linear elasticity for h <200. The films with 10

Solution of elastic-plastic stress analysis problems by the p-version of the finite element method

NASA Technical Reports Server (NTRS)

Szabo, Barna A.; Actis, Ricardo L.; Holzer, Stefan M.

1993-01-01

The solution of small strain elastic-plastic stress analysis problems by the p-version of the finite element method is discussed. The formulation is based on the deformation theory of plasticity and the displacement method. Practical realization of controlling discretization errors for elastic-plastic problems is the main focus. Numerical examples which include comparisons between the deformation and incremental theories of plasticity under tight control of discretization errors are presented.

Mathematical Physics in Italy in the XIX Century: The Theory of Elasticity

NASA Astrophysics Data System (ADS)

Capecchi, Danilo

In the second half of the nineteenth century there was in Italy an important group of mathematicians who focused their attention on mathematical physics. The most prominent of them were Enrico Betti, Eugenio Beltrami, Gregorio Ricci-Curbastro and some others (Vito Volterra, Carlo Somigliana and Tullio Levi Civita) whose activity persevered for many years in the twentieth century. In this article, I will write about the contribution of this group to the theory of elasticity. The best representative writing on continuum mechanics and elasticity as theories of mathematical physics is presented in the book Teoria della elasticità by Enrico Betti. The book is interesting not only for the particular results found but also for its structure which became paradigmatic for the development of subsequent texts on elasticity, not only those in Italian. Betti's interest was concentrated on the mathematical aspects of a physical theory. Physical principles are not discussed; they are only exposed in the most formal way possible. The objective is to arrive, without discussing epistemological or empirical problems, at the formulation and solution of differential equations that rule elasticity, as had become classic in the emerging mathematical physics. Beltrami wrote no complete books on elasticity; however, his contribution to this field was perhaps more original than that of Betti. A similar consideration holds true for Volterra and Somigliana.

Inclusive Breakup Theory of Three-Body Halos

NASA Astrophysics Data System (ADS)

Hussein, Mahir S.; Souza, Lucas A.; Chimanski, Emanuel; Carlson, Brett; Frederico, Tobias

2017-11-01

We present a recently developed theory for the inclusive breakup of three-fragment projectiles within a four-body spectator model [1], for the treatment of the elastic and inclusive non-elastic break up reactions involving weakly bound three-cluster nuclei in A (a; b) X / a = x1 + x2 + b collisions. The four-body theory is an extension of the three-body approaches developed in the 80's by Ichimura, Autern and Vincent (IAV) [2], Udagawa and Tamura (UT) [3] and Hussein and McVoy (HM) [4]. We expect that experimentalists shall be encouraged to search for more information about the x1 + x2 system in the elastic breakup cross section and that also further developments and extensions of the surrogate method will be pursued, based on the inclusive non-elastic breakup part of the b spectrum.

Elasticity Theory Solution of the Problem on Plane Bending of a Narrow Layered Cantilever Beam by Loads at Its Free End

NASA Astrophysics Data System (ADS)

Goryk, A. V.; Koval'chuk, S. B.

2018-05-01

An exact elasticity theory solution for the problem on plane bending of a narrow layered composite cantilever beam by tangential and normal loads distributed on its free end is presented. Components of the stress-strain state are found for the whole layers package by directly integrating differential equations of the plane elasticity theory problem by using an analytic representation of piecewise constant functions of the mechanical characteristics of layer materials. The continuous solution obtained is realized for a four-layer beam with account of kinematic boundary conditions simulating the rigid fixation of its one end. The solution obtained allows one to predict the strength and stiffness of composite cantilever beams and to construct applied analytical solutions for various problems on the elastic bending of layered beams.

Influence of dislocation strain fields on the diffusion of interstitial iron impurities in silicon

NASA Astrophysics Data System (ADS)

Ziebarth, Benedikt; Mrovec, Matous; Elsässer, Christian; Gumbsch, Peter

2015-09-01

The efficiency of silicon (Si)-based solar cells is strongly affected by crystal defects and impurities. Metallic impurities, in particular interstitial iron (Fe) atoms, cause large electric losses because they act as recombination centers for photogenerated charge carriers. Here, we present a systematic first-principles density functional theory (DFT) study focusing on the influence of hydrostatic, uniaxial, and shear strains on the thermodynamic stability and the diffusivity of Fe impurities in crystalline Si. Our calculations show that the formation energy of neutral Fe interstitials in tetrahedral interstitial sites is almost unaffected by uniform deformations of the Si crystal up to strains of 5%. In contrast, the migration barrier varies significantly with strain, especially for hydrostatic deformation. In order to determine effective diffusion coefficients for different strain states, a kinetic Monte Carlo (kMC) model was set up based on the activation energy barriers and frequency factors obtained from the DFT simulations. By using the strain dependence of the migration barrier, we examined the migration of Fe interstitials in the vicinity of perfect 1 /2 <110 > screw and 60∘ mixed dislocations, and 1 /6 <112 > 90∘ and 30∘ partial dislocations. While the strain field of the perfect screw dislocation always enhances the local Fe diffusion, the existence of tensile and compressive regions around the 60∘ mixed dislocation results in a strong anisotropic diffusion profile with significantly faster and slower diffusivities on its tensile and compressive sides. The influences of the partial dislocations are qualitatively similar to that of the 60∘ mixed dislocation.

Anomalous elastic response of silicon to uniaxial shock compression on nanosecond time scales.

PubMed

Loveridge-Smith, A; Allen, A; Belak, J; Boehly, T; Hauer, A; Holian, B; Kalantar, D; Kyrala, G; Lee, R W; Lomdahl, P; Meyers, M A; Paisley, D; Pollaine, S; Remington, B; Swift, D C; Weber, S; Wark, J S

2001-03-12

We have used x-ray diffraction with subnanosecond temporal resolution to measure the lattice parameters of orthogonal planes in shock compressed single crystals of silicon (Si) and copper (Cu). Despite uniaxial compression along the (400) direction of Si reducing the lattice spacing by nearly 11%, no observable changes occur in planes with normals orthogonal to the shock propagation direction. In contrast, shocked Cu shows prompt hydrostaticlike compression. These results are consistent with simple estimates of plastic strain rates based on dislocation velocity data.

Burgers vector content of an interfacial ledge

NASA Astrophysics Data System (ADS)

Bonnet, R.; Loubradou, M.; Pénisson, J. M.

1992-07-01

A new way of investigating the elastic field around a ledge of a faceted interface is proposed for crystalline materials. The length and/or angular misfits along two adjacent facets are accommodated by slightly deforming the atomic structural units with an appropriate distribution of translation dislocations. The Burgers vector content of the ledge is not defined as usual from a circuit crossing the interface twice, a method which proves to be sometimes misleading. An example treats, at the atomic scale, an unusual ledge of the interface TiAl/Ti3Al.

Modeling of surface effects in crystalline materials within the framework of gradient crystal plasticity

NASA Astrophysics Data System (ADS)

Peng, Xiang-Long; Husser, Edgar; Huang, Gan-Yun; Bargmann, Swantje

2018-03-01

A finite-deformation gradient crystal plasticity theory is developed, which takes into account the interaction between dislocations and surfaces. The model captures both energetic and dissipative effects for surfaces penetrable by dislocations. By taking advantage of the principle of virtual power, the surface microscopic boundary equations are obtained naturally. Surface equations govern surface yielding and hardening. A thin film under shear deformation serves as a benchmark problem for validation of the proposed model. It is found that both energetic and dissipative surface effects significantly affect the plastic behavior.

The internal structure of the planets Mercury, Venus, Mars and Jupiter according to the Savic-Kasanin theory

NASA Astrophysics Data System (ADS)

Savic, P.

The internal structure of Mercury, Venus, Mars, and Jupiter is considered in the framework of the Savic-Kasanin theory of the behavior of materials under high pressure. The main hypothesis underlying the theory is based on the deformation of the electron shells by the dislocation and ejection of electrons from atoms in a given material. This theory is discussed in relation to the spontaneous effect of gravitation and cooling on atoms in the material of a celestial body.

Mechanical responses of a-axis GaN nanowires under axial loads

NASA Astrophysics Data System (ADS)

Wang, R. J.; Wang, C. Y.; Feng, Y. T.; Tang, Chun

2018-03-01

Gallium nitride (GaN) nanowires (NWs) hold technological significance as functional components in emergent nano-piezotronics. However, the examination of their mechanical responses, especially the mechanistic understanding of behavior beyond elasticity (at failure) remains limited due to the constraints of in situ experimentation. We therefore performed simulations of the molecular dynamics (MD) of the mechanical behavior of [1\\bar{2}10]-oriented GaN NWs subjected to tension or compression loading until failure. The mechanical properties and critical deformation processes are characterized in relation to NW sizes and loading conditions. Detailed examinations revealed that the failure mechanisms are size-dependent and controlled by the dislocation mobility on shuffle-set pyramidal planes. The size dependence of the elastic behavior is also examined in terms of the surface structure determined modification of Young’s modulus. In addition, a comparison with c-axis NWs is made to show how size-effect trends vary with the growth orientation of NWs.

Spall behaviour of single crystal aluminium at three principal orientations

NASA Astrophysics Data System (ADS)

Owen, G. D.; Chapman, D. J.; Whiteman, G.; Stirk, S. M.; Millett, J. C. F.; Johnson, S.

2017-10-01

A series of plate impact experiments have been conducted to study the spall strength of the three principal crystallographic orientations of single crystal aluminium ([100], [110] and, [111]) and ultra-pure polycrystalline aluminium. The samples have been shock loaded at two impact stresses (4 GPa and 10 GPa). Significant differences have been observed in the elastic behaviour, the pullback velocities, and the general shape of the wave profiles, which can be accounted for by considerations of the microscale homogeneity, the dislocation density, and the absence of grain boundaries in the single crystal materials. The data have shown that there is a consistent order of spall strength measured for the four sample materials. The [111] orientation has the largest spall strength and elastic limit, followed closely by [110], [100], and then the polycrystalline material. This order is consistent with both quasi-static data and geometrical consideration of Schmid factors.

Dynamic plasticity and failure of high-purity alumina under shock loading.

PubMed

Chen, M W; McCauley, J W; Dandekar, D P; Bourne, N K

2006-08-01

Most high-performance ceramics subjected to shock loading can withstand high failure strength and exhibit significant inelastic strain that cannot be achieved under conventional loading conditions. The transition point from elastic to inelastic response prior to failure during shock loading, known as the Hugoniot elastic limit (HEL), has been widely used as an important parameter in the characterization of the dynamic mechanical properties of ceramics. Nevertheless, the underlying micromechanisms that control HEL have been debated for many years. Here we show high-resolution electron microscopy of high-purity alumina, soft-recovered from shock-loading experiments. The change of deformation behaviour from dislocation activity in the vicinity of grain boundaries to deformation twinning has been observed as the impact pressures increase from below, to above HEL. The evolution of deformation modes leads to the conversion of material failure from an intergranular mode to transgranular cleavage, in which twinning interfaces serve as the preferred cleavage planes.

Modeling crustal deformation near active faults and volcanic centers: a catalog of deformation models and modeling approaches

USGS Publications Warehouse

Battaglia, Maurizio; ,; Peter, F.; Murray, Jessica R.

2013-01-01

This manual provides the physical and mathematical concepts for selected models used to interpret deformation measurements near active faults and volcanic centers. The emphasis is on analytical models of deformation that can be compared with data from the Global Positioning System (GPS) receivers, Interferometric synthetic aperture radar (InSAR), leveling surveys, tiltmeters and strainmeters. Source models include pressurized spherical, ellipsoidal, and horizontal penny-shaped geometries in an elastic, homogeneous, flat half-space. Vertical dikes and faults are described following the mathematical notation for rectangular dislocations in an elastic, homogeneous, flat half-space. All the analytical expressions were verified against numerical models developed by use of COMSOL Multyphics, a Finite Element Analysis software (http://www.comsol.com). In this way, typographical errors present were identified and corrected. Matlab scripts are also provided to facilitate the application of these models.

Interaction between a circular inclusion and an arbitrarily oriented crack

NASA Technical Reports Server (NTRS)

Erdogan, F.; Gupta, G. D.; Ratwani, M.

1975-01-01

The plane interaction problem for a circular elastic inclusion embedded in an elastic matrix which contains an arbitrarily oriented crack is considered. Using the existing solutions for the edge dislocations as Green's functions, first the general problem of a through crack in the form of an arbitrary smooth arc located in the matrix in the vicinity of the inclusion is formulated. The integral equations for the line crack are then obtained as a system of singular integral equations with simple Cauchy kernels. The singular behavior of the stresses around the crack tips is examined and the expressions for the stress-intensity factors representing the strength of the stress singularities are obtained in terms of the asymptotic values of the density functions of the integral equations. The problem is solved for various typical crack orientations and the corresponding stress-intensity factors are given.

Effect of elastic excitations on the surface structure of hadfield steel under friction

NASA Astrophysics Data System (ADS)

Kolubaev, A. V.; Ivanov, Yu. F.; Sizova, O. V.; Kolubaev, E. A.; Aleshina, E. A.; Gromov, V. E.

2008-02-01

The structure of the Hadfield steel (H13) surface layer forming under dry friction is examined. The deformation of the material under the friction surface is studied at a low slip velocity and a low pressure (much smaller than the yields stress of H13 steel). The phase composition and defect substructure on the friction surface are studied using scanning, optical, and diffraction electron microscopy methods. It is shown that a thin highly deformed nanocrystalline layer arises near the friction surface that transforms into a polycrystalline layer containing deformation twins and dislocations. The nanocrystalline structure and the presence of oxides in the surface layer and friction zone indicate a high temperature and high plastic strains responsible for the formation of the layer. It is suggested that the deformation of the material observed far from the surface is due to elastic wave generation at friction.

Equivalent strike-slip earthquake cycles in half-space and lithosphere-asthenosphere earth models

USGS Publications Warehouse

Savage, J.C.

1990-01-01

By virtue of the images used in the dislocation solution, the deformation at the free surface produced throughout the earthquake cycle by slippage on a long strike-slip fault in an Earth model consisting of an elastic plate (lithosphere) overlying a viscoelastic half-space (asthenosphere) can be duplicated by prescribed slip on a vertical fault embedded in an elastic half-space. Inversion of 1973-1988 geodetic measurements of deformation across the segment of the San Andreas fault in the Transverse Ranges north of Los Angeles for the half-space equivalent slip distribution suggests no significant slip on the fault above 30 km and a uniform slip rate of 36 mm/yr below 30 km. One equivalent lithosphere-asthenosphere model would have a 30-km thick lithosphere and an asthenosphere relaxation time greater than 33 years, but other models are possible. -from Author

Thermoelastic Damping in FGM Nano-Electromechanical System in Axial Vibration Based on Eringen Nonlocal Theory

NASA Astrophysics Data System (ADS)

Rahimi, Z.; Rashahmadi, S.

2017-11-01

The thermo-elastic damping is a dominant source of internal damping in micro-electromechanical systems (MEMS) and nano-electromechanical systems (NEMS). The internal damping cannot neither be controlled nor minimized unless either mechanical or geometrical properties are changed. Therefore, a novel FGMNEM system with a controllable thermo-elastic damping of axial vibration based on Eringen nonlocal theory is considered. The effects of different parameter like the gradient index, nonlocal parameter, length of nanobeam and ambient temperature on the thermo-elastic damping quality factor are presented. It is shown that the thermo-elastic damping can be controlled by changing different parameter.

Investigation of structural, electronic, elastic and optical properties of Cd1-x-yZnxHgyTe alloys

NASA Astrophysics Data System (ADS)

Tamer, M.

2016-06-01

Structural, optical and electronic properties and elastic constants of Cd1-x-yZnx HgyTe alloys have been studied by employing the commercial code Castep based on density functional theory. The generalized gradient approximation and local density approximation were utilized as exchange correlation. Using elastic constants for compounds, bulk modulus, band gap, Fermi energy and Kramers-Kronig relations, dielectric constants and the refractive index have been found through calculations. Apart from these, X-ray measurements revealed elastic constants and Vegard's law. It is seen that results obtained from theory and experiments are all in agreement.

Physics-Based Crystal Plasticity Modeling of Single Crystal Niobium

NASA Astrophysics Data System (ADS)

Maiti, Tias

Crystal plasticity models based on thermally activated dislocation kinetics has been successful in predicting the deformation behavior of crystalline materials, particularly in face-centered cubic (fcc) metals. In body-centered cubic (bcc) metals success has been limited owing to ill-defined slip planes. The flow stress of a bcc metal is strongly dependent on temperature and orientation due to the non-planar splitting of a/2 screw dislocations. As a consequence of this, bcc metals show two unique deformation characteristics: (a) thermally-activated glide of screw dislocations--the motion of screw components with their non-planar core structure at the atomistic level occurs even at low stress through the nucleation (assisted by thermal activation) and lateral propagation of dislocation kink pairs; (b) break-down of the Schmid Law, where dislocation slip is driven only by the resolved shear stress. Since the split dislocation core has to constrict for a kink pair formation (and propagation), the non-planarity of bcc screw dislocation cores entails an influence of (shear) stress components acting on planes other than the primary glide plane on their mobility. Another consequence of the asymmetric core splitting on the glide plane is a direction-sensitive slip resistance, which is termed twinning/atwinning sense of shear and should be taken into account when developing constitutive models. Modeling thermally-activated flow including the above-mentioned non-Schmid effects in bcc metals has been the subject of much work, starting in the 1980s and gaining increased interest in recent times. The majority of these works focus on single crystal deformation of commonly used metals such as Iron (Fe), Molybdenum (Mo), and Tungsten (W), while very few published studies address deformation behavior in Niobium (Nb). Most of the work on Nb revolves around fitting parameters of phenomenological descriptions, which do not capture adequately the macroscopic multi-stage hardening behavior and evolution of crystallographic texture from a physical point of view. Therefore, we aim to develop a physics-based crystal plasticity model that can capture these effects as a function of grain orientations, microstructure parameters, and temperature. To achieve this goal, first, a new dilatational constitutive model is developed for simulating the deformation of non-compact geometries (foams or geometries with free surfaces) using the spectral method. The model has been used to mimic the void-growth behavior of a biaxially loaded plate with a circular inclusion. The results show that the proposed formulation provides a much better description of void-like behavior compared to the pure elastic behavior of voids. Using the developed dilatational framework, periodic boundary conditions arising from the spectral solver has been relaxed to study the tensile deformation behavior of dogbone-shaped Nb single crystals. Second, a dislocation density-based constitutive model with storage and recovery laws derived from Discrete Dislocation Dynamics (DDD) is implemented to model multi-stage strain hardening. The influence of pre-deformed dislocation content, dislocation interaction strengths and mean free path on stage II hardening is then simulated and compared with in-situ tensile experiments.

Size-dependent adhesion energy of shape-selected Pd and Pt nanoparticles

NASA Astrophysics Data System (ADS)

Ahmadi, M.; Behafarid, F.; Cuenya, B. Roldan

2016-06-01

Thermodynamically stable shape-selected Pt and Pd nanoparticles (NPs) were synthesized via inverse micelle encapsulation and a subsequent thermal treatment in vacuum above 1000 °C. The majority of the Pd NPs imaged via scanning tunneling microscopy (STM) had a truncated octahedron shape with (111) top and interfacial facets, while the Pt NPs were found to adopt a variety of shapes. For NPs of identical shape for both material systems, the NP-support adhesion energy calculated based on STM data was found to be size-dependent, with large NPs (e.g. ~6 nm) having lower adhesion energies than smaller NPs (e.g. ~1 nm). This phenomenon was rationalized based on support-induced strain that for larger NPs favors the formation of lattice dislocations at the interface rather than a lattice distortion that may propagate through the smaller NPs. In addition, identically prepared Pt NPs of the same shape were found to display a lower adhesion energy compared to Pd NPs. While in both cases, a transition from a lattice distortion to interface dislocations is expected to occur with increasing NP size, the higher elastic energy in Pt leads to a lower transition size, which in turn lowers the adhesion energy of Pt NPs compared to Pd.Thermodynamically stable shape-selected Pt and Pd nanoparticles (NPs) were synthesized via inverse micelle encapsulation and a subsequent thermal treatment in vacuum above 1000 °C. The majority of the Pd NPs imaged via scanning tunneling microscopy (STM) had a truncated octahedron shape with (111) top and interfacial facets, while the Pt NPs were found to adopt a variety of shapes. For NPs of identical shape for both material systems, the NP-support adhesion energy calculated based on STM data was found to be size-dependent, with large NPs (e.g. ~6 nm) having lower adhesion energies than smaller NPs (e.g. ~1 nm). This phenomenon was rationalized based on support-induced strain that for larger NPs favors the formation of lattice dislocations at the interface rather than a lattice distortion that may propagate through the smaller NPs. In addition, identically prepared Pt NPs of the same shape were found to display a lower adhesion energy compared to Pd NPs. While in both cases, a transition from a lattice distortion to interface dislocations is expected to occur with increasing NP size, the higher elastic energy in Pt leads to a lower transition size, which in turn lowers the adhesion energy of Pt NPs compared to Pd. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr02166b

Theory of activated glassy dynamics in randomly pinned fluids.

PubMed

Phan, Anh D; Schweizer, Kenneth S

2018-02-07

We generalize the force-level, microscopic, Nonlinear Langevin Equation (NLE) theory and its elastically collective generalization [elastically collective nonlinear Langevin equation (ECNLE) theory] of activated dynamics in bulk spherical particle liquids to address the influence of random particle pinning on structural relaxation. The simplest neutral confinement model is analyzed for hard spheres where there is no change of the equilibrium pair structure upon particle pinning. As the pinned fraction grows, cage scale dynamical constraints are intensified in a manner that increases with density. This results in the mobile particles becoming more transiently localized, with increases of the jump distance, cage scale barrier, and NLE theory mean hopping time; subtle changes of the dynamic shear modulus are predicted. The results are contrasted with recent simulations. Similarities in relaxation behavior are identified in the dynamic precursor regime, including a roughly exponential, or weakly supra-exponential, growth of the alpha time with pinning fraction and a reduction of dynamic fragility. However, the increase of the alpha time with pinning predicted by the local NLE theory is too small and severely so at very high volume fractions. The strong deviations are argued to be due to the longer range collective elasticity aspect of the problem which is expected to be modified by random pinning in a complex manner. A qualitative physical scenario is offered for how the three distinct aspects that quantify the elastic barrier may change with pinning. ECNLE theory calculations of the alpha time are then presented based on the simplest effective-medium-like treatment for how random pinning modifies the elastic barrier. The results appear to be consistent with most, but not all, trends seen in recent simulations. Key open problems are discussed with regard to both theory and simulation.

Theory of activated glassy dynamics in randomly pinned fluids

NASA Astrophysics Data System (ADS)

Phan, Anh D.; Schweizer, Kenneth S.

2018-02-01

We generalize the force-level, microscopic, Nonlinear Langevin Equation (NLE) theory and its elastically collective generalization [elastically collective nonlinear Langevin equation (ECNLE) theory] of activated dynamics in bulk spherical particle liquids to address the influence of random particle pinning on structural relaxation. The simplest neutral confinement model is analyzed for hard spheres where there is no change of the equilibrium pair structure upon particle pinning. As the pinned fraction grows, cage scale dynamical constraints are intensified in a manner that increases with density. This results in the mobile particles becoming more transiently localized, with increases of the jump distance, cage scale barrier, and NLE theory mean hopping time; subtle changes of the dynamic shear modulus are predicted. The results are contrasted with recent simulations. Similarities in relaxation behavior are identified in the dynamic precursor regime, including a roughly exponential, or weakly supra-exponential, growth of the alpha time with pinning fraction and a reduction of dynamic fragility. However, the increase of the alpha time with pinning predicted by the local NLE theory is too small and severely so at very high volume fractions. The strong deviations are argued to be due to the longer range collective elasticity aspect of the problem which is expected to be modified by random pinning in a complex manner. A qualitative physical scenario is offered for how the three distinct aspects that quantify the elastic barrier may change with pinning. ECNLE theory calculations of the alpha time are then presented based on the simplest effective-medium-like treatment for how random pinning modifies the elastic barrier. The results appear to be consistent with most, but not all, trends seen in recent simulations. Key open problems are discussed with regard to both theory and simulation.

Elastic and Mechanical Properties of the MAX Phases

NASA Astrophysics Data System (ADS)

Barsoum, Michel W.; Radovic, Miladin

2011-08-01

The more than 60 ternary carbides and nitrides, with the general formula Mn+1AXn—where n = 1, 2, or 3; M is an early transition metal; A is an A-group element (a subset of groups 13-16); and X is C and/or N—represent a new class of layered solids, where Mn+1Xn layers are interleaved with pure A-group element layers. The growing interest in the Mn+1AXn phases lies in their unusual, and sometimes unique, set of properties that can be traced back to their layered nature and the fact that basal dislocations multiply and are mobile at room temperature. Because of their chemical and structural similarities, the MAX phases and their corresponding MX phases share many physical and chemical properties. In this paper we review our current understanding of the elastic and mechanical properties of bulk MAX phases where they differ significantly from their MX counterparts. Elastically the MAX phases are in general quite stiff and elastically isotropic. The MAX phases are relatively soft (2-8 GPa), are most readily machinable, and are damage tolerant. Some of them are also lightweight and resistant to thermal shock, oxidation, fatigue, and creep. In addition, they behave as nonlinear elastic solids, dissipating 25% of the mechanical energy during compressive cycling loading of up to 1 GPa at room temperature. At higher temperatures, they undergo a brittle-to-plastic transition, and their mechanical behavior is a strong function of deformation rate.

Postbuckling behaviors of nanorods including the effects of nonlocal elasticity theory and surface stress

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thongyothee, Chawis, E-mail: chawist@hotmail.com; Chucheepsakul, Somchai

2013-12-28

This paper is concerned with postbuckling behaviors of nanorods subjected to an end concentrated load. One end of the nanorod is clamped while the other end is fixed to a support that can slide in the slot. The governing equation is developed from static equilibrium and geometrical conditions by using the exact curvature corresponding to the elastica theory. The nonlocal elasticity, the effect of surface stress, and their combined effects are taken into account in Euler–Bernoulli beam theory. Differential equations in this problem can be solved numerically by using the shooting-optimization technique for the postbuckling loads and the buckled configurations.more » The results show that nanorods with the nonlocal elasticity effect undergo increasingly large deformation while the effect of surface stress in combination with nonlocal elasticity decreases the deflection of nanorods under the same postbuckling load.« less

Determination of Elastic Moduli of Fiber-Resin Composites Using an Impulse Excitation Technique

NASA Technical Reports Server (NTRS)

Viens, Michael J.; Johnson, Jeffrey J.

1996-01-01

The elastic moduli of graphite/epoxy and graphite/cyanate ester composite specimens with various laminate lay-ups was determined using an impulse excitation/acoustic resonance technique and compared to those determined using traditional strain gauge and extensometer techniques. The stiffness results were also compared to those predicted from laminate theory using uniaxial properties. The specimen stiffnesses interrogated ranged from 12 to 30 Msi. The impulse excitation technique was found to be a relatively quick and accurate method for determining elastic moduli with minimal specimen preparation and no requirement for mechanical loading frames. The results of this investigation showed good correlation between the elastic modulus determined using the impulse excitation technique, strain gauge and extensometer techniques, and modulus predicted from laminate theory. The flexural stiffness determined using the impulse excitation was in good agreement with that predicted from laminate theory. The impulse excitation/acoustic resonance interrogation technique has potential as a quality control test.

A physics-based crystallographic modeling framework for describing the thermal creep behavior of Fe-Cr alloys

DOE PAGES

Wen, Wei; Capolungo, Laurent; Patra, Anirban; ...

2017-02-23

In this work, a physics-based thermal creep model is developed based on the understanding of the microstructure in Fe-Cr alloys. This model is associated with a transition state theory based framework that considers the distribution of internal stresses at sub-material point level. The thermally activated dislocation glide and climb mechanisms are coupled in the obstacle-bypass processes for both dislocation and precipitate-type barriers. A kinetic law is proposed to track the dislocation densities evolution in the subgrain interior and in the cell wall. The predicted results show that this model, embedded in the visco-plastic self-consistent (VPSC) framework, captures well the creepmore » behaviors for primary and steady-state stages under various loading conditions. We also discuss the roles of the mechanisms involved.« less

Phyllotactic transformations as plastic deformations of tubular crystals with defects

NASA Astrophysics Data System (ADS)

Beller, Daniel; Nelson, David

Tubular crystals are 2D lattices in cylindrical topologies, which could be realized as assemblies of colloidal particles, and occur naturally in biological microtubules and in single-walled carbon nanotubes. Their geometry can be understood in the language of phyllotaxis borrowed from botany. We study the mechanics of plastic deformations in tubular crystals in response to tensile stress, as mediated by the formation and separation of dislocation pairs in a triangular lattice. Dislocation motion allows the growth of one phyllotactic arrangement at the expense of another, offering a low-energy, stepwise mode of plastic deformation in response to external stresses. Through theory and simulation, we examine how the tube's radius and helicity affects, and is in turn altered by, dislocation glide. The crystal's bending modulus is found to produce simple but important corrections to the tube's deformation mechanics.

The complete process of large elastic-plastic deflection of a cantilever

NASA Astrophysics Data System (ADS)

Wu, Xiaoqiang; Yu, Tongxi

1986-11-01

An extension of the Elastica theory is developed to study the large deflection of an elastic-perfectly plastic horizontal cantilever beam subjected to a vertical concentrated force at its tip. The entire process is divided into four stages: I.elastic in the whole cantilever; II.loading and developing of the plastic region; III.unloading in the plastic region; and IV.reverse loading. Solutions for stages I and II are presented in a closed form. A combination of closed-form solution and numerical integration is presented for stage III. Finally, stage IV is qualitatively studied. Computed results are given and compared with those from small-deflection theory and from the Elastica theory.

Sex Ratio Elasticity Influences the Selection of Sex Ratio Strategy.

PubMed

Wang, Yaqiang; Wang, Ruiwu; Li, Yaotang; Sam Ma, Zhanshan

2016-12-23

There are three sex ratio strategies (SRS) in nature-male-biased sex ratio, female-biased sex ratio and, equal sex ratio. It was R. A. Fisher who first explained why most species in nature display a sex ratio of ½. Consequent SRS theories such as Hamilton's local mate competition (LMC) and Clark's local resource competition (LRC) separately explained the observed deviations from the seemingly universal 1:1 ratio. However, to the best of our knowledge, there is not yet a unified theory that accounts for the mechanisms of the three SRS. Here, we introduce the price elasticity theory in economics to define sex ratio elasticity (SRE), and present an analytical model that derives three SRSs based on the following assumption: simultaneously existing competitions for both resources A and resources B influence the level of SRE in both sexes differently. Consequently, it is the difference (between two sexes) in the level of their sex ratio elasticity that leads to three different SRS. Our analytical results demonstrate that the elasticity-based model not only reveals a highly plausible mechanism that explains the evolution of SRS in nature, but also offers a novel framework for unifying two major classical theories (i.e., LMC &LRC) in the field of SRS research.

Sex Ratio Elasticity Influences the Selection of Sex Ratio Strategy

NASA Astrophysics Data System (ADS)

Wang, Yaqiang; Wang, Ruiwu; Li, Yaotang; (Sam) Ma, Zhanshan

2016-12-01

There are three sex ratio strategies (SRS) in nature—male-biased sex ratio, female-biased sex ratio and, equal sex ratio. It was R. A. Fisher who first explained why most species in nature display a sex ratio of ½. Consequent SRS theories such as Hamilton’s local mate competition (LMC) and Clark’s local resource competition (LRC) separately explained the observed deviations from the seemingly universal 1:1 ratio. However, to the best of our knowledge, there is not yet a unified theory that accounts for the mechanisms of the three SRS. Here, we introduce the price elasticity theory in economics to define sex ratio elasticity (SRE), and present an analytical model that derives three SRSs based on the following assumption: simultaneously existing competitions for both resources A and resources B influence the level of SRE in both sexes differently. Consequently, it is the difference (between two sexes) in the level of their sex ratio elasticity that leads to three different SRS. Our analytical results demonstrate that the elasticity-based model not only reveals a highly plausible mechanism that explains the evolution of SRS in nature, but also offers a novel framework for unifying two major classical theories (i.e., LMC & LRC) in the field of SRS research.

Studies of O18 impurity trapping at interstitial dislocation loops in ion implanted Fe (1 1 0) by ion channeling and ab initio calculations

NASA Astrophysics Data System (ADS)

Mathayan, Vairavel; Kothalamuthu, Saravanan; Gnanasekaran, Jaiganesh; Balakrishnan, Sundaravel; Panigrahi, Binaykumar

2018-01-01

The O18 and self ions are implanted at same depth in Fe (1 1 0) crystal and annealed to study the oxygen trapping under excess self interstitial defects. Rutherford backscattering spectrometry, nuclear reaction analysis and channeling measurements have been performed to determine the lattice site position of O18. The presence of dislocation loops is confirmed by energy-dependent dechanneling parameter measurements. From the tilt angular scans of Fe and O18 signals along 〈1 0 0〉, 〈1 1 0〉 axes, O18 is found to be displaced 0.2 Å from tetrahedral towards octahedral interstitial site in O18. Similar lattice site location of oxygen with the displacement of 0.37 Å is predicted by density functional theory calculations for the interaction of oxygen with 〈1 0 0〉 interstitial dislocation loop structure. Our results provide strong evidence on oxygen trapping at interstitial dislocation loops in the presence of excess interstitial defects in iron.

On contact problems of elasticity theory

NASA Technical Reports Server (NTRS)

Kalandiya, A. I.

1986-01-01

Certain contact problems are reviewed in the two-dimensional theory of elasticity when round bodies touch without friction along most of the boundary and, therefore, Herz' hypothesis on the smallness of the contact area cannot be used. Fundamental equations were derived coinciding externally with the equation in the theory of a finite-span wing with unkown parameter. These equations are solved using Multhopp's well-known technique, and numerical calculations are performed in specific examples.

Kinetic Theories for Biofilms (Preprint)

DTIC Science & Technology

2011-01-01

2011 2. REPORT TYPE 3. DATES COVERED 00-00-2011 to 00-00-2011 4. TITLE AND SUBTITLE Kinetic Theories for Biofilms 5a. CONTRACT NUMBER 5b...binary complex fluids to develop a set of hydrodynamic models for the two-phase mixture of biofilms and solvent (water). It is aimed to model...kinetics along with the intrinsic molecular elasticity of the EPS network strand modeled as an elastic dumbbell. This theory is valid in both the biofilm

Exact solutions for laminated composite cylindrical shells in cylindrical bending

NASA Technical Reports Server (NTRS)

Yuan, F. G.

1992-01-01

Analytic elasticity solutions for laminated composite cylindrical shells under cylindrical bending are presented. The material of the shell is assumed to be general cylindrically anisotropic. Based on the theory of cylindrical anisotropic elasticity, coupled governing partial differential equations are developed. The general expressions for the stresses and displacements in the laminated composite cylinders are discussed. The closed form solutions based on Classical Shell Theory (CST) and Donnell's (1933) theory are also derived for comparison purposes. Three examples illustrate the effect of radius-to-thickness ratio, coupling and stacking sequence. The results show that, in general, CST yields poor stress and displacement distributions for thick-section composite shells, but converges to the exact elasticity solution as the radius-to-thickness ratio increases. It is also shown that Donnell's theory significantly underestimates the stress and displacement response.

Three-dimensional lattice matching of epitaxially embedded nanoparticles

NASA Astrophysics Data System (ADS)

May, Brelon J.; Anderson, Peter M.; Myers, Roberto C.

2017-02-01

For a given degree of in-plane lattice mismatch between a two-dimensional (2D) epitaxial layer and a substrate (ɛIP*), there is a critical thickness above which interfacial defects form to relax the elastic strain energy. Here, we extend the 2D lattice-matching conditions to three-dimensions in order to predict the critical size beyond which epitaxially encased nanoparticles, characterized by both ɛIP* and out-of-plane lattice mismatch (ɛOP*), relax by dislocation formation. The critical particle length (Lc) at which defect formation proceeds is determined by balancing the reduction in elastic energy associated with dislocation introduction with the corresponding increase in defect energy. Our results, which use a modified Eshelby inclusion technique for an embedded, arbitrarily-faceted nanoparticle, provide new insight to the nanoepitaxy of low dimensional structures, especially quantum dots and nanoprecipitates. By engineering ɛIP* and ɛOP* , the predicted Lc for nanoparticles can be increased to well beyond the case of encapsulation in a homogenous matrix. For the case of truncated pyramidal shaped InAs, Lc 10.8 nm when fully embedded in GaAs (ɛIP* = ɛOP* = - 0.072); 16.4 nm when the particle is grown on GaAs, but capped with InSb (ɛIP* = - 0.072 and ɛOP* =+0.065); and a maximum of 18.4 nm if capped with an alloy corresponding to ɛOP* =+0.037. The effect, which we term "3D Poisson-stabilization" provides a means to increase the epitaxial strain tolerance in epitaxial heterostructures by tailoring ɛOP*.

On the nature of L1{sub 0} ordering in equiatomic AuNi and AuCu thin films grown on Au(001)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dynna, M.; Marty, A.; Gilles, B.

1997-01-01

The L1{sub 0} ordering of thin epitaxial films having a (001) surface normal subject to elastic constraints imposed by a similarly oriented substrate has been investigated both experimentally and theoretically. Thin AuNi films grown by MBE at room temperature on Au(001) by means of the alternating deposition of Au and Ni are found to possess a L1{sub 0} structure free of periodic antiphase boundaries when growth is controlled in such a way as to ensure that the quantity of Au or Ni deposited is almost exactly equal to one monolayer. If such control is not exercised during growth, a structuremore » having periodic antiphase boundaries is formed. This behavior stands in contrast to that of AuCu during room temperature MBE growth on Au(001), where a strongly ordered L2{sub 0} structure free of antiphase boundaries is formed even on the codeposition of Au and Cu. The effect of elastic constraints on the state of order in an alloy film which undergoes an L2{sub 0} order-disorder transition is examined as a function of temperature, lattice mismatch, and film thickness within the context of a model which allows for the introduction of dislocations in order to relieve misfit strain. Calculations are performed in detail for the case of AuCu, where particular attention is paid to the coupling between film thickness, the number of misfit dislocations present at equilibrium, and the state of order.« less

Geodetic exploration of strain along the El Pilar Fault in northeastern Venezuela

NASA Astrophysics Data System (ADS)

Reinoza, C.; Jouanne, F.; Audemard, F. A.; Schmitz, M.; Beck, C.

2015-03-01

We use Global Navigation Satellite Systems observations in northeastern Venezuela to constrain the El Pilar Fault (EPF) kinematics and to explore the effects of the variable elastic properties of the surrounding medium and of the fault geometry on inferred slip rates and locking depth. The velocity field exhibits an asymmetric velocity gradient on either side of the EPF. We use five different approaches to explore possible models to explain this asymmetry. First, we infer a 1.6 km locking depth using a classic elastic half-space dislocation model. Second, we infer a 1.5 km locking depth and a 0.33 asymmetry coefficient using a heterogeneous asymmetric model, including contrasting material properties on either side of a vertical fault, suggesting that the igneous-metamorphic terranes on the northern side are ~2 times more rigid than the sedimentary southern side. Third, we use a three-dimensional elastostatic model to evaluate the presence of a compliant zone, suggesting a 30% reduction of rigidity in the upper 3 km at the depth of a 1 to 5 km wide fault zone. Fourth, we evaluate the distribution of fault slip, revealing a widespread partial creep pattern in the eastern upper segment, while the upper western segment exhibits a partially locked area, which coincides with the rupture surface of the 1797 and 1929 earthquakes. To supplement these models, we upgrade the previously published displacement simulation method using nonvertical dislocations with data acquired between 2003 and 2013. The localized aseismic displacement pattern associated with creeping or partially creeping fault segments could explain the low level of historic seismicity.

Finite Element modelling of deformation induced by interacting volcanic sources

NASA Astrophysics Data System (ADS)

Pascal, Karen; Neuberg, Jürgen; Rivalta, Eleonora

2010-05-01

The displacement field due to magma movements in the subsurface is commonly modelled using the solutions for a point source (Mogi, 1958), a finite spherical source (McTigue, 1987), or a dislocation source (Okada, 1992) embedded in a homogeneous elastic half-space. When the magmatic system comprises more than one source, the assumption of homogeneity in the half-space is violated and several sources are combined, their respective deformation field being summed. We have investigated the effects of neglecting the interaction between sources on the surface deformation field. To do so, we calculated the vertical and horizontal displacements for models with adjacent sources and we tested them against the solutions of corresponding numerical 3D finite element models. We implemented several models combining spherical pressure sources and dislocation sources, varying their relative position. Furthermore we considered the impact of topography, loading, and magma compressibility. To quantify the discrepancies and compare the various models, we calculated the difference between analytical and numerical maximum horizontal or vertical surface displacements.We will demonstrate that for certain conditions combining analytical sources can cause an error of up to 20%. References: McTigue, D. F. (1987), Elastic Stress and Deformation Near a Finite Spherical Magma Body: Resolution of the Point Source Paradox, J. Geophys. Res. 92, 12931-12940. Mogi, K. (1958), Relations between the eruptions of various volcanoes and the deformations of the ground surfaces around them, Bull Earthquake Res Inst, Univ Tokyo 36, 99-134. Okada, Y. (1992), Internal Deformation Due to Shear and Tensile Faults in a Half-Space, Bulletin of the Seismological Society of America 82(2), 1018-1040.

Simplex GPS and InSAR Inversion Software

NASA Technical Reports Server (NTRS)

Donnellan, Andrea; Parker, Jay W.; Lyzenga, Gregory A.; Pierce, Marlon E.

2012-01-01

Changes in the shape of the Earth's surface can be routinely measured with precisions better than centimeters. Processes below the surface often drive these changes and as a result, investigators require models with inversion methods to characterize the sources. Simplex inverts any combination of GPS (global positioning system), UAVSAR (uninhabited aerial vehicle synthetic aperture radar), and InSAR (interferometric synthetic aperture radar) data simultaneously for elastic response from fault and fluid motions. It can be used to solve for multiple faults and parameters, all of which can be specified or allowed to vary. The software can be used to study long-term tectonic motions and the faults responsible for those motions, or can be used to invert for co-seismic slip from earthquakes. Solutions involving estimation of fault motion and changes in fluid reservoirs such as magma or water are possible. Any arbitrary number of faults or parameters can be considered. Simplex specifically solves for any of location, geometry, fault slip, and expansion/contraction of a single or multiple faults. It inverts GPS and InSAR data for elastic dislocations in a half-space. Slip parameters include strike slip, dip slip, and tensile dislocations. It includes a map interface for both setting up the models and viewing the results. Results, including faults, and observed, computed, and residual displacements, are output in text format, a map interface, and can be exported to KML. The software interfaces with the QuakeTables database allowing a user to select existing fault parameters or data. Simplex can be accessed through the QuakeSim portal graphical user interface or run from a UNIX command line.

Some aspects of the stability of the plane deformation mode of filaments of finite stiffness beyond the elasticity limits

NASA Astrophysics Data System (ADS)

Shimanovskii, A. V.

A method for calculating the plane bending of elastic-plastic filaments of finite stiffness is proposed on the basis of plastic flow theory. The problem considered is shown to reduce to relations similar to Kirchhoff equations for elastic work. Expressions are obtained for determining the normalized stiffness characteristics for the cross section of a filament with plastic regions containing beam theory equations as a particular case. A study is made of the effect of the plastic region size on the position of the elastic deformation-unloading interface and on the normalized stiffness of the filament cross section. Calculation results are presented in graphic form.

Investigation of structural, electronic, elastic and optical properties of Cd{sub 1-x-y}Zn{sub x}Hg{sub y}Te alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tamer, M., E-mail: mehmet.tamer@zirve.edu.tr

2016-06-15

Structural, optical and electronic properties and elastic constants of Cd1{sub -x-y}Zn{sub x} Hg{sub y}Te alloys have been studied by employing the commercial code Castep based on density functional theory. The generalized gradient approximation and local density approximation were utilized as exchange correlation. Using elastic constants for compounds, bulk modulus, band gap, Fermi energy and Kramers–Kronig relations, dielectric constants and the refractive index have been found through calculations. Apart from these, X-ray measurements revealed elastic constants and Vegard’s law. It is seen that results obtained from theory and experiments are all in agreement.

Mapping of hydraulic fractures from tiltmeter measurements

NASA Astrophysics Data System (ADS)

Lecampion, B.; Jeffrey, R.

2003-12-01

In considering the problem of inverse modeling of tiltmeter data for hydraulic fracture mapping, we address the issues of selecting the elastic model to represent the hydraulic fracture and limitations imposed by distance and fracture size on the information that can be recovered about the fracture. A tiltmeter measures, at its location, the changes in the surface inclination in two orthogonal directions. These inclinations are a direct measure of the horizontal gradient of the vertical component of the displacement field. Since advances in instrumentation in the last two decades, this type of apparatus have become extremely precise and can detect inclination changes down to a nanoradian. The simplicity of tiltmeter measurements has attracted interest not only in geophysics, but also in the petroleum industry. The idea of using tiltmeters to monitor hydraulic fractures can be traced back to the paper of Sun te{S} and is now a commercial service offered to the petroleum industry te{W}. However, the modeling and associated inverse problems required to analyze tiltmeter data raise difficult questions. The object(s) (fault, dyke, fracture) responsible for the recorded tilt are often modeled by finite Displacement Discontinuities, also called dislocation models. The validity of this type of model has been extensively discussed te{O,E} and many solutions for different configurations can be found in the literature. We show that it is possible to construct the solution for any type of dislocation model from the fundamental solution for an infinitesimal Displacement Discontinuity tensor. The eigenstrain theory te{M} is used to obtain this fundamental solution from the Green's function for the desired elastic domain (e.g. full or half space). Comparisons with known solutions demonstrate the flexibility of such method. We then focus on the problem of obtaining information about the orientation and size of an opening mode hydraulic fracture from the measured tilt field. One important problem is the identification of all the dimensions of the fracture model (length, width). The ability to obtain these parameters is controlled by limits, expressed in terms of the distance between the measurements and the fracture compared to the size of the fracture itself. The value of this ratio provides a condition that must be met before the fracture length-scales can be resolved. Determination of the fracture orientation is then investigated using a spatial Fourier Transform on the data set. This procedure highlights the requirement on the measurement array needed for a reliable identification: extension, number of tiltmeters, relative angle between the array and the fracture plane. \\begin{thebibliography}{1} \\bibitem{E} {Evans K.} \

Sound transmission through stiffened double-panel structures lined with elastic porous materials

NASA Astrophysics Data System (ADS)

Mathur, Gopal P.; Tran, Boi N.; Bolton, J. S.; Shiau, Nae-Ming

This paper presents transmission loss prediction models for a periodically stiffened panel and stiffened double-panel structures using the periodic structure theory. The inter-panel cavity in the double-panels structures can be modeled as being separated by an airspace or filled with an elastic porous layer in various configurations. The acoustic behavior of elastic porous layer is described by a theory capable of accounting fully for multi-dimensional wave propagation in such materials. The predicted transmission loss of a single stiffened panel is compared with the measured data.

Analysis and control of hourglass instabilities in underintegrated linear and nonlinear elasticity

NASA Technical Reports Server (NTRS)

Jacquotte, Olivier P.; Oden, J. Tinsley

1994-01-01

Methods are described to identify and correct a bad finite element approximation of the governing operator obtained when under-integration is used in numerical code for several model problems: the Poisson problem, the linear elasticity problem, and for problems in the nonlinear theory of elasticity. For each of these problems, the reason for the occurrence of instabilities is given, a way to control or eliminate them is presented, and theorems of existence, uniqueness, and convergence for the given methods are established. Finally, numerical results are included which illustrate the theory.

On the residual yield stress of shocked metals

NASA Astrophysics Data System (ADS)

Chapman, David; Eakins, Daniel; Savinykh, Andrey; Garkushin, Gennady; Kanel, Gennady; Razorenov, Sergey

2013-06-01

The measurement of the free-surface velocity is commonly employed in planar shock-compression experiments. It is known that the peak free-surface velocity of a shocked elastic-plastic material should be slightly less than twice the particle velocity behind shock front; this difference being proportional to the yield stress. Precise measurement of the free-surface velocity can be a rich source of information on the effects of time and strain on material hardening or softening. With this objective, we performed comparative measurements of the free-surface velocity of shock loaded aluminium AD1 and magnesium alloy Ma2 samples of various thicknesses in the range 0.2 mm to 5 mm. We observed the expected hysteresis in the elastic-plastic compression-unloading cycle for both AD1 and Ma2; where qualitatively the peak free-surface velocity increased with increasing specimen thickness. However, the relative change in magnitude of hysteresis as function of specimen thickness observed for the Ma2 alloy was smaller than expected given the large observed change in precursor magnitude. We propose that softening due to multiplication of dislocations is relatively large in Ma2 and results in a smaller hysteresis in the elastic-plastic cycle.

LibHalfSpace: A C++ object-oriented library to study deformation and stress in elastic half-spaces

NASA Astrophysics Data System (ADS)

Ferrari, Claudio; Bonafede, Maurizio; Belardinelli, Maria Elina

2016-11-01

The study of deformation processes in elastic half-spaces is widely employed for many purposes (e.g. didactic, scientific investigation of real processes, inversion of geodetic data, etc.). We present a coherent programming interface containing a set of tools designed to make easier and faster the study of processes in an elastic half-space. LibHalfSpace is presented in the form of an object-oriented library. A set of well known and frequently used source models (Mogi source, penny shaped horizontal crack, inflating spheroid, Okada rectangular dislocation, etc.) are implemented to describe the potential usage and the versatility of the library. The common interface given to library tools enables us to switch easily among the effects produced by different deformation sources that can be monitored at the free surface. Furthermore, the library also offers an interface which simplifies the creation of new source models exploiting the features of object-oriented programming (OOP). These source models can be built as distributions of rectangular boundary elements. In order to better explain how new models can be deployed some examples are included in the library.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liang, Linyun; Mei, Zhi -Gang; Kim, Yeon Soo

A mesoscale model is developed by integrating the rate theory and phase-field models and is used to study the fission-induced recrystallization in U-7Mo alloy. The rate theory model is used to predict the dislocation density and the recrystallization nuclei density due to irradiation. The predicted fission rate and temperature dependences of the dislocation density are in good agreement with experimental measurements. This information is used as input for the multiphase phase-field model to investigate the fission-induced recrystallization kinetics. The simulated recrystallization volume fraction and bubble induced swelling agree well with experimental data. The effects of the fission rate, initial grainmore » size, and grain morphology on the recrystallization kinetics are discussed based on an analysis of recrystallization growth rate using the modified Avrami equation. Here, we conclude that the initial microstructure of the U-Mo fuels, especially the grain size, can be used to effectively control the rate of fission-induced recrystallization and therefore swelling.« less

Phenomenological model for transient deformation based on state variables

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jackson, M S; Cho, C W; Alexopoulos, P

The state variable theory of Hart, while providing a unified description of plasticity-dominated deformation, exhibits deficiencies when it is applied to transient deformation phenomena at stresses below yield. It appears that the description of stored anelastic strain is oversimplified. Consideration of a simple physical picture based on continuum dislocation pileups suggests that the neglect of weak barriers to dislocation motion is the source of these inadequacies. An appropriately modified description incorporating such barriers then allows the construction of a macroscopic model including transient effects. Although the flow relations for the microplastic element required in the new theory are not known,more » tentative assignments may be made for such functions. The model then exhibits qualitatively correct behavior when tensile, loading-unloading, reverse loading, and load relaxation tests are simulated. Experimental procedures are described for determining the unknown parameters and functions in the new model.« less

Measurement of elastic precursor decay in pre-heated aluminum films under ultra-fast laser generated shocks

DOE PAGES

Zuanetti, Bryan; McGrane, Shawn David; Bolme, Cynthia Anne; ...

2018-05-18

Here, this article presents results from laser-driven shock compression experiments performed on pre-heated pure aluminum films at temperatures ranging from 23 to 400 °C. The samples were vapor deposited on the surface of a 500 μm thick sapphire substrate and mounted onto a custom holder with an integrated ring-heater to enable variable initial temperature conditions. A chirped pulse amplified laser was used to generate a pulse for both shocking the films and for probing the free surface velocity using Ultrafast Dynamic Ellipsometry. The particle velocity traces measured at the free surface clearly show elastic and plastic wave separation, which wasmore » used to estimate the decay of the elastic precursor amplitude over propagation distances ranging from 0.278 to 4.595 μm. Elastic precursors (which also correspond to dynamic material strength under uniaxial strain) of increasing amplitudes were observed with increasing initial sample temperatures for all propagation distances, which is consistent with expectations for aluminum in a deformation regime where phonon drag limits the mobility of dislocations. The experimental results show peak elastic amplitudes corresponding to axial stresses of over 7.5 GPa; estimates for plastic strain-rates in the samples are of the order 10 9/s. The measured elastic amplitudes at the micron length scales are compared with those at the millimeter length-scales using a two-parameter model and used to correlate the rate sensitivity of the dynamic strength at strain-rates ranging from 10 3 to 10 9/s and elevated temperature conditions. The overall trend, as inferred from the experimental data, indicates that the temperature-strengthening effect decreases with increasing plastic strain-rates.« less

Measurement of elastic precursor decay in pre-heated aluminum films under ultra-fast laser generated shocks

NASA Astrophysics Data System (ADS)

Zuanetti, Bryan; McGrane, Shawn D.; Bolme, Cynthia A.; Prakash, Vikas

2018-05-01

This article presents results from laser-driven shock compression experiments performed on pre-heated pure aluminum films at temperatures ranging from 23 to 400 °C. The samples were vapor deposited on the surface of a 500 μm thick sapphire substrate and mounted onto a custom holder with an integrated ring-heater to enable variable initial temperature conditions. A chirped pulse amplified laser was used to generate a pulse for both shocking the films and for probing the free surface velocity using Ultrafast Dynamic Ellipsometry. The particle velocity traces measured at the free surface clearly show elastic and plastic wave separation, which was used to estimate the decay of the elastic precursor amplitude over propagation distances ranging from 0.278 to 4.595 μm. Elastic precursors (which also correspond to dynamic material strength under uniaxial strain) of increasing amplitudes were observed with increasing initial sample temperatures for all propagation distances, which is consistent with expectations for aluminum in a deformation regime where phonon drag limits the mobility of dislocations. The experimental results show peak elastic amplitudes corresponding to axial stresses of over 7.5 GPa; estimates for plastic strain-rates in the samples are of the order 109/s. The measured elastic amplitudes at the micron length scales are compared with those at the millimeter length-scales using a two-parameter model and used to correlate the rate sensitivity of the dynamic strength at strain-rates ranging from 103 to 109/s and elevated temperature conditions. The overall trend, as inferred from the experimental data, indicates that the temperature-strengthening effect decreases with increasing plastic strain-rates.

Measurement of elastic precursor decay in pre-heated aluminum films under ultra-fast laser generated shocks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zuanetti, Bryan; McGrane, Shawn David; Bolme, Cynthia Anne

Here, this article presents results from laser-driven shock compression experiments performed on pre-heated pure aluminum films at temperatures ranging from 23 to 400 °C. The samples were vapor deposited on the surface of a 500 μm thick sapphire substrate and mounted onto a custom holder with an integrated ring-heater to enable variable initial temperature conditions. A chirped pulse amplified laser was used to generate a pulse for both shocking the films and for probing the free surface velocity using Ultrafast Dynamic Ellipsometry. The particle velocity traces measured at the free surface clearly show elastic and plastic wave separation, which wasmore » used to estimate the decay of the elastic precursor amplitude over propagation distances ranging from 0.278 to 4.595 μm. Elastic precursors (which also correspond to dynamic material strength under uniaxial strain) of increasing amplitudes were observed with increasing initial sample temperatures for all propagation distances, which is consistent with expectations for aluminum in a deformation regime where phonon drag limits the mobility of dislocations. The experimental results show peak elastic amplitudes corresponding to axial stresses of over 7.5 GPa; estimates for plastic strain-rates in the samples are of the order 10 9/s. The measured elastic amplitudes at the micron length scales are compared with those at the millimeter length-scales using a two-parameter model and used to correlate the rate sensitivity of the dynamic strength at strain-rates ranging from 10 3 to 10 9/s and elevated temperature conditions. The overall trend, as inferred from the experimental data, indicates that the temperature-strengthening effect decreases with increasing plastic strain-rates.« less

Effective-medium theory of elastic waves in random networks of rods.

PubMed

Katz, J I; Hoffman, J J; Conradi, M S; Miller, J G

2012-06-01

We formulate an effective medium (mean field) theory of a material consisting of randomly distributed nodes connected by straight slender rods, hinged at the nodes. Defining wavelength-dependent effective elastic moduli, we calculate both the static moduli and the dispersion relations of ultrasonic longitudinal and transverse elastic waves. At finite wave vector k the waves are dispersive, with phase and group velocities decreasing with increasing wave vector. These results are directly applicable to networks with empty pore space. They also describe the solid matrix in two-component (Biot) theories of fluid-filled porous media. We suggest the possibility of low density materials with higher ratios of stiffness and strength to density than those of foams, aerogels, or trabecular bone.

Homogenization theory for designing graded viscoelastic sonic crystals

NASA Astrophysics Data System (ADS)

Qu, Zhao-Liang; Ren, Chun-Yu; Pei, Yong-Mao; Fang, Dai-Ning

2015-02-01

In this paper, we propose a homogenization theory for designing graded viscoelastic sonic crystals (VSCs) which consist of periodic arrays of elastic scatterers embedded in a viscoelastic host material. We extend an elastic homogenization theory to VSC by using the elastic-viscoelastic correspondence principle and propose an analytical effective loss factor of VSC. The results of VSC and the equivalent structure calculated by using the finite element method are in good agreement. According to the relation of the effective loss factor to the filling fraction, a graded VSC plate is easily and quickly designed. Then, the graded VSC may have potential applications in the vibration absorption and noise reduction fields. Project supported by the National Basic Research Program of China (Grant No. 2011CB610301).

Temporal variations in magnetic signals generated by the piezomagnetic effect for dislocation sources in a uniform medium

NASA Astrophysics Data System (ADS)

Yamazaki, Ken'ichi

2016-07-01

Fault ruptures in the Earth's crust generate both elastic and electromagnetic (EM) waves. If the corresponding EM signals can be observed, then earthquakes could be detected before the first seismic waves arrive. In this study, I consider the piezomagnetic effect as a mechanism that converts elastic waves to EM energy, and I derive analytical formulas for the conversion process. The situation considered in this study is a whole-space model, in which elastic and EM properties are uniform and isotropic. In this situation, the governing equations of the elastic and EM fields, combined with the piezomagnetic constitutive law, can be solved analytically in the time domain by ignoring the displacement current term. Using the derived formulas, numerical examples are investigated, and the corresponding characteristics of the expected magnetic signals are resolved. I show that temporal variations in the magnetic field depend strongly on the electrical conductivity of the medium, meaning that precise detection of signals generated by the piezomagnetic effect is generally difficult. Expected amplitudes of piezomagnetic signals are estimated to be no larger than 0.3 nT for earthquakes with a moment magnitude of ≥7.0 at a source distance of 25 km; however, this conclusion may not extend to the detection of real earthquakes, because piezomagnetic stress sensitivity is currently poorly constrained.

Elastic contact mechanics: percolation of the contact area and fluid squeeze-out.

PubMed

Persson, B N J; Prodanov, N; Krick, B A; Rodriguez, N; Mulakaluri, N; Sawyer, W G; Mangiagalli, P

2012-01-01

The dynamics of fluid flow at the interface between elastic solids with rough surfaces depends sensitively on the area of real contact, in particular close to the percolation threshold, where an irregular network of narrow flow channels prevails. In this paper, numerical simulation and experimental results for the contact between elastic solids with isotropic and anisotropic surface roughness are compared with the predictions of a theory based on the Persson contact mechanics theory and the Bruggeman effective medium theory. The theory predictions are in good agreement with the experimental and numerical simulation results and the (small) deviation can be understood as a finite-size effect. The fluid squeeze-out at the interface between elastic solids with randomly rough surfaces is studied. We present results for such high contact pressures that the area of real contact percolates, giving rise to sealed-off domains with pressurized fluid at the interface. The theoretical predictions are compared to experimental data for a simple model system (a rubber block squeezed against a flat glass plate), and for prefilled syringes, where the rubber plunger stopper is lubricated by a high-viscosity silicon oil to ensure functionality of the delivery device. For the latter system we compare the breakloose (or static) friction, as a function of the time of stationary contact, to the theory prediction.

A Reformulation of Nonlinear Anisotropic Elasticity for Impact Physics

DTIC Science & Technology

2014-02-01

aluminum, copper, and magnesium . 15. SUBJECT TERMS impact physics, shock compression, elasticity, plasticity 16. SECURITY CLASSIFICATION OF: 17... deformation wave propagation code accounting for dissipative inelastic mechanisms. • Accuracy of the new nonlinear elastic- plastic model(s) will be...gradient and its transpose. A new general thermomechanical theory accounting for both elastic and plastic deformations has been briefly outlined in

Replace with abstract title

NASA Astrophysics Data System (ADS)

Coho, Aleksander; Kioussis, Nicholas

2003-03-01

We use the semidiscrete variational generelized Peierls-Nabarro model to study the effect of Cu alloying on the dislocation properties of Al. First-principles density functional theory (DFT) is used to calculate the generalized-stacking-fault (GSF) energy surface when a <111> plane, on which one in four Al atoms has been replaced with a Cu atom, slips over a pure Al <111> plane. Various dislocation core properties (core width, energy, Peierls stress, dissociation tendency) are investigated and compared with the pure Al case. Cu alloying lowers the intrinsic stacking fault (ISF) energy, which makes dislocations more likely to dissociate into partials. We also try to understand the lowering of ISF energy in terms of Al-Cu and Al-Al bond formation and braking during shearing along the <112> direction. From the above we draw conclusions about the effects of Cu alloying on the mechanical properties of Al.

Elastic S-matrices in (1 + 1) dimensions and Toda field theories

DOE Office of Scientific and Technical Information (OSTI.GOV)

Christe, P.; Mussardo, G.

Particular deformations of 2-D conformal field theory lead to integrable massive quantum field theories. These can be characterized by the relative scattering data. This paper proposes a general scheme for classifying the elastic nondegenerate S-matrix in (1 + 1) dimensions starting from the possible boot-strap processes and the spins of the conserved currents. Their identification with the S-matrix coming from the Toda field theory is analyzed. The authors discuss both cases of Toda field theory constructed with the simply-laced Dynkin diagrams and the nonsimply-laced ones. The authors present the results of the perturbative analysis and their geometrical interpretations.

An exact stiffness theory for unidirectional xFRP composites

NASA Astrophysics Data System (ADS)

Klasztorny, M.; Konderla, P.; Piekarski, R.

2009-01-01

UD xFRP composites, i.e., isotropic plastics reinforced with long transversely isotropic fibres packed unidirectionally according to the hexagonal scheme are considered. The constituent materials are geometrically and physically linear. The previous formulations of the exact stiffness theory of such composites are revised, and the theory is developed further based on selected boundary-value problems of elasticity theory. The numerical examples presented are focussed on testing the theory with account of previous variants of this theory and experimental values of the effective elastic constants. The authors have pointed out that the exact stiffness theory of UD xFRP composites, with the modifications proposed in our study, will be useful in the engineering practice and in solving the current problems of the mechanics of composite materials.

Effective Medium Theories for Multicomponent Poroelastic Composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berryman, J G

2005-02-08

In Biot's theory of poroelasticity, elastic materials contain connected voids or pores and these pores may be filled with fluids under pressure. The fluid pressure then couples to the mechanical effects of stress or strain applied externally to the solid matrix. Eshelby's formula for the response of a single ellipsoidal elastic inclusion in an elastic whole space to a strain imposed at a distant boundary is a very well-known and important result in elasticity. Having a rigorous generalization of Eshelby's results valid for poroelasticity means that the hard part of Eshelby's work (in computing the elliptic integrals needed to evaluatemore » the fourth-rank tensors for inclusions shaped like spheres, oblate and prolate spheroids, needles and disks) can be carried over from elasticity to poroelasticity--and also thermoelasticity--with only relatively minor modifications. Effective medium theories for poroelastic composites such as rocks can then be formulated easily by analogy to well-established methods used for elastic composites. An identity analogous to Eshelby's classic result has been derived [Physical Review Letters 79:1142-1145 (1997)] for use in these more complex and more realistic problems in rock mechanics analysis. Descriptions of the application of this result as the starting point for new methods of estimation are presented, including generalizations of the coherent potential approximation (CPA), differential effective medium (DEM) theory, and two explicit schemes. Results are presented for estimating drained shear and bulk modulus, the Biot-Willis parameter, and Skempton's coefficient. Three of the methods considered appear to be quite reliable estimators, while one of the explicit schemes is found to have some undesirable characteristics.« less

Rotational elasticity

NASA Astrophysics Data System (ADS)

Vassiliev, Dmitri

2017-04-01

We consider an infinite three-dimensional elastic continuum whose material points experience no displacements, only rotations. This framework is a special case of the Cosserat theory of elasticity. Rotations of material points are described mathematically by attaching to each geometric point an orthonormal basis that gives a field of orthonormal bases called the coframe. As the dynamical variables (unknowns) of our theory, we choose the coframe and a density. We write down the general dynamic variational functional for our rotational theory of elasticity, assuming our material to be physically linear but the kinematic model geometrically nonlinear. Allowing geometric nonlinearity is natural when dealing with rotations because rotations in dimension three are inherently nonlinear (rotations about different axes do not commute) and because there is no reason to exclude from our study large rotations such as full turns. The main result of the talk is an explicit construction of a class of time-dependent solutions that we call plane wave solutions; these are travelling waves of rotations. The existence of such explicit closed-form solutions is a non-trivial fact given that our system of Euler-Lagrange equations is highly nonlinear. We also consider a special case of our rotational theory of elasticity which in the stationary setting (harmonic time dependence and arbitrary dependence on spatial coordinates) turns out to be equivalent to a pair of massless Dirac equations. The talk is based on the paper [1]. [1] C.G.Boehmer, R.J.Downes and D.Vassiliev, Rotational elasticity, Quarterly Journal of Mechanics and Applied Mathematics, 2011, vol. 64, p. 415-439. The paper is a heavily revised version of preprint https://arxiv.org/abs/1008.3833

Proceedings of the Air Force Conference on Fatigue and Fracture of Aircraft Structures and Materials Held at Miami Beach, Florida on 15-18 December 1969

DTIC Science & Technology

1970-12-01

a Circular Hole A.S. Kobayashi and D.E. Maiden 217 Fatigue Performance of High Strength An Effective Strain Concept for Steels as Related to Their a ...in AFLC Col. H.B. Morrison, Jr. 899 Results of Analysis, Fatigue Testing and Usage of a High Speed Aircraft Subjected to Combined Peacetime and High ...on the level of the in a recent study of the fatigue performance of some stable elastic limit that can be produced by dislocation pin- high yield

An Alternative Three-Term Decomposition for Single Crystal Deformation Motivated by Non-Linear Elastic Dislocation Solutions

DTIC Science & Technology

2014-04-01

yet fully passed through. This element is free from traction along its external surface , and thus is in a state of self stress. The remainder of...neighbours so that it too is in a state of self stress. External boundaries of the entire slab are also necessarily traction free in this global intermediate...N ⊗ u)dS = 12V0 ∫ [∇u+ (∇u)T]dV0 must vanish in a domain with uniform material properties that is in a state of self stress (that is, a homogeneous

Avalanches and plasticity for colloids in a time dependent optical trap

DOE PAGES

Olson Reichhardt, Cynthia Jane; McDermott, Danielle Marie; Reichhardt, Charles

2015-08-25

Here, with the use of optical traps it is possible to confine assemblies of colloidal particles in two-dimensional and quasi-one-dimensional arrays. Here we examine how colloidal particles rearrange in a quasi-one-dimensional trap with a time dependent confining potential. The particle motion occurs both through slow elastic uniaxial distortions as well as through abrupt large-scale two-dimensional avalanches associated with plastic rearrangements. During the avalanches the particle velocity distributions extend over a broad range and can be fit to a power law consistent with other studies of plastic events mediated by dislocations.

A numerical homogenization method for heterogeneous, anisotropic elastic media based on multiscale theory

DOE PAGES

Gao, Kai; Chung, Eric T.; Gibson, Richard L.; ...

2015-06-05

The development of reliable methods for upscaling fine scale models of elastic media has long been an important topic for rock physics and applied seismology. Several effective medium theories have been developed to provide elastic parameters for materials such as finely layered media or randomly oriented or aligned fractures. In such cases, the analytic solutions for upscaled properties can be used for accurate prediction of wave propagation. However, such theories cannot be applied directly to homogenize elastic media with more complex, arbitrary spatial heterogeneity. We therefore propose a numerical homogenization algorithm based on multiscale finite element methods for simulating elasticmore » wave propagation in heterogeneous, anisotropic elastic media. Specifically, our method used multiscale basis functions obtained from a local linear elasticity problem with appropriately defined boundary conditions. Homogenized, effective medium parameters were then computed using these basis functions, and the approach applied a numerical discretization that is similar to the rotated staggered-grid finite difference scheme. Comparisons of the results from our method and from conventional, analytical approaches for finely layered media showed that the homogenization reliably estimated elastic parameters for this simple geometry. Additional tests examined anisotropic models with arbitrary spatial heterogeneity where the average size of the heterogeneities ranged from several centimeters to several meters, and the ratio between the dominant wavelength and the average size of the arbitrary heterogeneities ranged from 10 to 100. Comparisons to finite-difference simulations proved that the numerical homogenization was equally accurate for these complex cases.« less

Polarized electron beams elastically scattered by atoms as a tool for testing fundamental predictions of quantum mechanics.

PubMed

Dapor, Maurizio

2018-03-29

Quantum information theory deals with quantum noise in order to protect physical quantum bits (qubits) from its effects. A single electron is an emblematic example of a qubit, and today it is possible to experimentally produce polarized ensembles of electrons. In this paper, the theory of the polarization of electron beams elastically scattered by atoms is briefly summarized. Then the POLARe program suite, a set of computer programs aimed at the calculation of the spin-polarization parameters of electron beams elastically interacting with atomic targets, is described. Selected results of the program concerning Ar, Kr, and Xe atoms are presented together with the comparison with experimental data about the Sherman function for low kinetic energy of the incident electrons (1.5eV-350eV). It is demonstrated that the quantum-relativistic theory of the polarization of electron beams elastically scattered by atoms is in good agreement with experimental data down to energies smaller than a few eV.

On some problems in a theory of thermally and mechanically interacting continuous media. Ph.D. Thesis; [linearized theory of interacting mixture of elastic solid and viscous fluid

NASA Technical Reports Server (NTRS)

Lee, Y. M.

1971-01-01

Using a linearized theory of thermally and mechanically interacting mixture of linear elastic solid and viscous fluid, we derive a fundamental relation in an integral form called a reciprocity relation. This reciprocity relation relates the solution of one initial-boundary value problem with a given set of initial and boundary data to the solution of a second initial-boundary value problem corresponding to a different initial and boundary data for a given interacting mixture. From this general integral relation, reciprocity relations are derived for a heat-conducting linear elastic solid, and for a heat-conducting viscous fluid. An initial-boundary value problem is posed and solved for the mixture of linear elastic solid and viscous fluid. With the aid of the Laplace transform and the contour integration, a real integral representation for the displacement of the solid constituent is obtained as one of the principal results of the analysis.

Slip Morphology of Elastic Strips on Frictional Rigid Substrates.

PubMed

Sano, Tomohiko G; Yamaguchi, Tetsuo; Wada, Hirofumi

2017-04-28

The morphology of an elastic strip subject to vertical compressive stress on a frictional rigid substrate is investigated by a combination of theory and experiment. We find a rich variety of morphologies, which-when the bending elasticity dominates over the effect of gravity-are classified into three distinct types of states: pinned, partially slipped, and completely slipped, depending on the magnitude of the vertical strain and the coefficient of static friction. We develop a theory of elastica under mixed clamped-hinged boundary conditions combined with the Coulomb-Amontons friction law and find excellent quantitative agreement with simulations and controlled physical experiments. We also discuss the effect of gravity in order to bridge the difference in the qualitative behaviors of stiff strips and flexible strings or ropes. Our study thus complements recent work on elastic rope coiling and takes a significant step towards establishing a unified understanding of how a thin elastic object interacts vertically with a solid surface.

Peeling without precursors

NASA Astrophysics Data System (ADS)

Lister, John; Skinner, Dominic; Large, Tim

2017-11-01

The peeling by fluid injection of an elastic sheet away from a substrate is often regularised by invoking a thin prewetting film or a low-viscosity phase in the tip. Here we analyse fluid-driven peeling without such precursors, and consider an elastic sheet either bonded to, or simply laid on, an elastic substrate. To resolve the `elastic contact-line problem' that arises from viscous flow and beam theory, we determine the near-tip behaviour from lubrication theory coupled to the full equations of elasticity and fracture. The result is a law for the tip propagation speed in terms of the remote loading and the toughness of the sheet-substrate bonding (which might be zero). There are distinct modes of failure, according to whether there is slip ahead of the fluid front. The propagation-speed law gives rise to new similarity solutions for the spread of a fluid-filled blister in different regimes.

Nonclassical models of the theory of plates and shells

NASA Astrophysics Data System (ADS)

Annin, Boris D.; Volchkov, Yuri M.

2017-11-01

Publications dealing with the study of methods of reducing a three-dimensional problem of the elasticity theory to a two-dimensional problem of the theory of plates and shells are reviewed. Two approaches are considered: the use of kinematic and force hypotheses and expansion of solutions of the three-dimensional elasticity theory in terms of the complete system of functions. Papers where a three-dimensional problem is reduced to a two-dimensional problem with the use of several approximations of each of the unknown functions (stresses and displacements) by segments of the Legendre polynomials are also reviewed.

Theory of liquid crystal elastomers and polymer networks : Connection between neoclassical theory and differential geometry.

PubMed

Nguyen, Thanh-Son; Selinger, Jonathan V

2017-09-01

In liquid crystal elastomers and polymer networks, the orientational order of liquid crystals is coupled with elastic distortions of crosslinked polymers. Previous theoretical research has described these materials through two different approaches: a neoclassical theory based on the liquid crystal director and the deformation gradient tensor, and a geometric elasticity theory based on the difference between the actual metric tensor and a reference metric. Here, we connect those two approaches using a formalism based on differential geometry. Through this connection, we determine how both the director and the geometry respond to a change of temperature.

Lubrication of dislocation glide in MgO by hydrous defects

NASA Astrophysics Data System (ADS)

Skelton, Richard; Walker, Andrew M.

2018-02-01

Water-related defects, principally in the form of protonated cation vacancies, are potentially able to weaken minerals under high-stress or low-temperature conditions by reducing the Peierls stress required to initiate dislocation glide. In this study, we use the Peierls-Nabarro (PN) model to determine the effect of protonated Mg vacancies on the 1/2<110>{110} and 1/2<110>{100} slip systems in MgO. This PN model is parameterized using generalized stacking fault energies calculated using plane-wave density functional theory, with and without protonated Mg vacancies present at the glide plane. It found that these defects increase dislocation core widths and reduce the Peierls stress over the entire pressure range 0-125 GPa. Furthermore, 1/2<110>{110} slip is found to be more sensitive to the presence of protonated vacancies which increases in the pressure at which {100} becomes the easy glide plane for 1/2<110> screw dislocations. These results demonstrate, for a simple mineral system, that water-related defects can alter the deformation behavior of minerals in the glide-creep regime by reducing the stress required to move dislocations by glide. (Mg, Fe)O is the most anisotropic mineral in the Earth's lower mantle, so the differential sensitivity of the major slip systems in MgO to hydrous defects has potential implications for the interpretation of the seismic anisotropy in this region.

Scattering of phonons by dislocations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anderson, A. C.

1979-01-01

By 1950, an explicit effort had been launched to use lattice thermal conductivity measurements in the investigation of defect structures in solids. This technique has been highly successful, especially when combined with the measurements of other properties such as optical absorption. One exception has been the study of dislocations. Although dislocations have a profound effect on the phonon thermal conductivity, the mechanisms of the phonon-dislocation interaction are poorly understood. The most basic questions are still debated in the literature. It therefore is pointless to attempt a quantitative comparison between an extensive accumulation of experimental data on the one hand, andmore » the numerous theoretical models on the other. Instead, this chapter will attempt to glean a few qualitative conclusions from the existing experimental data. These results will then be compared with two general models which incorporate, in a qualitative manner, most of the proposed theories of the phonon-dislocation interaction. Until very recently, measurement of thermal conductivity was the only means available to probe the interaction between phonons and defects at phonon frequencies above the standard ultrasonic range of approx. = 10/sup 9/ Hz. The introductory paragraphs provide a brief review of the thermal-conductivity technique and the problems which are encountered in practice. There is also a brief presentation of the theoretical models and the complications that may occur in more realistic situations.« less

Dislocation model for aseismic fault slip in the transverse ranges of Southern California

NASA Technical Reports Server (NTRS)

Cheng, A.; Jackson, D. D.; Matsuura, M.

1985-01-01

Geodetic data at a plate boundary can reveal the pattern of subsurface displacements that accompany plate motion. These displacements are modelled as the sum of rigid block motion and the elastic effects of frictional interaction between blocks. The frictional interactions are represented by uniform dislocation on each of several rectangular fault patches. The block velocities and fault parameters are then estimated from geodetic data. Bayesian inversion procedure employs prior estimates based on geological and seismological data. The method is applied to the Transverse Ranges, using prior geological and seismological data and geodetic data from the USGS trilateration networks. Geodetic data imply a displacement rate of about 20 mm/yr across the San Andreas Fault, while the geologic estimates exceed 30 mm/yr. The prior model and the final estimates both imply about 10 mm/yr crustal shortening normal to the trend of the San Andreas Fault. Aseismic fault motion is a major contributor to plate motion. The geodetic data can help to identify faults that are suffering rapid stress accumulation; in the Transverse Ranges those faults are the San Andreas and the Santa Susana.

Modeling the nonlinear hysteretic response in DAE experiments of Berea sandstone: A case-study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pecorari, Claudio, E-mail: claudio.pecorari@hotmail.com

2015-03-31

Dynamic acousto-elasticity (DAE) allows probing the instantaneous state of a material while the latter slowly and periodically is changed by an external, dynamic source. In DAE investigations of geo-materials, hysteresis of the material's modulus defect displays intriguing features which have not yet been interpreted in terms of any specific mechanism occurring at atomic or mesoscale. Here, experimental results on dry Berea sandstone, which is the rock type best investigated by means of a DAE technique, are analyzed in terms of three rheological models providing simplified representations of mechanisms involving dislocations interacting with point defects which are distributed along the dislocations'more » core or glide planes, and microcracks with finite stiffness in compression. Constitutive relations linking macroscopic strain and stress are derived. From the latter, the modulus defect associated to each mechanism is recovered. These models are employed to construct a composite one which is capable of reproducing several of the main features observed in the experimental data. The limitations of the present approach and, possibly, of the current implementation of DAE are discussed.« less

Mechanical Behaviour of Light Metal Alloys at High Strain Rates. Computer Simulation on Mesoscale Levels

NASA Astrophysics Data System (ADS)

Skripnyak, Vladimir; Skripnyak, Evgeniya; Meyer, Lothar W.; Herzig, Norman; Skripnyak, Nataliya

2012-02-01

Researches of the last years have allowed to establish that the laws of deformation and fracture of bulk ultrafine-grained and coarse-grained materials are various both in static and in dynamic loading conditions. Development of adequate constitutive equations for the description of mechanical behavior of bulk ultrafine-grained materials at intensive dynamic influences is complicated in consequence of insufficient knowledge about general rules of inelastic deformation and nucleation and growth of cracks. Multi-scale computational model was used for the investigation of deformation and fracture of bulk structured aluminum and magnesium alloys under stress pulse loadings on mesoscale level. The increment of plastic deformation is defined by the sum of the increments caused by a nucleation and gliding of dislocations, the twinning, meso-blocks movement, and grain boundary sliding. The model takes into account the influence on mechanical properties of alloys an average grains size, grain sizes distribution of and concentration of precipitates. It was obtained the nucleation and gliding of dislocations caused the high attenuation rate of the elastic precursor of ultrafine-grained alloys than in coarse grained counterparts.

The Earth isn't flat: The (large) influence of topography on geodetic fault slip imaging.

NASA Astrophysics Data System (ADS)

Thompson, T. B.; Meade, B. J.

2017-12-01

While earthquakes both occur near and generate steep topography, most geodetic slip inversions assume that the Earth's surface is flat. We have developed a new boundary element tool, Tectosaur, with the capability to study fault and earthquake problems including complex fault system geometries, topography, material property contrasts, and millions of elements. Using Tectosaur, we study the model error induced by neglecting topography in both idealized synthetic fault models and for the cases of the MW=7.3 Landers and MW=8.0 Wenchuan earthquakes. Near the steepest topography, we find the use of flat Earth dislocation models may induce errors of more than 100% in the inferred slip magnitude and rake. In particular, neglecting topographic effects leads to an inferred shallow slip deficit. Thus, we propose that the shallow slip deficit observed in several earthquakes may be an artefact resulting from the systematic use of elastic dislocation models assuming a flat Earth. Finally, using this study as an example, we emphasize the dangerous potential for forward model errors to be amplified by an order of magnitude in inverse problems.

A comparison of the uniaxial deformation of copper and nickel (1 1 19) surfaces: a molecular dynamics study

PubMed Central

Pukšič, Nuša; Jenko, Monika; Godec, Matjaž; McGuiness, Paul J.

2017-01-01

While a lot is known about the deformation of metallic surfaces from experiments, elasticity theory and simulations, this investigation represents the first molecular-dynamics-based simulation of uniaxial deformation for the vicinal surfaces in a comparison of copper and nickel. These vicinal surfaces are composed of terraces divided by equidistant, mono-atomic steps. The periodicity of vicinals makes them good candidates for the study of the surface steps’ influences on surface dynamics. The simulations of tensile and compressive uniaxial deformations were performed for the (1 1 19) vicinal surfaces. Since the steps on the surfaces serve as stress concentrators, the first defects were expected to nucleate here. In the case of copper, this was found to be the case. In the case of nickel, however, dislocations nucleated beneath the near-surface layer affected by the displacement field generated by the steps. Slip was hindered at the surface step by the vortex in the displacement field. The differences in the deformation mechanisms for the Ni(1 1 19) and Cu(1 1 19) surfaces can be linked to the differences in their displacement fields. This could lead to novel bottom-up approaches to the nanostructuring of surfaces using strain. PMID:28169377

The energy-release rate and “self-force” of dynamically expanding spherical and plane inclusion boundaries with dilatational eigenstrain

NASA Astrophysics Data System (ADS)

Markenscoff, Xanthippi; Ni, Luqun

2010-01-01

In the context of the linear theory of elasticity with eigenstrains, the radiated field including inertia effects of a spherical inclusion with dilatational eigenstrain radially expanding is obtained on the basis of the dynamic Green's function, and one of the half-space inclusion boundary (with dilatational eigenstrain) moving from rest in general subsonic motion is obtained by a limiting process from the spherically expanding inclusion as the radius tends to infinity while the eigenstrain remains constrained, and this is the minimum energy solution. The global energy-release rate required to move the plane inclusion boundary and to create an incremental region of eigenstrain is defined analogously to the one for moving cracks and dislocations and represents the mechanical rate of work needed to be provide for the expansion of the inclusion. The calculated value, which is the "self-force" of the expanding inclusion, has a static component plus a dynamic one depending only on the current value of the velocity, while in the case of the spherical boundary, there is an additional contribution accounting for the jump in the strain at the farthest part at the back of the inclusion having the time to reach the front boundary, thus making the dynamic "self-force" history dependent.

Elasticity of smectic liquid crystals with in-plane orientational order and dispiration asymmetry

NASA Astrophysics Data System (ADS)

Alageshan, Jaya Kumar; Chakrabarti, Buddhapriya; Hatwalne, Yashodhan

2017-02-01

The Nelson-Peliti formulation of the elasticity theory of isolated fluid membranes with orientational order emphasizes the interplay between geometry, topology, and thermal fluctuations. Fluid layers of lamellar liquid crystals such as smectic-C , hexatic smectics, and smectic-C* are endowed with in-plane orientational order. We extend the Nelson-Peliti formulation so as to bring these smectics within its ambit. Using the elasticity theory of smectics-C*, we show that positive and negative dispirations (topological defects in Smectic-C* liquid crystals) with strengths of equal magnitude have disparate energies—a result that is amenable to experimental tests.

Elasticity and Fluctuations of Frustrated Nanoribbons

NASA Astrophysics Data System (ADS)

Grossman, Doron; Sharon, Eran; Diamant, Haim

2016-06-01

We derive a reduced quasi-one-dimensional theory of geometrically frustrated elastic ribbons. Expressed in terms of geometric properties alone, it applies to ribbons over a wide range of scales, allowing the study of their elastic equilibrium, as well as thermal fluctuations. We use the theory to account for the twisted-to-helical transition of ribbons with spontaneous negative curvature and the effect of fluctuations on the corresponding critical exponents. The persistence length of such ribbons changes nonmonotonically with the ribbon's width, dropping to zero at the transition. This and other statistical properties qualitatively differ from those of nonfrustrated fluctuating filaments.

Pressure Solution Creep and Textural Softening in Greenschist Facies Phyllonites

NASA Astrophysics Data System (ADS)

Wintsch, R. P.; Attenoukon, M.; Kunk, M. J.; McAleer, R. J.; Wathen, B.; Yi, D.

2016-12-01

We have found evidence for dissolution-precipitation creep (DPC) in phyllites and phyllonites naturally deformed at greenschist facies conditions. Since the experiments of Kronenberg et al. (1990) and Mares and Kronenberg (1993) micas are known to be among the weakest of rock-forming minerals. They deform by dislocation glide in their basal plane and when these micas are aligned and contiguous in an orientation favorable for glide they tend to localize strain into shear zones. Therefore, these closed-system experiments suggest that dislocation glide should be the dominant deformation mechanism in mica-rich shear zones from near surface through greenschist facies conditions. In contrast, in naturally deformed rocks we have found strong textural and chemical evidence that micas deform by dissolution-precipitation creep in phyllites at upper and lower greenschist facies conditions. In the Littleton Formation (N.H.) we find retrograde muscovite (pg5)-rich folia (Sn) truncating amphibolite facies Na-rich muscovite and biotite grains that define earlier foliations. Na-rich muscovite grains are also selectively replaced along crenulation axes and boudin necks where plastic and elastic strain are highest. In biotite grade regional metamorphic rocks in the Tananao schist of Taiwan muscovite-rich folia (Sn) truncate crenulated muscovite-biotite schists at high angles. In still lower (chlorite) grade phyllonitic fault zones marking terrane boundaries in southern New England (East Derby shear zone) and in Taiwan (Daugan shear zone) crenulated older fabrics are cut by new undeformed muscovite grains in chlorite-free planar folia. Further evidence for recrystallization rather than dislocation glide comes from the 40Ar/39Ar ages of muscovite in the new Sn folia younger than the age of the truncated folia. The younger ages in each case demonstrate that recrystallization was activated at lower shear stresses than dislocation glide, and that the recrystallization occurred at lower greenschist facies conditions below the closure temperature for diffusion of argon in muscovite. The increase in muscovite/chlorite ratios and change in microchemistry of Sn muscovite, the truncating microstructures, and isotopic results are all incompatible with deformation by dislocation creep.

Deformation Behavior of Al/a-Si Core-shell Nanostructures

NASA Astrophysics Data System (ADS)

Fleming, Robert

Al/a-Si core-shell nanostructures (CSNs), consisting of a hemispherical Al core surrounded by a hard shell of a-Si, have been shown to display unusual mechanical behavior in response to compression loading. Most notably, these nanostructures exhibit substantial deformation recovery, even when loaded much beyond the elastic limit. Nanoindentation measurements revealed a unique mechanical response characterized by discontinuous signatures in the load-displacement data. In conjunction with the indentation signatures, nearly complete deformation recovery is observed. This behavior is attributed to dislocation nucleation and annihilation events enabled by the 3-dimensional confinement of the Al core. As the core confinement is reduced, either through an increase in confined core volume or a change in the geometrical confinement, the indentation signatures and deformation resistance are significantly reduced. Complimentary molecular dynamics simulations show that a substantial amount of dislocation egression occurs in the core of CSNs during unloading as dislocations annihilate at the core/shell interface. Smaller core diameters correlate with the development of a larger back-stress within the core during unloading, which further correlates with improved dislocation annihilation after unloading. Furthermore, dislocations nucleated in the core of core-shell nanorods are not as effectively removed as compared to CSNs. Nanostructure-textured surfaces (NSTSs) composed of Al/a-Si CSNs have improved tribological properties compared surfaces patterned with Al nanodots and a flat (100) Si surface. NSTSs have a coefficient of friction (COF) as low as 0.015, exhibit low adhesion with adhesion forces on the order of less than 1 microN, and are highly deformation resistant, with no apparent surface deformation after nanoscratch testing, even at contact forces up to 8000 microN. In comparison, (100) Si has substantially higher adhesion and COF ( 10 microN and 0.062, respectively), while the Al nanodots have both higher friction (COF 0.044) and are deformed when subjected to contact loads as low as 250 microN. This integrated experimental and computational study elucidates the mechanisms that contribute to the novel properties of Al/a-Si CSNs and characterizes the tribological properties of surface composed of these nanostructures, which provides a foundation for the rational design of novel technologies based on CSNs.

Metal viscoplasticity with two-temperature thermodynamics and two dislocation densities

NASA Astrophysics Data System (ADS)

Roy Chowdhury, Shubhankar; Kar, Gurudas; Roy, Debasish; Reddy, J. N.

2018-03-01

Posed within the two-temperature theory of non-equilibrium thermodynamics, we propose a model for thermoviscoplastic deformation in metals. We incorporate the dynamics of dislocation densities-mobile and forest—that play the role of internal state variables in the formulation. The description based on two temperatures appears naturally when one recognizes that the thermodynamic system undergoing viscoplastic deformation is composed of two weakly interacting subsystems, viz. a kinetic-vibrational subsystem of the vibrating atomic lattices and a configurational subsystem of the slower degrees of freedom relating to defect motion, each with its own temperature. Starting with a basic model that involves only homogeneous deformation, a three-dimensional model for inhomogeneous viscoplasticity applicable to finite deformation is charted out in an overstress driven viscoplastic deformation framework. The model shows how the coupled evolutions of mobile and forest dislocation densities, which are critically influenced by the dynamics of configurational temperature, govern the strength and ductility of the metal. Unlike most contemporary models, the current proposal also affords a prediction of certain finer details as observed in the experimental data on stress-strain behaviour of metals and this in turn enhances the understanding of the evolving and interacting dislocation densities.

Modeling the Role of Dislocation Substructure During Class M and Exponential Creep. Revised

NASA Technical Reports Server (NTRS)

Raj, S. V.; Iskovitz, Ilana Seiden; Freed, A. D.

1995-01-01

The different substructures that form in the power-law and exponential creep regimes for single phase crystalline materials under various conditions of stress, temperature and strain are reviewed. The microstructure is correlated both qualitatively and quantitatively with power-law and exponential creep as well as with steady state and non-steady state deformation behavior. These observations suggest that creep is influenced by a complex interaction between several elements of the microstructure, such as dislocations, cells and subgrains. The stability of the creep substructure is examined in both of these creep regimes during stress and temperature change experiments. These observations are rationalized on the basis of a phenomenological model, where normal primary creep is interpreted as a series of constant structure exponential creep rate-stress relationships. The implications of this viewpoint on the magnitude of the stress exponent and steady state behavior are discussed. A theory is developed to predict the macroscopic creep behavior of a single phase material using quantitative microstructural data. In this technique the thermally activated deformation mechanisms proposed by dislocation physics are interlinked with a previously developed multiphase, three-dimensional. dislocation substructure creep model. This procedure leads to several coupled differential equations interrelating macroscopic creep plasticity with microstructural evolution.

Forecasting Low-Cycle Fatigue Performance of Twinning-Induced Plasticity Steels: Difficulty and Attempt

NASA Astrophysics Data System (ADS)

Shao, C. W.; Zhang, P.; Zhang, Z. J.; Liu, R.; Zhang, Z. F.

2017-12-01

We find the existing empirical relations based on monotonic tensile properties and/or hardness cannot satisfactorily predict the low-cycle fatigue (LCF) performance of materials, especially for twinning-induced plasticity (TWIP) steels. Given this, we first identified the different deformation mechanisms under monotonic and cyclic deformation after a comprehensive study of stress-strain behaviors and microstructure evolutions for Fe-Mn-C alloys during tension and LCF, respectively. It is found that the good tensile properties of TWIP steel mainly originate from the large activation of multiple twinning systems, which may be attributed to the grain rotation during tensile deformation; while its LCF performance depends more on the dislocation slip mode, in addition to its strength and plasticity. Based on this, we further investigate the essential relations between microscopic damage mechanism (dislocation-dislocation interaction) and cyclic stress response, and propose a hysteresis loop model based on dislocation annihilation theory, trying to quickly assess the LCF resistance of Fe-Mn-C steels as well as other engineering materials. It is suggested that the hysteresis loop and its evolution can provide significant information on cyclic deformation behavior, e.g., (point) defect multiplication and vacancy aggregation, which may help estimate the LCF properties.

Importance of elastic finite-size effects: Neutral defects in ionic compounds

DOE PAGES

Burr, P. A.; Cooper, M. W. D.

2017-09-15

Small system sizes are a well known source of error in DFT calculations, yet computational constraints frequently dictate the use of small supercells, often as small as 96 atoms in oxides and compound semiconductors. In ionic compounds, electrostatic finite size effects have been well characterised, but self-interaction of charge neutral defects is often discounted or assumed to follow an asymptotic behaviour and thus easily corrected with linear elastic theory. Here we show that elastic effect are also important in the description of defects in ionic compounds and can lead to qualitatively incorrect conclusions if inadequatly small supercells are used; moreover,more » the spurious self-interaction does not follow the behaviour predicted by linear elastic theory. Considering the exemplar cases of metal oxides with fluorite structure, we show that numerous previous studies, employing 96-atom supercells, misidentify the ground state structure of (charge neutral) Schottky defects. We show that the error is eliminated by employing larger cells (324, 768 and 1500 atoms), and careful analysis determines that elastic effects, not electrostatic, are responsible. The spurious self-interaction was also observed in non-oxide ionic compounds and irrespective of the computational method used, thereby resolving long standing discrepancies between DFT and force-field methods, previously attributed to the level of theory. The surprising magnitude of the elastic effects are a cautionary tale for defect calculations in ionic materials, particularly when employing computationally expensive methods (e.g. hybrid functionals) or when modelling large defect clusters. We propose two computationally practicable methods to test the magnitude of the elastic self-interaction in any ionic system. In commonly studies oxides, where electrostatic effects would be expected to be dominant, it is the elastic effects that dictate the need for larger supercells | greater than 96 atoms.« less

Importance of elastic finite-size effects: Neutral defects in ionic compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burr, P. A.; Cooper, M. W. D.

Small system sizes are a well known source of error in DFT calculations, yet computational constraints frequently dictate the use of small supercells, often as small as 96 atoms in oxides and compound semiconductors. In ionic compounds, electrostatic finite size effects have been well characterised, but self-interaction of charge neutral defects is often discounted or assumed to follow an asymptotic behaviour and thus easily corrected with linear elastic theory. Here we show that elastic effect are also important in the description of defects in ionic compounds and can lead to qualitatively incorrect conclusions if inadequatly small supercells are used; moreover,more » the spurious self-interaction does not follow the behaviour predicted by linear elastic theory. Considering the exemplar cases of metal oxides with fluorite structure, we show that numerous previous studies, employing 96-atom supercells, misidentify the ground state structure of (charge neutral) Schottky defects. We show that the error is eliminated by employing larger cells (324, 768 and 1500 atoms), and careful analysis determines that elastic effects, not electrostatic, are responsible. The spurious self-interaction was also observed in non-oxide ionic compounds and irrespective of the computational method used, thereby resolving long standing discrepancies between DFT and force-field methods, previously attributed to the level of theory. The surprising magnitude of the elastic effects are a cautionary tale for defect calculations in ionic materials, particularly when employing computationally expensive methods (e.g. hybrid functionals) or when modelling large defect clusters. We propose two computationally practicable methods to test the magnitude of the elastic self-interaction in any ionic system. In commonly studies oxides, where electrostatic effects would be expected to be dominant, it is the elastic effects that dictate the need for larger supercells | greater than 96 atoms.« less

Origins of anisotropic seismic attenuation of the inner core - intrinsic anelasticity of hcp iron alloy

NASA Astrophysics Data System (ADS)

Redfern, Simon

2015-04-01

Earth's inner core is elastically anisotropic, with seismology showing faster wave propagation along the polar axis compared to the equatorial plane. Some inner core studies report anisotropic seismic attenuation. Attenuation of body-waves has, previously, been postulated to be due to scattering by anisotropic microstructure, but recent normal mode studies also show strong anisotropic attenuation (Mäkinen et al. 2014). This suggests that the anisotropic attenuation is a result of the intrinsic (and anisotropic) anelastic properties of the solid iron alloy forming Earth's inner core. Here, I consider the origins of inner core anisotropic attenuation. Possibilities include grain boundary relaxation, dislocation bowing/glide, or point defect (alloying element) relaxations. The inner core is an almost perfect environment for near-equilibrium crystallisation, with very low temperature gradients across the inner core, low gravity, and slow crystallisation rates. It is assumed that grain sizes may be of the order of hundreds of metres. This implies vanishingly small volumes of grain boundary, and insignificant grain boundary relaxation. The very high homologous temperature and the absence of obvious deviatoric stress, also leads one to conclude that dislocation densities are low. On the other hand, estimates for light element concentrations are of the order of a few % with O, S, Si, C and H at various times being suggested as candidate elements. Light element solutes in hcp metals contribute to intrinsic anelastic attenuation if they occur in sufficient concentrations to pair and form elastic dipoles. Switching of dipoles under the stress of a passing seismic wave will result in anelastic mechanical loss. Such attenuation has been measured in hcp metals in the lab, and is anisotropic due to the intrinsic elastic anisotropy of the host lattice. Such solute pair relaxations result in a "Zener effect", which is suggested here to be responsible for observed anisotropic seismic attenuation. Zener relaxation magnitude scales with solute concentration and is consistent with around 5% light element. Variations in attenuation are expected in a core with spatially varying concentrations of light element, and attenuation tomography of the inner core could, therefore, be employed to map chemical heterogeneity.

Intrinsic Aniostropic Anelasticity of Hcp Iron Due to Light Element Solute Atoms

NASA Astrophysics Data System (ADS)

Redfern, S. A. T.

2014-12-01

Earth's inner core is elastically anisotropic, with seismology showing faster wave propagation along the polar axis compared to the equatorial plane. Some inner core studies report anisotropic seismic attenuation. Attenuation of body-waves has, previously, been postulated to be due to scattering by anisotropic microstructure, but recent normal mode studies also show strong anisotropic attenuation (Mäkinen et al. 2014). This suggests that the anisotropic attenuation is a result of the intrinsic (and anisotropic) anelastic properties of the solid iron alloy forming Earth's inner core. Here, I consider the origins of inner core anisotropic attenuation. Possibilities include grain boundary relaxation, dislocation bowing/glide, or point defect (alloying element) relaxations. The inner core is an almost perfect environment for near-equilibrium crystallisation, with very low temperature gradients across the inner core, low gravity, and slow crystallisation rates. It is assumed that grain sizes may be of the order of hundreds of metres. This implies vanishingly small volumes of grain boundary, and insignificant grain boundary relaxation. The very high homologous temperature and the absence of obvious deviatoric stress, also leads one to conclude that dislocation densities are low. On the other hand, estimates for light element concentrations are of the order of a few % with O, S, Si, C and H at various times being suggested as candidate elements. Light element solutes in hcp metals contribute to intrinsic anelastic attenuation if they occur in sufficient concentrations to pair and form elastic dipoles. Switching of dipoles under the stress of a passing seismic wave will result in anelastic mechanical loss. Such attenuation has been measured in hcp metals in the lab, and is anisotropic due to the intrinsic elastic anisotropy of the host lattice. Such solute pair relaxations result in a "Zener effect", which is suggested here to be responsible for observed anisotropic seismic attenuation. Zener relaxation magnitude scales with solute concentrationand is consistent with around 5% loght element. Variations in attenuation are expected in a core with spatially varying concentrations of light element, and attenuation tomography of the inner core could, therefore, be employed to map chemical heterogeneity.

Reliability assessment of different plate theories for elastic wave propagation analysis in functionally graded plates.

PubMed

Mehrkash, Milad; Azhari, Mojtaba; Mirdamadi, Hamid Reza

2014-01-01

The importance of elastic wave propagation problem in plates arises from the application of ultrasonic elastic waves in non-destructive evaluation of plate-like structures. However, precise study and analysis of acoustic guided waves especially in non-homogeneous waveguides such as functionally graded plates are so complicated that exact elastodynamic methods are rarely employed in practical applications. Thus, the simple approximate plate theories have attracted much interest for the calculation of wave fields in FGM plates. Therefore, in the current research, the classical plate theory (CPT), first-order shear deformation theory (FSDT) and third-order shear deformation theory (TSDT) are used to obtain the transient responses of flexural waves in FGM plates subjected to transverse impulsive loadings. Moreover, comparing the results with those based on a well recognized hybrid numerical method (HNM), we examine the accuracy of the plate theories for several plates of various thicknesses under excitations of different frequencies. The material properties of the plate are assumed to vary across the plate thickness according to a simple power-law distribution in terms of volume fractions of constituents. In all analyses, spatial Fourier transform together with modal analysis are applied to compute displacement responses of the plates. A comparison of the results demonstrates the reliability ranges of the approximate plate theories for elastic wave propagation analysis in FGM plates. Furthermore, based on various examples, it is shown that whenever the plate theories are used within the appropriate ranges of plate thickness and frequency content, solution process in wave number-time domain based on modal analysis approach is not only sufficient but also efficient for finding the transient waveforms in FGM plates. Copyright © 2013 Elsevier B.V. All rights reserved.

A revised dislocation model of interseismic deformation of the Cascadia subduction zone

USGS Publications Warehouse

Wang, Kelin; Wells, Ray E.; Mazzotti, Stephane; Hyndman, Roy D.; Sagiya, Takeshi

2003-01-01

CAS3D‐2, a new three‐dimensional (3‐D) dislocation model, is developed to model interseismic deformation rates at the Cascadia subduction zone. The model is considered a snapshot description of the deformation field that changes with time. The effect of northward secular motion of the central and southern Cascadia forearc sliver is subtracted to obtain the effective convergence between the subducting plate and the forearc. Horizontal deformation data, including strain rates and surface velocities from Global Positioning System (GPS) measurements, provide primary geodetic constraints, but uplift rate data from tide gauges and leveling also provide important validations for the model. A locked zone, based on the results of previous thermal models constrained by heat flow observations, is located entirely offshore beneath the continental slope. Similar to previous dislocation models, an effective zone of downdip transition from locking to full slip is used, but the slip deficit rate is assumed to decrease exponentially with downdip distance. The exponential function resolves the problem of overpredicting coastal GPS velocities and underpredicting inland velocities by previous models that used a linear downdip transition. A wide effective transition zone (ETZ) partially accounts for stress relaxation in the mantle wedge that cannot be simulated by the elastic model. The pattern of coseismic deformation is expected to be different from that of interseismic deformation at present, 300 years after the last great subduction earthquake. The downdip transition from full rupture to no slip should take place over a much narrower zone.

Incompressible inelasticity as an essential ingredient for the validity of the kinematic decomposition F =FeFi

NASA Astrophysics Data System (ADS)

Reina, Celia; Conti, Sergio

2017-10-01

The multiplicative decomposition of the total deformation F =FeFi between an elastic (Fe) and an inelastic component (Fi) is standard in the modeling of many irreversible processes such as plasticity, growth, thermoelasticity, viscoelasticty or phase transformations. The heuristic argument for such kinematic assumption is based on the chain rule for the compatible scenario (CurlFi = 0) where the individual deformation tensors are gradients of deformation mappings, i.e. F = D φ = D (φe ∘φi) = (Dφe) ∘φi (Dφi) =FeFi . Yet, the conditions for its validity in the general incompatible case (CurlFi ≠ 0) has so far remained uncertain. We show in this paper that detFi = 1 and CurlFi bounded are necessary and sufficient conditions for the validity of F =FeFi for a wide range of inelastic processes. In particular, in the context of crystal plasticity, we demonstrate via rigorous homogenization from discrete dislocations to the continuum level in two dimensions, that the volume preserving property of the mechanistics of dislocation glide, combined with a finite dislocation density, is sufficient to deliver F =FeFp at the continuum scale. We then generalize this result to general two-dimensional inelastic processes that may be described at a lower dimensional scale via a multiplicative decomposition while exhibiting a finite density of incompatibilities. The necessity of the conditions detFi = 1 and CurlFi bounded for such systems is demonstrated via suitable counterexamples.

Dual mobility cups provide biomechanical advantages in situations at risk for dislocation: a finite element analysis.

PubMed

Terrier, Alexandre; Latypova, Adeliya; Guillemin, Maika; Parvex, Valérie; Guyen, Olivier

2017-03-01

Constrained devices, standard implants with large heads, and dual mobility systems have become popular options to manage instability after total hip arthroplasty (THA). Clinical results with these options have shown variable success rates and significant higher rates of aseptic loosening and mechanical failures with constrained implants. Literature suggests potential advantages of dual mobility, however little is known about its biomechanics. We present a comparative biomechanical study of a standard implant, a constrained implant, and a dual mobility system. A finite element analysis was developed to assess and compare these acetabular options with regard to the range of motion (ROM) to impingement, the angle of dislocation, the resistive torque, the volume of polyethylene (PE) with a stress above 80% of the elastic limit, and the interfacial cup/bone stress. Dual mobility implants provided the greatest ROM to impingement and allowed delaying subluxation and dislocation when compared to standard and constrained implants. Dual mobility also demonstrated the lowest resistive torque at subluxation while the constrained implant provided the greatest one. The lowest critical PE volume was observed with the dual mobility implant, and the highest stress at the interfaces was observed with the constrained implant. This study highlights the biomechanical advantages of dual mobility systems over constrained and standard implants, and is supported by the clinical results reported. Therefore, the use of dual mobility systems in situations at risk for instability should be advocated and constrained implants should be restricted to salvage situations.

Nucleation mechanisms of epitaxial GaN nanowires: Origin of their self-induced formation and initial radius

NASA Astrophysics Data System (ADS)

Consonni, V.; Knelangen, M.; Geelhaar, L.; Trampert, A.; Riechert, H.

2010-02-01

The formation mechanisms of epitaxial GaN nanowires grown within a self-induced approach by molecular-beam epitaxy have been investigated at the onset of the nucleation process by combining in situ reflection high-energy electron-diffraction measurements and ex situ high-resolution transmission electron microscopy imaging. It is shown that the self-induced growth of GaN nanowires on the AlN buffer layer is initially governed by the nucleation of dislocation-free coherent islands. These coherent islands develop through a series of shape transitions from spherical caps through truncated to full pyramids in order to elastically relieve the lattice-mismatch-induced strain. A strong correlation between the subsequent process of plastic relaxation and the final shape transition from full pyramids toward the very first nanowires is found. The experimental critical radius at which the misfit dislocation nucleates is in very good agreement with the theoretical critical radius for the formation of the misfit dislocation in full pyramids, showing that the plastic relaxation process does take place within full pyramids: this critical size corresponds to the initial radius of the very first nanowires. We associate the plastic relaxation of the lattice-mismatch-induced strain occurring within full pyramids with a drastic change in their total free energy: this gives rise to a driving force for the shape transition toward the very first nanowires, which is mainly due to the anisotropy of surface energy.

Assessing exchange-correlation functionals for elasticity and thermodynamics of α -ZrW2O8 : A density functional perturbation theory study

NASA Astrophysics Data System (ADS)

Weck, Philippe F.; Kim, Eunja; Greathouse, Jeffery A.; Gordon, Margaret E.; Bryan, Charles R.

2018-04-01

Elastic and thermodynamic properties of negative thermal expansion (NTE) α -ZrW2O8 have been calculated using PBEsol and PBE exchange-correlation functionals within the framework of density functional perturbation theory (DFPT). Measured elastic constants are reproduced within ∼ 2 % with PBEsol and ∼ 6 % with PBE. The thermal evolution of the Grüneisen parameter computed within the quasi-harmonic approximation exhibits negative values below the Debye temperature, consistent with observation. The standard molar heat capacity is predicted to be CP0 = 192.2 and 193.8 J mol-1K-1 with PBEsol and PBE, respectively. These results suggest superior accuracy of DFPT/PBEsol for studying the lattice dynamics, elasticity and thermodynamics of NTE materials.

Spacetime representation of topological phononics

NASA Astrophysics Data System (ADS)

Deymier, Pierre A.; Runge, Keith; Lucas, Pierre; Vasseur, Jérôme O.

2018-05-01

Non-conventional topology of elastic waves arises from breaking symmetry of phononic structures either intrinsically through internal resonances or extrinsically via application of external stimuli. We develop a spacetime representation based on twistor theory of an intrinsic topological elastic structure composed of a harmonic chain attached to a rigid substrate. Elastic waves in this structure obey the Klein–Gordon and Dirac equations and possesses spinorial character. We demonstrate the mapping between straight line trajectories of these elastic waves in spacetime and the twistor complex space. The twistor representation of these Dirac phonons is related to their topological and fermion-like properties. The second topological phononic structure is an extrinsic structure composed of a one-dimensional elastic medium subjected to a moving superlattice. We report an analogy between the elastic behavior of this time-dependent superlattice, the scalar quantum field theory and general relativity of two types of exotic particle excitations, namely temporal Dirac phonons and temporal ghost (tachyonic) phonons. These phonons live on separate sides of a two-dimensional frequency space and are delimited by ghost lines reminiscent of the conventional light cone. Both phonon types exhibit spinorial amplitudes that can be measured by mapping the particle behavior to the band structure of elastic waves.

Static stress changes associated with normal faulting earthquakes in South Balkan area

NASA Astrophysics Data System (ADS)

Papadimitriou, E.; Karakostas, V.; Tranos, M.; Ranguelov, B.; Gospodinov, D.

2007-10-01

Activation of major faults in Bulgaria and northern Greece presents significant seismic hazard because of their proximity to populated centers. The long recurrence intervals, of the order of several hundred years as suggested by previous investigations, imply that the twentieth century activation along the southern boundary of the sub-Balkan graben system, is probably associated with stress transfer among neighbouring faults or fault segments. Fault interaction is investigated through elastic stress transfer among strong main shocks ( M ≥ 6.0), and in three cases their foreshocks, which ruptured distinct or adjacent normal fault segments. We compute stress perturbations caused by earthquake dislocations in a homogeneous half-space. The stress change calculations were performed for faults of strike, dip, and rake appropriate to the strong events. We explore the interaction between normal faults in the study area by resolving changes of Coulomb failure function ( ΔCFF) since 1904 and hence the evolution of the stress field in the area during the last 100 years. Coulomb stress changes were calculated assuming that earthquakes can be modeled as static dislocations in an elastic half-space, and taking into account both the coseismic slip in strong earthquakes and the slow tectonic stress buildup associated with major fault segments. We evaluate if these stress changes brought a given strong earthquake closer to, or sent it farther from, failure. Our modeling results show that the generation of each strong event enhanced the Coulomb stress on along-strike neighbors and reduced the stress on parallel normal faults. We extend the stress calculations up to present and provide an assessment for future seismic hazard by identifying possible sites of impending strong earthquakes.

Geometry and mechanics of two-dimensional defects in amorphous materials

PubMed Central

Moshe, Michael; Levin, Ido; Aharoni, Hillel; Kupferman, Raz; Sharon, Eran

2015-01-01

We study the geometry of defects in amorphous materials and their elastic interactions. Defects are defined and characterized by deviations of the material’s intrinsic metric from a Euclidian metric. This characterization makes possible the identification of localized defects in amorphous materials, the formulation of a corresponding elastic problem, and its solution in various cases of physical interest. We present a multipole expansion that covers a large family of localized 2D defects. The dipole term, which represents a dislocation, is studied analytically and experimentally. Quadrupoles and higher multipoles correspond to fundamental strain-carrying entities. The interactions between those entities, as well as their interaction with external stress fields, are fundamental to the inelastic behavior of solids. We develop analytical tools to study those interactions. The model, methods, and results presented in this work are all relevant to the study of systems that involve a distribution of localized sources of strain. Examples are plasticity in amorphous materials and mechanical interactions between cells on a flexible substrate. PMID:26261331

The crack-inclusion interaction problem

NASA Technical Reports Server (NTRS)

Liu, X.-H.; Erdogan, F.

1986-01-01

The general plane elastostatic problem of interaction between a crack and an inclusion is considered. The Green's functions for a pair of dislocations and a pair of concentrated body forces are used to generate the crack and the inclusion. Integral equations are obtained for a line crack and an elastic line inclusion having an arbitrary relative orientation and size. The nature of stress singularity around the end points of rigid and elastic inclusions is described and three special cases of this intersection problem are studied. The problem is solved for an arbitrary uniform stress state away from the crack-inclusion region. The nonintersecting crack-inclusion problem is considered for various relative size, orientation, and stiffness parameters, and the stress intensity factors at the ends of the inclusion and the crack are calculated. For the crack-inclusion intersection case, special stress intensity factors are defined and are calculated for various values of the parameters defining the relative size and orientation of the crack and the inclusion and the stiffness of the inclusion.

The crack-inclusion interaction problem

NASA Technical Reports Server (NTRS)

Xue-Hui, L.; Erdogan, F.

1984-01-01

The general plane elastostatic problem of interaction between a crack and an inclusion is considered. The Green's functions for a pair of dislocations and a pair of concentrated body forces are used to generate the crack and the inclusion. Integral equations are obtained for a line crack and an elastic line inclusion having an arbitrary relative orientation and size. The nature of stress singularity around the end points of rigid and elastic inclusions is described and three special cases of this intersection problem are studied. The problem is solved for an arbitrary uniform stress state away from the crack-inclusion region. The nonintersecting crack-inclusion problem is considered for various relative size, orientation, and stiffness parameters, and the stress intensity factors at the ends of the inclusion and the crack are calculated. For the crack-inclusion intersection case, special stress intensity factors are defined and are calculated for various values of the parameters defining the relative size and orientation of the crack and the inclusion and the stiffness of the inclusion.

Measurements of strain at plate boundaries using space based geodetic techniques

NASA Technical Reports Server (NTRS)

Robaudo, Stefano; Harrison, Christopher G. A.

1993-01-01

We have used the space based geodetic techniques of Satellite Laser Ranging (SLR) and VLBI to study strain along subduction and transform plate boundaries and have interpreted the results using a simple elastic dislocation model. Six stations located behind island arcs were analyzed as representative of subduction zones while 13 sites located on either side of the San Andreas fault were used for the transcurrent zones. The length deformation scale was then calculated for both tectonic margins by fitting the relative strain to an exponentially decreasing function of distance from the plate boundary. Results show that space-based data for the transcurrent boundary along the San Andreas fault help to define better the deformation length scale in the area while fitting nicely the elastic half-space earth model. For subduction type bonndaries the analysis indicates that there is no single scale length which uniquely describes the deformation. This is mainly due to the difference in subduction characteristics for the different areas.

The mechanical properties of as-grown noncubic organic molecular crystals assessed by nanoindentation

DOE PAGES

Taw, Matthew R.; Yeager, John D.; Hooks, Daniel E.; ...

2017-06-19

Organic molecular crystals are often noncubic and contain significant steric hindrance within their structure to resist dislocation motion. Plastic deformation in these systems can be imparted during processing (tableting and comminution of powders), and the defect density impacts subsequent properties and performance. This paper measured the elastic and plastic properties of representative monoclinic, orthorhombic, and triclinic molecular crystalline structures using nanoindentation of as-grown sub-mm single crystals. The variation in modulus due to in-plane rotational orientation, relative to a Berkovich tip, was approximately equal to the variation of a given crystal at a fixed orientation. The onset of plasticity occurs consistentlymore » at shear stresses between 1 and 5% of the elastic modulus in all three crystal systems, and the hardness to modulus ratio suggests conventional Berkovich tips do not generate fully self-similar plastic zones in these materials. Finally, this provides guidance for mechanical models of tableting, machining, and property assessment of molecular crystals.« less

Marangoni and Gibbs elasticity of flowing soap films

NASA Astrophysics Data System (ADS)

Kim, Ildoo; Sane, Aakash; Mandre, Shreyas

2017-11-01

A flowing soap film has two elasticities. Marangoni elasticity dynamically stabilizes the film from sudden disturbance, and Gibbs elasticity is an equilibrium property that influences the film's persistence over time. In our experimental investigation, we find that Marangoni elasticity is 22 mN/m independent of the film thickness. On the other hand, Gibbs elasticity depends both on the film thickness and the soap concentration. Interestingly, the soap film made of dilute soap solution has the greater Gibbs elasticity, which is not consistent to the existing theory. Such discrepancy is originated from the flowing nature of our soap films, in which surfactants are continuously replenished.

Orientation dependence of grain-boundary energy in metals in the view of a pseudoheterophase dislocation core model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Missol, W.

A new dislocation model for symmetric tilt grain boundaries was developed as a basis for deriving the quantitative dependence of grain-boundary energy upon misorientation angle in the form of an expression similar to that given by Read and Shockley (Phys. Rev. 78: 275(1950)). The range of applicability of this equation was extended to over 20 degrees. A comparison of theory and experiment was made for Bi, Ag, Cu, and Fe--Si 3 percent in the teen-degree range of misorientation angles and for Au, ..cap alpha..-Fe, Mo, and W in the high-angle range.

Significance of third-order elasticity for determination of the pressure coefficient of the light emission in strained quantum wells

NASA Astrophysics Data System (ADS)

Łepkowski, S. P.

2008-10-01

We investigate the contribution arising from third-order elasticity to the pressure coefficient of the light emission (dEE/dP) in strained zinc-blende InGaAs/GaAs and InGaN/GaN quantum wells (QWs) grown in a (001) direction. In the framework of the third-order elasticity theory, we develop a model of pressure tuning of strains in these structures, which is then used to determine the coefficient dEE/dP . In the calculations of dEE/dP , we use a consistent set of the second- and third-order elastic constants which has been obtained from ab initio calculations. Our results indicate that the usage of third-order elasticity leads to significant reduction in dEE/dP in strained (001)-oriented InGaAs/GaAs and InGaN/GaN QWs, in comparison to the values of dEE/dP obtained by using the linear theory of elasticity. In the case of InGaAs/GaAs QWs, the values of dEE/dP calculated using third-order elasticity are in reasonable agreement with experimental data. For InGaN/GaN QWs, better agreement between theoretical and experimental values of dEE/dP is obtained when instead of third-order elasticity, pressure dependence of the second-order elastic constants is taken into account.

Elastic moduli of a smectic membrane: a rod-level scaling analysis

NASA Astrophysics Data System (ADS)

Wensink, H. H.; Morales Anda, L.

2018-02-01

Chiral rodlike colloids exposed to strong depletion attraction may self-assemble into chiral membranes whose twisted director field differs from that of a 3D bulk chiral nematic. We formulate a simple microscopic variational theory to determine the elastic moduli of rods assembled into a bidimensional smectic membrane. The approach is based on a simple Onsager-Straley theory for a non-uniform director field that we apply to describe rod twist within the membrane. A microscopic approach enables a detailed estimate of the individual Frank elastic moduli (splay, twist and bend) as well as the twist penetration depth of the smectic membrane in relation to the rod density and shape. We find that the elastic moduli are distinctly different from those of a bulk nematic fluid, with the splay elasticity being much stronger and the curvature elasticity much weaker than for rods assembled in a three-dimensional nematic fluid. We argue that the use of the simplistic one-constant approximation in which all moduli are assumed to be of equal magnitude is not appropriate for modelling the structure-property relation of smectic membranes.

Seismic transmission operator reciprocity - II: impedance-operator symmetry via elastic lateral modes

NASA Astrophysics Data System (ADS)

Thomson, C. J.

2015-08-01

The properties of the overburden transmission response are of particular interest for the analysis of reflectivity illumination or blurring in seismic depth imaging. The first step to showing a transmission-operator reciprocity property is to identify the symmetry of the so-called displacement-to-traction operators. The latter are analogous to Dirichlet-to-Neumann operators and they may also be called impedance operators. Their symmetry is deduced here after development of a formal spectral or modal theory of lateral wavefunctions in a laterally heterogeneous generally anisotropic elastic medium. The elastic lateral modes are displacement-traction 6-vectors and they are built from two auxiliary 3-vector lateral-mode bases. These auxiliary modes arise from Hermitian and anti-Hermitian operators, so they have familiar properties such as orthogonality. There is no assumption of down/up symmetry of the elasticity tensor, but basic assumptions are made about the existence and completeness of the elastic modes. A point-symmetry property appears and plays a central role. The 6-vector elastic modes have a symplectic orthogonality property, which facilitates the development of modal expansions for 6-vector functions of the lateral coordinates when completeness is assumed. While the elastic modal theory is consistent with the laterally homogeneous case, numerical work would provide confidence that it is correct in general. An appendix contains an introductory overview of acoustic lateral modes that were studied by other authors, given from the perspective of this new work. A distinction is drawn between unit normalization of scalar auxiliary modes and a separate energy-flux normalization of 2-vector acoustic modes. Neither is crucial to the form of acoustic pressure-to-velocity or impedance operators. This statement carries over to the elastic case for the 3-vector auxiliary- and 6-vector elastic-mode normalizations. The modal theory is used to construct the kernel of the elastic displacement-to-traction or impedance operator. Symmetry properties of this operator are then deduced, which is the main goal of this paper. The implications of elastic impedance-operator symmetry and the symplectic property for the transmission and reflection responses of finite regions are described in a companion paper.

Holographic Phonons

NASA Astrophysics Data System (ADS)

Alberte, Lasma; Ammon, Martin; Jiménez-Alba, Amadeo; Baggioli, Matteo; Pujolàs, Oriol

2018-04-01

We present a class of holographic massive gravity models that realize a spontaneous breaking of translational symmetry—they exhibit transverse phonon modes whose speed relates to the elastic shear modulus according to elasticity theory. Massive gravity theories thus emerge as versatile and convenient theories to model generic types of translational symmetry breaking: explicit, spontaneous, and a mixture of both. The nature of the breaking is encoded in the radial dependence of the graviton mass. As an application of the model, we compute the temperature dependence of the shear modulus and find that it features a glasslike melting transition.

Understanding of surface pit formation mechanism of GaN grown in MOCVD based on local thermodynamic equilibrium assumption

NASA Astrophysics Data System (ADS)

Zhi-Yuan, Gao; Xiao-Wei, Xue; Jiang-Jiang, Li; Xun, Wang; Yan-Hui, Xing; Bi-Feng, Cui; De-Shu, Zou

2016-06-01

Frank’s theory describes that a screw dislocation will produce a pit on the surface, and has been evidenced in many material systems including GaN. However, the size of the pit calculated from the theory deviates significantly from experimental result. Through a careful observation of the variations of surface pits and local surface morphology with growing temperature and V/III ratio for c-plane GaN, we believe that Frank’s model is valid only in a small local surface area where thermodynamic equilibrium state can be assumed to stay the same. If the kinetic process is too vigorous or too slow to reach a balance, the local equilibrium range will be too small for the center and edge of the screw dislocation spiral to be kept in the same equilibrium state. When the curvature at the center of the dislocation core reaches the critical value 1/r 0, at the edge of the spiral, the accelerating rate of the curvature may not fall to zero, so the pit cannot reach a stationary shape and will keep enlarging under the control of minimization of surface energy to result in a large-sized surface pit. Project supported by the National Natural Science Foundation of China (Grant Nos. 11204009 and 61204011) and the Beijing Municipal Natural Science Foundation, China (Grant No. 4142005).

The paradox of uranium development: A Polanyian analysis of social movements surrounding the Pinon Ridge Uranium Mill

NASA Astrophysics Data System (ADS)

Malin, Stephanie A.

Renewal of nuclear energy development has been proposed as one viable solution for reducing greenhouse gas emissions and impacts of climate change. This discussion became concrete as the first uranium mill proposed since the end of the Cold War, the Pinon Ridge Uranium Mill, received state permits in January 2011 to process uranium in southwest Colorado's Paradox Valley. Though environmental contamination from previous uranium activity caused one local community to be bulldozed to the ground, local support for renewed uranium activity emerges among local residents in communities like Nucla, Naturita, and Bedrock, Colorado. Regionally, however, a coalition of organized, oppositionbased grassroots groups fights the decision to permit the mill. Combined, these events allow social scientists a natural laboratory through which to view social repercussions of nuclear energy development. In this dissertation, I use a Polanyian theoretical framework to analyze social, political-economic, and environmental contexts of social movements surrounding PR Mill. My overarching research problem is: How might Polanyian double movement theory be applied to and made empirically testable within the social and environmental context of uranium development? I intended this analysis to inform energy policy debates regarding renewable energy. In Chapter 1, I found various forms of social dislocation lead to two divergent social movement outcomes. Economic social dislocation led to strong mill support among most local residents, according to archival, in-depth interview, and survey data. On the other hand, residents in regional communities experienced two other types of social dislocation -- another kind of economic dislocation, related to concern over boom-bust economies, and environmental health dislocations related to uranium exposure, creating conditions for a regional movement in opposition to PR Mill. In Chapter 2, I focus on regulations and find that two divergent social movements -- a support movement locally and a countermovement against the mill regionally -- emerge also as a result of strong faith in regulations, regulators, and Energy Fuels countered by marked distrust in regulations, regulators, and Energy Fuels, respectively. In Chapter 3, I advance Polanyi's double movement theory by comparing different emergent social movements surrounding uranium, showing that historically different circumstances surrounding uranium can help create conditions for divergent social movements.

Experimental micro mechanics methods for conventional and negative Poisson's ratio cellular solids as Cosserat continua

NASA Technical Reports Server (NTRS)

Lakes, R.

1991-01-01

Continuum representations of micromechanical phenomena in structured materials are described, with emphasis on cellular solids. These phenomena are interpreted in light of Cosserat elasticity, a generalized continuum theory which admits degrees of freedom not present in classical elasticity. These are the rotation of points in the material, and a couple per unit area or couple stress. Experimental work in this area is reviewed, and other interpretation schemes are discussed. The applicability of Cosserat elasticity to cellular solids and fibrous composite materials is considered as is the application of related generalized continuum theories. New experimental results are presented for foam materials with negative Poisson's ratios.

In-Flight Aeroelastic Stability of the Thermal Protection System on the NASA HIAD, Part I: Linear Theory

NASA Technical Reports Server (NTRS)

Goldman, Benjamin D.; Dowell, Earl H.; Scott, Robert C.

2014-01-01

Conical shell theory and piston theory aerodynamics are used to study the aeroelastic stability of the thermal protection system (TPS) on the NASA Hypersonic Inflatable Aerodynamic Decelerator (HIAD). Structural models of the TPS consist of single or multiple orthotropic conical shell systems resting on several circumferential linear elastic supports. The shells in each model may have pinned (simply-supported) or elastically-supported edges. The Lagrangian is formulated in terms of the generalized coordinates for all displacements and the Rayleigh-Ritz method is used to derive the equations of motion. The natural modes of vibration and aeroelastic stability boundaries are found by calculating the eigenvalues and eigenvectors of a large coefficient matrix. When the in-flight configuration of the TPS is approximated as a single shell without elastic supports, asymmetric flutter in many circumferential waves is observed. When the elastic supports are included, the shell flutters symmetrically in zero circumferential waves. Structural damping is found to be important in this case. Aeroelastic models that consider the individual TPS layers as separate shells tend to flutter asymmetrically at high dynamic pressures relative to the single shell models. Several parameter studies also examine the effects of tension, orthotropicity, and elastic support stiffness.