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The primary factors controlling defect stability in phase-field crystal (PFC) models are examined, with illustrative examples involving several existing variations of the model. Guidelines are presented for constructing models with stable…

材料科学 · 物理学 2015-06-11 Joel Berry , Nikolas Provatas , Jörg Rottler , Chad W. Sinclair

Theory predicts limiting gliding velocities that dislocations cannot overcome. Computational and recent experiments have shown that these limiting velocities are soft barriers and dislocations can reach transonic speeds in high rate plastic…

材料科学 · 物理学 2025-02-18 Kathryn R. Jones , Khanh Dang , Daniel N. Blaschke , Saryu J. Fensin , Abigail Hunter

New aspects of a relation between lattice and dislocation structures are examined within a physically transparent theoretical scheme. Predicted features originating from the lattice discreteness include: (i) multiple core dislocation…

材料科学 · 物理学 2007-05-23 Oleg N. Mryasov , Yu. N. Gornostyrev , A. J. Freeman

Dislocation is one of the most critical and fundamental crystal defects that dominate the mechanical behavior of crystalline solids, however, a quantitative determination of its character and property in experiments is quite challenging and…

材料科学 · 物理学 2019-07-24 S. H. Zhang , D. Legut , R. F. Zhang

Plastic deformation of metallic alloys usually takes place through slip, but occasionally involves twinning. In particular, twinning is important in hexagonal close packed materials where the easy slip systems are insufficient to…

材料科学 · 物理学 2018-02-14 Dingyi Sun , Mauricio Ponga , Kaushik Bhattacharya , Michael Ortiz

This work addresses differences in predicted elastic fields created by dislocations either by the Phase Field Crystal (PFC) model, or by static Field Dislocation Mechanics (FDM). The PFC order parameter describes the topological content of…

材料科学 · 物理学 2024-04-16 Manas Vijay Upadhyay , Jorge Viñals

Metastable alloys, such as $\beta$-phase titanium (Ti) alloys with a body-centered cubic (BCC) lattice, can exhibit exceptional mechanical properties through the interplay of multiple deformation mechanisms -- diffusionless phase…

材料科学 · 物理学 2025-10-16 Ganlin Chen , Deepak V Pillai , Yufeng Zheng , Liang Qi

The theory of the dislocation motion in the periodic potential relief of the crystal lattice (the Peierls-Nabarro barriers) is reviewed. On the basis of the kink mechanism the temperature dependence of the flow stress is described for a…

斑图形成与孤子 · 物理学 2007-05-23 B. V. Petukhov

There is growing interest in promoting deformation twinning for plasticity in advanced materials, as highly organized twin boundaries are beneficial to better strength-ductility combination in contrast to disordered grain boundaries.…

材料科学 · 物理学 2016-04-05 Peng Wang , Shaofeng Xu , Jiabin Liu , Xiaoyan Li , Yujie Wei , Hongtao Wang , Huajian Gao , Wei Yang

We used nonequilibrium molecular dynamics simulations to study the shear deformation of metallic composites composed of alternating layers of Cu and Au. Our simulations reveal the formation of "vortices" or "swirls" if the bimaterial…

材料科学 · 物理学 2020-01-15 Adrien Gola , Ruth Schwaiger , Peter Gumbsch , Lars Pastewka

The structural properties of packed soft-core particles provide a platform to understand the cross-pollinated physical concepts in solid-state- and soft-matter physics. Confined on spherical surface, the traditional differential geometry…

软凝聚态物质 · 物理学 2025-01-06 Han Xie , Wenyu Liu , Zhenyue Lu , Jeff Z. Y. Chen , Yao Li

Recently, a dislocation free deformation mechanism was proposed by Kiritani et al., based on a series of experiments where thin foils of fcc metals were deformed at very high strain rates. In the experimental study, they observed a large…

材料科学 · 物理学 2015-06-24 J. Schiøtz , T. Leffers , B. N. Singh

Fracture material is seriously problem in daily life, and it has connection with mechanical properties itself. The mechanical properties is belief depend on dislocation movement and crack propagation in the crystal. Information about this…

计算物理 · 物理学 2012-12-04 Suprijadi , Ely Aprilia , Meiqorry Yusfi

Body-centred cubic (BCC) transition metals tend to be brittle at low temperatures, posing significant challenges in processing and major concerns for damage tolerance. The brittleness is largely dictated by the screw dislocation core; the…

材料科学 · 物理学 2022-09-27 Rui Wang , Lingyu Zhu , Subrahmanyam Pattamatta , David J. Srolovitz , Zhaoxuan Wu

Contraction twinning in magnesium alloys leads to new grains that are misoriented from the parent grain by a rotation of 56 deg around the a-axis. The classical theory of deformation twinning does not precise the atomic displacements and…

材料科学 · 物理学 2018-07-17 Cyril Cayron

We map certain highly correlated electron systems on lattices with geometrical frustration in the motion of added particles or holes to the spatial defect-defect correlations of dimer models in different geometries. These models are studied…

强关联电子 · 物理学 2007-05-23 F. Pollmann , J. J. Betouras , E. Runge

Molecular dynamics simulations revealed significant difference in deformation behaviour of $<$100$>$ BCC Fe nanowires with and without twist boundary. The plastic deformation in perfect $<$100$>$ BCC Fe nanowire was dominated by twinning…

材料科学 · 物理学 2016-11-29 G. Sainath , B. K. Choudhary

Smectic liquid crystals are charcterized by layers that have a preferred uniform spacing and vanishing curvature in their ground state. Dislocations in the smectics play an important role in phase nucleation, layer reorientation, and…

软凝聚态物质 · 物理学 2017-06-28 Hillel Aharoni , Thomas Machon , Randall D. Kamien

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…

材料科学 · 物理学 2015-04-10 G. D. Samolyuk , Y. N. Osetsky , R. E. Stoller

We report the first ab initio density-functional study of <111> screw dislocations cores in the bcc transition metals Mo and Ta. Our results suggest a new picture of bcc plasticity with symmetric and compact dislocation cores, contrary to…

材料科学 · 物理学 2009-10-31 Sohrab Ismail-Beigi , T. A. Arias