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Research in the field of Materials Science and Engineering focuses on the design, synthesis, properties, and performance of materials. An important class of materials that is widely investigated are crystalline materials, including metals…

Materials Science · Physics 2023-09-14 Ahmad Zainul Ihsan , Said Fathalla , Stefan Sandfeld

A novel explanation of the quasielastic release phenomenon in shock compressed aluminum is presented. A dislocation-based model, taking into account dislocation substructures and evolution, is applied to simulate the elastic plastic…

Materials Science · Physics 2017-02-01 Song-Lin Yao , Xiao-Yang Pei , Ji-Dong Yu , Jing-Song Bai , Qiang Wu

Dislocation-density-based crystal plasticity (CP) models are introduced to account for the microstructural changes throughout the deformation process, enabling more quantitative predictions of the deformation process compared to slip-system…

Materials Science · Physics 2025-07-24 Jalal Smiri , Oguz Umut Salman , Ioan R. Ionescu

A continuum plasticity model for metals is presented from considerations of non-equilibrium thermodynamics. Of specific interest is the application of a fluctuation relation that subsumes the second law of thermodynamics en route to…

Materials Science · Physics 2016-03-31 S Roy Chowdhury , D Roy , J N Reddy

Crystal plasticity is the result of the motion and interaction of dislocations. There is, however, still a major gap between microscopic and mesoscopic simulations and continuum crystal plasticity models. Only recently a higher dimensional…

Materials Science · Physics 2010-10-15 Thomas Hochrainer , Michael Zaiser , Peter Gumbsch

The kinetics of dislocation reactions, such as dislocation multiplication, controls the plastic deformation in crystals beyond their elastic limit, therefore critical mechanisms in a number of applications in materials science. We present a…

Materials Science · Physics 2024-12-31 Soumendu Bagchi , Danny Perez

Dislocations are the main carriers of the permanent deformation of crystals. For simulations of engineering applications, continuum models where material microstructures are represented by continuous density distributions of dislocations…

Materials Science · Physics 2018-03-02 Xiaohua Niu , Yichao Zhu , Shuyang Dai , Yang Xiang

We report results of large-scale molecular-dynamics (MD) simulations of dynamic deformation under biaxial tensile strain of pre-strained single-crystalline nanometer-scale-thick face-centered cubic (fcc) copper films. Our results show that…

Materials Science · Physics 2015-05-13 Kedarnath Kolluri , M. Rauf Gungor , Dimitrios Maroudas

We conduct dislocation dynamics (DD) simulations of Fe periodic single crystals under tensile load at several high strain rates and temperatures. The simulations are enabled by the recent development of temperature-dependent dislocation…

Materials Science · Physics 2013-11-26 Meijie Tang , Jaime Marian

We carry out strain-controlled in-situ compression experiments of micron-sized tungsten (W) micropillars in the temperature range 300-900 K, together with simulations of three-dimensional discrete dislocation dynamics (DDD) at the same…

Materials Science · Physics 2026-02-26 Yang Li , Inam Lalani , Matthew Maron , William Hixson , Biao Wang , Nasr Ghoniem , Giacomo Po

This paper reviews the current state-of-the-art in the simulation of the mechanical behavior of polycrystalline materials by means of computational homogenization. The key ingredients of this modelling strategy are presented in detail…

Materials Science · Physics 2018-11-22 J. Segurado , R. A. Lebensohn , J. LLorca

Dislocations are the carriers of plasticity in crystalline materials. Their collective interaction behavior is dependent on the strain rate and sample size. In small specimens, details of the nucleation process are of particular importance.…

Materials Science · Physics 2020-11-05 Jianqiao Hu , Hengxu Song , Zhanli Liu , Zhuo Zhuang , Xiaoming Liu , Stefan Sandfeld

Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline…

The origin of cube recrystallization texture in medium to high stacking-fault energy fcc metals has been debated for almost 70 years. Despite numerous experimental and simulation studies, many issues regarding the nucleation and growth of…

Materials Science · Physics 2022-03-29 Supriyo Chakraborty , Chaitali S. Patil , Yunzhi Wang , Stephen R. Niezgoda

Creep in single crystal Nickel-based superalloys has been a topic of interest since decades, and nowadays simulations are more and more able to complement experiments. In these alloys, the $\gamma/\gamma'$ phase microstructure co-evolves…

Materials Science · Physics 2017-02-09 Ronghai Wu , Michael Zaiser , Stefan Sandfeld

Crystalline materials deform in an intermittent way via dislocation-slip avalanches. Below a critical stress, the dislocations are jammed within their glide plane due to long-range elastic interactions and the material exhibits plastic…

Soft Condensed Matter · Physics 2015-05-20 Georgios Tsekenis , Nigel Goldenfeld , Karin A. Dahmen

Nanoindentation, a common technique for probing the mechanical properties of crystalline materials, exhibits both surface and bulk-dominated responses that are linked to the parent crystal's elasticity and plasticity. For FCC crystals, the…

Materials Science · Physics 2020-02-04 Michail Tzimas , John Michopoulos , Giacomo Po , Andrew C. E. Reid , Stefanos Papanikolaou

As circuitry approaches single nanometer length scales, it is important to predict the stability of metals at these scales. The behavior of metals at larger scales can be predicted based on the behavior of dislocations, but it is unclear if…

A three-dimensional continuum dislocation theory for single crystals containing curved dislocations is proposed. A set of governing equations and boundary conditions is derived for the true placement, plastic slips, and loop functions in…

Materials Science · Physics 2015-06-12 Khanh Chau Le

Organic molecular crystals encompass a vast range of materials from pharmaceuticals to organic optoelectronics and proteins to waxes in biological and industrial settings. Crystal defects from grain boundaries to dislocations are known to…

Materials Science · Physics 2023-09-01 Sang T. Pham , Natalia Koniuch , Emily Wynne , Andy Brown , Sean M. Collins