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The existence and the regularity results obtained in [37] for the variational model introduced in [36] to study the optimal shape of crystalline materials in the setting of stress-driven rearrangement instabilities (SDRI) are extended from…

Analysis of PDEs · Mathematics 2026-01-29 Shokhrukh Kholmatov , Paolo Piovano

The plastic flow of a polycrystal is analyzed assuming grains as fine that the rate limiting process is grain boundary sliding, and grains readily accommodate their shapes by slip to preserve spatial continuity. It is shown that thinking of…

Materials Science · Physics 2009-11-19 Miguel Lagos , César Retamal

Rare-earth monopnictides have attracted much attention due to their unusual electronic and topological properties for potential device applications. Here, we study rock-salt structured lanthanum monopnictides LaX (X = P, As) by density…

Materials Science · Physics 2021-09-08 Chia-Min Lin , Wei-Chih Chen , Cheng-Chien Chen

Predicting the failure and plasticity of solids remains a longstanding challenge, with broad implications for materials design and functional reliability. Disordered solids like metallic glasses can fail either abruptly or gradually without…

Materials Science · Physics 2025-07-08 Tero Mäkinen , Anshul D. S. Parmar , Silvia Bonfanti , Mikko Alava

Inspired by recent successes using single-stranded DNA tiles to produce complex structures, we develop a two-step coarse-graining approach that uses detailed thermodynamic calculations with oxDNA, a nucleotide-based model of DNA, to…

Soft Condensed Matter · Physics 2018-04-09 Pedro Fonseca , Flavio Romano , John S. Schreck , Thomas E. Ouldridge , Jonathan P. K. Doye , Ard A. Louis

The gradient crystal plasticity framework of Wulfinghoff et al. [53] incorporating an equivalent plastic strain and grain boundary yielding, is extended with additional grain boundary hardening. By comparison to averaged results from many…

Computational Physics · Physics 2015-12-18 E. Bayerschen , M. Stricker , S. Wulfinghoff , D. Weygand , T. Böhlke

When amorphous solids are strained they display elastic deformation at small strain, however, beyond a critical strain they yield and begin to flow plastically. The origin of this plasticity lies in the irreversible rearrangement of…

Soft Condensed Matter · Physics 2019-09-19 Atharva Pandit , Antina Ghosh , Vijayakumar Chikkadi

The dynamic collapse of pores under shock loading is thought to be directly related to hot spot generation and material failure, which is critical to the performance of porous energetic and structural materials. However, the shock…

Applied Physics · Physics 2024-09-02 Barry P Lawlor , Vatsa Gandhi , Guruswami Ravichandran

We develop an athermal shear-transformation-zone (STZ) theory of plastic deformation in spatially inhomogeneous, amorphous solids. Our ultimate goal is to describe the dynamics of the boundaries of voids or cracks in such systems when they…

Materials Science · Physics 2009-11-11 Eran Bouchbinder , J. S. Langer , Ting-Shek Lo , Itamar Procaccia

This study presents a physically consistent displacement-driven reformulation of the concept of action-at-a-distance, which is at the foundation of nonlocal elasticity. In contrast to existing approaches that adopts an integral…

Numerical Analysis · Mathematics 2021-11-03 Sansit Patnaik , Sai Sidhardh , Fabio Semperlotti

Microcompression testing is used to probe the uniaxial stress-strain response of a nanocrystalline alloy, with an emphasis on exploring how grain size and grain boundary relaxation state impact the complete flow curve and failure behavior.…

Materials Science · Physics 2014-08-26 Amirhossein Khalajhedayati , Timothy J. Rupert

Nonadiabatic molecular dynamics is an effective method for modeling nonradiative decay in electronically excited molecules. Its accuracy depends strongly on the quality of the potential energy surfaces, and its affordability for long…

Chemical Physics · Physics 2024-10-11 Matthew R. Hennefarth , Donald G. Truhlar , Laura Gagliardi

Many time-dependent deformation processes at elevated temperatures produce significant concurrent microstructure changes that can alter the mechanical properties in a profound manner. Such microstructure evolution is usually absent in…

Materials Science · Physics 2016-02-04 Pengyang Zhao , Thaddeus Song En Low , Yunzhi Wang , Stephen R. Niezgoda

We present a numerical study of the mechanical response of a 2D Lennard-Jones amorphous solid under steady quasistatic and athermal shear. We focus here on the evolution of local stress components. While the local stress is usually taken as…

Materials Science · Physics 2009-11-13 Michel Tsamados , Anne Tanguy , Fabien Leonforte , J. -L. Barrat

We present a numerical study of the asymmetric dumbbell model consisting of ``molecules'' constructed as two different-sized Lennard-Jones spheres connected by a rigid bond. In terms of the largest (A) particle radius, we report data for…

Soft Condensed Matter · Physics 2024-01-05 Eman Attia , Jeppe C. Dyre , Ulf R. Pedersen

We develop and extend a method presented in [S. Patinet, D. Vandembroucq, and M. L. Falk, Phys. Rev. Lett., 117, 045501 (2016)] to compute the local yield stresses at the atomic scale in model two-dimensional Lennard-Jones glasses produced…

Strain engineering is a powerful tool for tuning the electronic, magnetic, and topological properties of two-dimensional (2D) materials and thin films - particularly at high values of strain (>3%) where many electronic, magnetic, and…

Materials Science · Physics 2026-04-30 Yangchen He , Jessica Kienbaum , Wuzhang Fang , Hongrui Ma , Ying Wang , Ping Yuan , Daniel A. Rhodes

In this work, we combine the nonlocal theory of Eringen into the E-B beam bending together with nonlinear kinematics [3]. We briefly present the derivation and key equations of this nonlinearnonlocal beam theory and investigate the role of…

Computational Physics · Physics 2012-11-29 Chi Huan Nguyen , Shailendra P. Joshi

In polycrystalline materials, grain boundaries are sites of enhanced atomic motion, but the complexity of the atomic structures within a grain boundary network makes it difficult to link the structure and atomic dynamics. Here we use a…

The prediction of turbulent boundary layer (TBL) flow over a convex surface as in aircraft wings or gas turbine blades is a challenging problem. Finding a universal scaling law of turbulence statistics of TBLs over a wide range of adverse…

Fluid Dynamics · Physics 2019-12-12 Atsushi Sekimoto , Vassili Kitsios , Callum Atkinson , Julio Soria