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Using density functional theory (DFT) we report results for the electronic structure and vibrational dynamics of hydrogenated {\beta} reconstructed Silicon Carbide (001) (3x2) surfaces with various levels of hydrogenation. These results…

Materials Science · Physics 2015-05-30 James Westover , Hamid Oughaddou , Hanna Enriquez , Abdelkader Kara

Slip intermittency and stress oscillations in titanium alloy Ti-7Al-O that were observed using in-situ far-field high energy X-ray diffraction microscopy (ff-HEDM) are investigated using a discrete dislocation plasticity (DDP) model. The…

Materials Science · Physics 2023-08-09 Yilun Xu , Felicity Worsnop , David Dye , Fionn P. E. Dunne

Hypersonic leading-edge separation is studied towards understanding the varying shock-related unsteadiness with freestream Reynolds number ($1.66 \times 10^5 \leq Re_D \leq 5.85 \times 10^5$) in the newly constructed hypersonic Ludwieg…

Fluid Dynamics · Physics 2023-01-25 S. K. Karthick , Soumya R. Nanda , J. Cohen

Optical properties of compressed fluid hydrogen in the region where dissociation and metallization is observed are computed by ab-initio methods and compared to recent experimental results. We confirm that above 3000 K both processes are…

Materials Science · Physics 2019-09-04 Giovanni Rillo , Miguel A. Morales , David M. Ceperley , Carlo Pierleoni

It has been shown in experiments that self-climb of prismatic dislocation loops by pipe diffusion plays important roles in their dynamical behaviors, e.g., coarsening of prismatic loops upon annealing, as well as the physical and mechanical…

Materials Science · Physics 2019-05-21 Xiaohua Niu , Yejun Gu , Yang Xiang

Understanding the evolution of dislocation structures during plastic deformation is critical for predicting the mechanical performance of metallic materials. In this work, we applied in situ scanning electron microscopy/electron backscatter…

Materials Science · Physics 2026-03-24 Mikhail Lebyodkin , Maxim Gussev , Jamieson Brechtl , Tatiana Lebedkina

It is well known that diamond does not deform plastically at room temperature and usually fails in catastrophic brittle fracture. Here we demonstrate room-temperature dislocation plasticity in sub-micrometer sized diamond pillars by in-situ…

Photo-plasticity in semiconductors, wherein their mechanical properties such as strength, hardness and ductility are influenced by light exposure, has been reported for several decades. Although such phenomena have drawn significant…

Materials Science · Physics 2026-02-10 Mingqiang Li , Kun Luo , Xiumei Ma , Boran Kumral , Peng Gao , Tobin Filleter , Qi An , Yu Zou

Conventional discrete-to-continuum approaches have seen their limitation in describing the collective behaviour of the multi-polar configurations of dislocations, which are widely observed in crystalline materials. The reason is that…

Materials Science · Physics 2016-04-12 Stephen Jonathan Chapman , Yang Xiang , Yichao Zhu

Order strengthening in nickel-based superalloys is associated with the extra stress required for dislocations to bypass the $\gamma'$ precipitates distributed in the $\gamma$ matrix. A rich variety of bypass mechanism has been identified,…

Materials Science · Physics 2021-12-14 Sabyasachi Chatterjee , Yang Li , Giacomo Po

Strain relief in lattice mismatched heteroepitaxy is mediated by formation and/or propagation of dislocations. Due to their technological significance, the process of strain relief in materials with face-centred cubic (fcc) lattices has…

Materials Science · Physics 2007-05-23 Atul Konkar

In this paper we have investigated, through computer simulations, dislocation nucleation and dislocation dynamics in a heterostructure system with the lattice-mismatch interface, i.e. a system with internal strain. In particular, we have…

Materials Science · Physics 2018-04-20 Marco Patriarca , Antti Kuronen , Kimmo Kaski

We report the experimental observation of sublattice-resolved resonant scattering in bilayer graphene by performing simultaneous cryogenic atomic hydrogen doping and electron transport measurements in ultrahigh vacuum. This allows us to…

Mesoscale and Nanoscale Physics · Physics 2018-10-02 Jyoti Katoch , Tiancong Zhu , Denis Kochan , Simranjeet Singh , Jaroslav Fabian , Roland K. Kawakami

Dislocations in crystalline materials are widely exploited to tailor the thermal conductivity of semiconductors and thermoelectrics, yet a critical gap persists: direct measurement of local thermal resistance at individual buried…

Materials Science · Physics 2026-05-20 Ruilin Mao , Bingyao Liu , Jiaxin Liu , Xiaoyue Gao , Junping Luo , Fachen Liu , Ruochen Shi , Jiade Li , Jinlong Du , Peng Gao

Understanding high-pressure transitions in prototypical linear diatomic molecules, such as hydrogen, nitrogen, and oxygen, is an important objective in high-pressure physics. Recent ultrahigh-pressure study on hydrogen revealed that there…

Materials Science · Physics 2019-10-31 Shan Liu , Meifang Pu , Qiqi Tang , Feng Zhang , Binbin Wu , Li Lei

Lipid structures exhibit complex and highly dynamic lateral structure; and changes in lipid density and fluidity are believed to play an essential role in membrane targeting and function. The dynamic structure of liquids on the molecular…

Soft Condensed Matter · Physics 2016-12-21 Neda Dadashvand , Christina M. Othon

Lipid membranes in a physiological context cannot be understood without taking into account their mobile environment. Here, we report on a high energy-resolution neutron backscattering study to investigate slow motions on nanosecond time…

Biological Physics · Physics 2007-05-23 Maikel C. Rheinstädter , Tilo Seydel , Tim Salditt

Most of crystalline materials exhibit a hysteresis on their deformation curve when mechanically loaded in alternating directions. This Bauschinger effect is the signature of mechanisms existing at the atomic scale and controlling the…

Materials Science · Physics 2021-01-01 Sylvain Queyreau , Benoit Devincre

Plastic deformation In crystalline materials is controlled by the motion and interactions of dislocations [AND 17]. Discrete Dislocation Dynamics (DDD) simulations have now existed for about 25 years to investigate plastic flow at the…

Materials Science · Physics 2020-01-07 Sylvain Queyreau

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
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