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We have applied density-functional theory (DFT) based calculations to investigate the size and strain effects on the electronic properties, such as band structures, energy gaps, and effective masses of the electron and the hole, in Si…

Computational Physics · Physics 2010-10-11 Xihong Peng , Azar Alizadeh , Sanat K. Kumar , Saroj K. Nayak

In situ neutron diffraction of the uniaxial tension test was used to study the effect of the surrounding matrix microstructure on the mechanical stability of retained austenite in high-carbon bearing steels. Comparing the samples with…

Materials Science · Physics 2018-07-18 Rohit Voothaluru , Vikram Bedekar , Dunji Yu , Qingge Xie , Ke An , R Scott Hyde

Nitinol technology, besides utilizing the functional thermomechanical properties derived from the B2 cubic to B19' monoclinic martensitic transformation, also exploits the excellent plastic deformability of NiTi in the martensite state. It…

Molecular dynamics simulations are performed to provide a detailed understanding of the functional degradation of shape memory alloys at small scale. The origin of the experimentally reported accumulation of plastic deformation and the…

Materials Science · Physics 2021-04-02 Won-Seok Ko , Won Seok Choi , Guanglong Xu , Pyuck-Pa Cho , Yuji Ikeda , Blazej Grabowski

The kinetics and thermodynamics of structural transformations under pressure depend strongly on particle size due to the influence of surface free energy. By suitable design of surface structure, composition, and passivation it is possible,…

Materials Science · Physics 2017-04-05 Michael Grünwald , Katie Lutker , A. Paul Alivisatos , Eran Rabani , Phillip L. Geissler

Materials which can undergo slow diffusive transformations as well as fast displacive transformations are studied using the phase-field method. The model captures the essential features of the time-temperature-transformation (TTT) diagrams,…

Materials Science · Physics 2007-05-23 Mathieu Bouville , Rajeev Ahluwalia

We present a comprehensive set of first principles electronic structure calculations to study transition metal solutes and their interactions with point defects in austenite. Clear trends were observed across the series. Solute-defect…

Materials Science · Physics 2014-07-31 D. J. Hepburn , E. MacLeod , G. J. Ackland

Understanding the mechanism of martensitic transformation is of great importance in developing advanced high strength steels, especially TRansformation-Induced Plasticity (TRIP) steels. The TRIP effect leads to enhanced work-hardening rate,…

Materials Science · Physics 2016-12-28 Jiabin Liu , Qiong Feng , Xiaoyang Fang , Hongtao Wang , Jian Lu , Dierk Raabe , Wei Yang

The finite size and surface roughness effects on the magnetization of NiO nanoparticles is investigated. A large magnetic moment arises for an antiferromagnetic nanoparticle due to these effects. The magnetic moment without the surface…

Mesoscale and Nanoscale Physics · Physics 2011-07-25 Sunil Kumar Mishra , V. Subrahmanyam

This work explains the occurrence of transformation-induced plasticity via stress-assisted martensite, when designing ultrafine-grained duplex steels. It is found that, when the austenite is reduced to a fine scale of about 300 nm, the…

Based on original investigations into the stages of nucleation and growth of martensite, a consideration has been given to dynamic models of formation of martensite plates with a fine structure of transformation twins, which are compatible…

Materials Science · Physics 2010-07-02 M. P. Kashchenko , V. G. Chashchina

Fracture toughness is the material property characterizing resistance to failure. Predicting its value from the solid structure at the atomistic scale remains elusive, even in the simplest situations of brittle fracture. We report here…

Soft Condensed Matter · Physics 2024-10-30 Thuy Nguyen , Daniel Bonamy

Metal to insulator transitions (MITs) driven by strong electronic correlations are common in condensed matter systems, and are associated with some of the most remarkable collective phenomena in solids, including superconductivity and…

Strongly Correlated Electrons · Physics 2019-12-20 G. G. Guzmán-Verri , R. T. Brierley , P. B. Littlewood

This study aims to examine the spatial evolution of the geometrical features of the turbulent/turbulent interface (TTI) in a cylinder wake. The wake is exposed to various turbulent backgrounds in which the turbulence intensity and the…

Fluid Dynamics · Physics 2023-09-11 Jiangang Chen , Oliver R. H. Buxton

Phase-field simulations of the martensitic transformation (MT) in the austenitic matrix, which has already undergone the plastic deformation, are carried out. For this purpose the elasto-plastic phase-field approach of incoherent MT…

Materials Science · Physics 2014-03-12 Julia Kundin , Evgeny Pogorelov , Heike Emmerich

An original thermodynamically consistent large strains-based multiphase phase-field (PF) approach of Ginzburg-Landau type is developed for studying the grain boundary (GB)-induced martensitic transformations (MTs) in polycrystalline…

Materials Science · Physics 2022-06-24 Anup Basak

We study the mechanics of temperature-driven reconstructive martensitic transformations in crystalline materials, within the framework of nonlinear elasticity theory. We focus on the prototypical case of the square-hexagonal transition in…

Materials Science · Physics 2025-05-23 Edoardo Arbib , Noemi Barrera , Paolo Biscari , Giovanni Zanzotto

In this paper, the dilatational response of porous solids with pressure-insensitive matrix displaying strength differential (SD) effects is investigated. To this end, micromechanical finite-element analyses of three-dimensional unit cells…

Materials Science · Physics 2015-06-19 J. L. Alves , Oana Cazacu

The shape memory behavior of a NiTi nanoparticle is analyzed by molecular dynamics simulations. After a detailed description of the equilibrium structures of the used model potential, the multi variant martensitic ground state, which…

Materials Science · Physics 2022-01-04 Daniel Mutter , Peter Nielaba

Nanoindentation techniques recently developed to measure the mechanical response of crystals under external loading conditions reveal new phenomena upon decreasing sample size below the microscale. At small length scales, material…

Materials Science · Physics 2015-03-18 Paolo Moretti , Benedetta Cerruti , M. -Carmen Miguel