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Mesoscale simulations of discrete defects in metals provide an ideal framework to investigate the micro-scale mechanisms governing the plastic deformation under high thermal and mechanical loading conditions. To bridge size and time-scale…

Alkali halides $MX$, have been viewed as typical ionic compounds, characterized by 1:1 ratio necessary for charge balance between M$^+$ and X$^-$. It was proposed that group I elements like Cs can be oxidized further under high pressure.…

材料科学 · 物理学 2019-01-03 Qiang Zhu , Artem R. Oganov , Qingfeng Zeng

Superplastic behavior of ultrafine-grained (UFG) Al-6Mg-0.12Sc-0.10Zr-0.1X alloys, where X = Yb (Alloy #1-Yb), Er (Alloy #2-Er), and Hf (Alloy #3-Hf), has been studied. The total content of Sc, Zr, Yb, Er, Hf in the alloys was 0.32 wt.%…

We have investigated the structural and magnetic properties of Sm(Co0.7Fe0.1Ni0.12Zr0.04B0.04)7.5 melt spun ribbons. Samples were arc melted then melt spun at 37 m/s up to 55 m/s to obtain ribbon for powdering. Annealing has been performed…

材料科学 · 物理学 2011-12-23 Sofoklis S. Makridis , Wei Tang

It has recently been shown theoretically that the time-dependent heat conduction equation is form-invariant under curvilinear coordinate transformations. Thus, in analogy to transformation optics, fictitious transformed space can be mapped…

材料科学 · 物理学 2013-05-14 Robert Schittny , Muamer Kadic , Sebastien Guenneau , Martin Wegener

A finite-strain formulation is developed, implemented and tested for a constitutive model capable of describing the transition from granular to fully dense state during cold forming of ceramic powder. This constitutive model (as well as…

材料科学 · 物理学 2015-06-19 S. Stupkiewicz , A. Piccolroaz , D. Bigoni

We use first principles calculations to study the influence of thermomechanical loads on the energetics of precipitation in magnesium-aluminum alloys. Using Density Functional Theory simulations, we present expressions of the energy of…

材料科学 · 物理学 2020-01-07 Swarnava Ghosh , Kaushik Bhattacharya

Shock and release temperatures in Mo were calculated, taking account of heating from plastic flow predicted using the Steinberg-Guinan model. Plastic flow was calculated self-consistently with the shock jump conditions: this is necessary…

材料科学 · 物理学 2009-11-13 Damian C. Swift , Achim Seifter , David B. Holtkamp , David A. Clark

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…

材料科学 · 物理学 2025-07-08 Tero Mäkinen , Anshul D. S. Parmar , Silvia Bonfanti , Mikko Alava

We calculated the superconductivity properties of alkali metals under high pressure using the results of band theory and the rigid-muffin-tin theory of Gaspari and Gyorffy. Our results suggest that at high pressures Lithium, Potassium,…

超导电性 · 物理学 2009-11-11 Lei Shi , Dimitrios A. Papaconstantopoulos

The yielding transition, structural relaxation, and mechanical properties of metallic glasses subjected to repeated loading are examined using molecular dynamics simulations. We consider a poorly-annealed Cu-Zr amorphous alloy periodically…

软凝聚态物质 · 物理学 2024-08-30 Nikolai V. Priezjev

Purpose - The purpose of this paper is to describe finite element modelling for fracture and fatigue behaviour of zirconia toughened alumina microstructures. Design/methodology/approach - A two-dimensional finite element model is developed…

医学物理 · 物理学 2013-12-02 Kyungmok Kim , Jean Geringer , Bernard Forest

We propose a model describing the interatomic interaction at the interface between fullerene $\mathrm{C}_{60}$ and aluminum. Using the density functional theory, we calculate the binding energy and the fullerene's position on the…

材料科学 · 物理学 2024-03-12 V. V. Reshetniak , O. B. Reshetniak , A. V. Aborkin , A. V. Filippov

The static resistivity of dense Al and Au plsmas are calculated where all the needed inputs are obtained from density functional theory (DFT). This is used as input for a study of the dynamic conductivity. These calculations involve a…

材料科学 · 物理学 2009-11-11 M. W. C. Dharma-wardana

We investigate 2-colour QCD with 2 flavours of Wilson fermion at nonzero temperature T and quark chemical potential mu, with a pion mass of 700 MeV (m_pi/m_rho=0.8). From temperature scans at fixed mu we find that the critical temperature…

高能物理 - 格点 · 物理学 2015-06-15 Tamer Boz , Seamus Cotter , Leonard Fister , Dhagash Mehta , Jon-Ivar Skullerud

We present an experimental study of Rayleigh-B\'enard convection using liquid metal alloy gallium-indium-tin as the working fluid with a Prandtl number of $Pr=0.029$. The flow state and the heat transport were measured in a Rayleigh number…

流体动力学 · 物理学 2023-08-01 Lei Ren , Xin Tao , Lu Zhang , Ming-Jiu Ni , Ke-Qing Xia , Yi-Chao Xie

We describe a theoretical and computational approach to calculate the vibrational, elastic, and thermal properties of materials from the low-temperature quantum regime to the high-temperature anharmonic regime. This approach is based on…

材料科学 · 物理学 2024-09-20 Dylan A. Folkner , Zekun Chen , Giuseppe Barbalinardo , Florian Knoop , Davide Donadio

Constitutive laws relate fluid stress to deformation and underpin predictions of non-Newtonian behavior in industrial and biological fluids. Standard characterization relies on measurements in idealized flows that often miss physics…

流体动力学 · 物理学 2026-02-24 Alp M. Sunol , James V. Roggeveen , Mohammed G. Alhashim , Henry S. Bae , Michael P. Brenner

We propose a decomposition of constitutive relations into crack-driving and persistent portions, specifically designed for materials with anisotropic/orthotropic behavior in the phase field approach to fracture to account for the…

数值分析 · 数学 2022-12-28 Vahid Ziaei-Rad , Mostafa Mollaali , Thomas Nagel , Olaf Kolditz , Keita Yoshioka

Ice templating of colloidal suspension is gaining interest in material science because it offers the possibility to shape advanced materials, and in particular porous ceramics. Recent investigations on this peculiar process show that a…

材料科学 · 物理学 2018-04-03 Andrea Bareggi , Eric Maire , Audrey Lasalle , Sylvain Deville
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