Browsing by Author "decec889-a006-4e8d-96b7-33bd29aa9fe8"
Now showing items 1-11 of 11
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(Institute of Physics Publishing, 2018)© 2018 IOP Publishing Ltd. A general mathematical expression to estimate the temperature in computer simulations of constrained systems is obtained. Using a recently derived theorem which relates the ensemble average of ...
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(Elsevier, 2019)Metallic glasses with embedded crystalline phases have been experimentally reported to exhibit enhanced mechanical properties. To further explore this observation, we employed molecular dynamics simulations to study ...
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(Elsevier, 2017)Shape memory alloys, like B2–CuZr, are a class of materials that have the ability to recover their original shape when subjected to specific thermomechanical conditions. In this work, we carry out molecular dynamics ...
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(Nature, 2016)Ultrahigh-pressure phase boundary between solid and liquid SiO2 is still quite unclear. Here we present predictions of silica melting curve for the multimegabar pressure regime, as obtained from first principles molecular ...
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(Elsevier Ltd, 2016)© 2015 Elsevier B.V. All rights reserved.We present a computational tensile test which shows the evolution of the atomic structure of a Cu50Zr50 metallic glass nanowire at 300 K as the applied strain increases. The system ...
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(IOP, 2020)We deform, in pure shear, a thin sample of Cu50Zr50 metallic glass using a molecular dynamics simulation up to, and including, failure. The experiment is repeated ten times in order to have average values and standard ...
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(Springer New York LLC, 2014)© 2014, EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg.We studied the structural and dynamical properties of amorphous germanium dioxide(GeO2) from lowto high pressure by means of the classical molecular dynamics ...
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(2004)The structural properties of liquid GeO2 were investigated using molecular dynamics simulation. A comparison of the obtained pair correlation functions, coordination number, angular distribution, and both the neutron and ...
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(Sociedad Mexicana de Fisica, 1998)The behavior of free surfaces and of grain boundaries of a bcc Zr system, close to the melting temperature, are investigated using molecular dynamics in combination with a tight-binding potential. Our system consists in ...
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(Elsevier, 2018-04-11)Superstatistics (Beck and Cohen, 2003) is a formalism that attempts to explain the presence of distributions other than the Boltzmann–Gibbs distributions in Nature, typically powerlaw behavior, for systems out of equilibrium ...
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(Elsevier, 2018)A molecular dynamics study of the effect of a single B2–CuZr precipitate on the mechanical properties of Cu50Zr50 metallic glass nanowires is presented. Four different samples are considered: three with a 2, 4 and 6 nm ...
