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Lattice dynamical methods used to predict phase-transformations in crystals typically evaluate the harmonic phonon spectra and therefore do not work in frequent and important situations where the crystal structure is unstable in the…

Materials Science · Physics 2015-05-18 Petros Souvatzis , Dominik Legut , Olle Eriksson , Mikhail I. Katsnelson

The dynamics and thermodynamics of phase transition in hot nuclei are studied through experimental results on multifragmentation of heavy systems (A>200) formed in central heavy ion collisions. Different signals indicative of a phase…

Few compounds feature ice-shaping properties. The only compound reported to have ice-shaping properties similar to that of ice-shaping proteins, encountered in many organisms living at low temperature, is Zirconium Acetate. When a Zirconium…

Materials Science · Physics 2017-04-26 Moreno Marcellini , Francisco M. Fernandes , Sylvain Deville

An analytical model of unsteady heat transfer in a one-dimensional harmonic crystal is presented. A nonlocal temperature is introduced as a generalization of the kinetic temperature. A closed equation determining unsteady thermal processes…

Statistical Mechanics · Physics 2015-11-25 Anton M. Krivtsov

Controlled mechanical loading was applied to Ti-15Mo alloy during annealing at 550 $^\circ$C. Massive formation of the $\omega_{\textrm{iso}}$ phase from the parent $\beta$-phase occurred during annealing at 550 $^\circ$C without external…

A variety of chromate-free conversion coatings are being actively investigated to improve the corrosion performance of light-weight alloys for aerospace and defense applications. Advancing conversion coating, however, requires an in-depth…

Materials Science · Physics 2022-10-10 Arash Samaei , Santanu Chaudhuri

Solid-state cooling based on i-caloric effects may be an alternative to conventional vapor-compression refrigeration systems. The adiabatic temperature change ($\Delta T_{S}$) is one of the parameters that characterize the i-caloric…

Materials Science · Physics 2023-03-28 A. M. G. Carvalho , W. Imamura

We describe in detail a recently proposed lattice-Boltzmann model for simulating flows with multiple phases and components. In particular, the focus is on the modeling of one-component fluid systems which obey non-ideal gas equations of…

comp-gas · Physics 2009-10-22 Xiaowen Shan , Hudong Chen

We propose and develop a model as an attempt to describe the local mechanism of mechanical alloying. This model is based on the observation of global parameters, such as the volumes of the various phases present in the material, and their…

Materials Science · Physics 2007-05-23 Igor F. Vasconcelos , Reginaldo S. de Figueiredo

This work proposes an extension of phase change and latent heat models for the simulation of metal powder bed fusion additive manufacturing processes on the macroscale and compares different models with respect to accuracy and numerical…

Computational Engineering, Finance, and Science · Computer Science 2021-09-07 Sebastian D. Proell , Wolfgang A. Wall , Christoph Meier

In this paper we suggest a theoretical method based on the statistical mechanics for treating the alpha-helix-random coil transition in alanine polypeptides. We consider this process as a first-order phase transition and develop a theory…

Biological Physics · Physics 2009-11-13 Alexander V. Yakubovich , Ilia A. Solov'yov , Andrey V. Solov'yov , Walter Greiner

We consider a chain of anharmonic oscillators immersed in a heat bath with a temperature gradient and a time varying tension applied to one end of the chain while the other side is fixed to a point. We prove that under diffusive space-time…

Probability · Mathematics 2016-05-16 Viviana Letizia , Stefano Olla

Phase transformations in metallic grain boundaries (GBs) present significant fundamental interest in the context of thermodynamics of low-dimensional physical systems. We report on atomistic computer simulations of the Cu-Ag system that…

Materials Science · Physics 2015-07-01 Timofey Frolov , Mark Asta , Yuri Mishin

The prototypical $\alpha\to\omega$ phase transition in zirconium is an ideal test-bed for our understanding of polymorphism under extreme loading conditions. After half a century of study, a consensus had emerged that the transition is…

Materials Science · Physics 2024-04-30 P. G. Heighway , S. Singh , M. G. Gorman , D. McGonegle , J. H. Eggert , R. F. Smith

We investigate quantum phase transitions in the extended periodic Anderson model, which includes electron correlations within and between itinerant and localized bands. We calculate zero and finite temperature properties of the system using…

Strongly Correlated Electrons · Physics 2009-11-13 Akihisa Koga , Norio Kawakami , Robert Peters , Thomas Pruschke

In this work we investigate the transient solidification of a Lennard-Jones liquid using non-equilibrium molecular dynamics simulations and continuum heat transfer theory. The simulations are performed in slab-shaped boxes, where a cold…

Mesoscale and Nanoscale Physics · Physics 2020-10-26 Francesc Font , William Micou , Fernando Bresme

We derive a simple system of equations to describe the magnetization relaxation of a molecular spin in weak interaction with a thermal bath for the whole temperature domain. Using this for the intermediate temperature domain where the…

Materials Science · Physics 2022-12-27 Le Tuan Anh Ho , Liviu Ungur , Liviu F. Chibotaru

In the literature, two quite different phase-field formulations for the problem of alloy solidification can be found. In the first, the material in the diffuse interfaces is assumed to be in an intermediate state between solid and liquid,…

Materials Science · Physics 2011-11-23 Mathis Plapp

We study the zero-temperature phase diagram of two-dimensional helium-4 using neural quantum states. Our variational description allows us to address liquid and solid phases using the same functional form as well as exploring possible…

Statistical Mechanics · Physics 2025-06-19 David Linteau , Gabriel Pescia , Jannes Nys , Giuseppe Carleo , Markus Holzmann

This study uses continuum thermodynamics of pure thermoelastic fluids to examine their phase transformation. To examine phase transformation kinetics, a special emphasis is placed on the jump condition for the axiom of entropy inequality,…

Statistical Mechanics · Physics 2022-07-29 Gerard A. Ateshian , Jay J. Shim
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