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We study a two-component model for gelation consisting of $f$-functional monomers (the gel) and inert particles (the solvent). After equilibration as a simple liquid, the gel particles are gradually crosslinked to each other until the…

Soft Condensed Matter · Physics 2009-11-07 Michael Plischke , D. C. Vernon , Bela Joos

We study the impact of finite-temperature effects in numerical-relativity simulations of binary neutron star mergers with microphysical equations of state and neutrino transport in which we vary the effective nucleon masses in a controlled…

High Energy Astrophysical Phenomena · Physics 2023-08-01 Jacob Fields , Aviral Prakash , Matteo Breschi , David Radice , Sebastiano Bernuzzi , André da Silva Schneider

A multidisciplinary approach is presented to analyse the precipitation process in a model Al-Cu alloy. Although this topic has been extensively studied in the past, most of the investigations are focussed either on transmission electron…

Materials Science · Physics 2018-05-22 A. Rodríguez-Veiga , B. Bellón , I. Papadimitriou , G. Esteban-Manzanares , I. Sabirov , J. Llorca

Binary mixtures are known to phase separate via both nucleation and spinodal decomposition, depending on the initial composition and extent of the quench. Here we develop an energy landscape view of phase separation and non-ideality in…

Statistical Mechanics · Physics 2010-12-22 Sarmistha Sarkar , Biman Bagchi

We present an ab initio quantum theory of the finite temperature magnetism of iron and nickel. A recently developed technique which combines dynamical mean-field theory with realistic electronic structure methods, successfully describes the…

Strongly Correlated Electrons · Physics 2007-05-23 A. I. Lichtenstein , M. I. Katsnelson , G. Kotliar

This work investigates the mechanisms of crystal nucleation in metal melts, in dependence on the influence of their shape and volume. Investigations were conducted on both thin flat and bulk samples prepared of low-temperature Wood's metal…

Materials Science · Physics 2025-07-08 A. S. Nuradinov , K. A. Sirenko , I. A. Nuradinov , O. V. Chystiakov , D. O. Derecha

We present a phase field theory for binary crystal nucleation. In the one-component limit, quantitative agreement is achieved with computer simulations (Lennard-Jones system) and experiments (ice-water system) using model parameters…

Soft Condensed Matter · Physics 2009-11-07 Laszlo Granasy , Tamas Borzsonyi , Tamas Pusztai

We calculate the bulk-viscous dissipation time for adiabatic density oscillations in nuclear matter at densities of 1-7 times nuclear saturation density and at temperatures ranging from 1 MeV, where corrections to previous low-temperature…

Nuclear Theory · Physics 2019-10-02 Mark G. Alford , Steven P. Harris

An analytical framework is proposed to describe the elasticity, viscosity and fragility of metallic glasses in relation to their atomic-level structure and the effective interatomic interaction. The bottom-up approach starts with forming an…

Soft Condensed Matter · Physics 2016-08-15 Alexandra E. Lagogianni , Johannes Krausser , Zach Evenson , Konrad Samwer , A Zaccone

The temperature dependence of a system exhibiting a `metal-insulator transition in two dimensions at zero magnetic field' (MIT) is studied up to 90K. Using a classical scattering model we are able to simulate the non-monotonic temperature…

Strongly Correlated Electrons · Physics 2015-06-24 V. Senz , T. Ihn , T. Heinzel , K. Ensslin , G. Dehlinger , D. Grützmacher , U. Gennser , E. H. Hwang , S. Das Sarma

We developed a new physical model to predict macroscopic properties of inorganic molten systems using a realistic description of inter-atomic interactions. Unlike the conventional approach, which tends to overestimate viscosity by several…

Materials Science · Physics 2015-06-04 Vitaly V. Chaban , Yuriy V. Pereverzev , Oleg V. Prezhdo

We report on the temperature dependence of birefringence and of the static dielectric permittivity tensor in a series of binary mixtures between the symmetric, bent-shaped, 1",9"-bis(4-cyanobiphenyl-4'-yl) nonane (CB9CB) dimer and the…

By means of molecular-dynamics simulations, temperature driven diffusionless structural phase transitions in equi- and nearly equiatomic ordered nickel-titanium alloys were investigated. For this purpose, a model potential from the…

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

We study the properties of a polycarbonate melt near a nickel surface as a model system for the interaction of polymers with metal surfaces by employing a multiscale modeling approach. For bulk properties a suitably coarse grained bead…

Materials Science · Physics 2009-11-07 L. Delle Site , C. F. Abrams , A. Alavi , K. Kremer

Some issues that arise when modeling elastic energy for binary alloys are discussed within the context of a Keating model and density functional calculations. The Keating model is based on atomistic modeling of elastic interactions in…

Materials Science · Physics 2015-12-30 Arvind Baskaran , Christian Ratsch , Peter Smereka

We perform molecular dynamics and Monte Carlo simulations of two-dimensional melting with dipole-dipole interactions. Both static and dynamic behaviors are examined. In the isotropic liquid phase, the bond orientational correlation length 6…

Soft Condensed Matter · Physics 2008-06-24 Shizeng Lin , Bo Zheng , Steffen Trimper

The liquid structure of a glass-forming binary alloy is studied using molecular dynamics simulations. The analysis combines common neighbour analysis with the geometrical approach of Frank and Kasper to establish that the supercooled liquid…

Soft Condensed Matter · Physics 2010-03-11 Ulf R. Pedersen , Thomas B. Schrøder , Jeppe C. Dyre , Peter Harrowell

The van der Waals liquid orthoterphenyl has long been used as a model system in the study of the glass transition. Motivated by mode-coupling theory, extensive experiments have been undertaken to monitor the onset of structural relaxation…

Disordered Systems and Neural Networks · Physics 2009-11-07 Albert Toelle

The accurate treatment of electronic effects in multi-million atom simulations of radiation-induced collision cascades is crucial for reliable predictions of primary radiation damage. In this work, we explore the performance of a recently…

Materials Science · Physics 2024-01-10 Andrea E. Sand , Glen P. Kiely , Artur Tamm , Alfredo A. Correa

The dynamics and rheology of a vesicle confined in a channel under shear flow are studied at finite temperature. The effect of finite temperature on vesicle motion and system viscosity is investigated. A two-dimensional numerical model,…

Soft Condensed Matter · Physics 2022-10-04 A. Lamura