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Further development of nuclear power plant technology relies heavily on materials durability under operating conditions. Estimating the materials performance in the operando tests is crucial. In this paper, the mechanical behavior of thin…

In this work we aim to study the effect of temperature on the mechanical properties of a solid. For this, we have introduced a new first-principles based methodology to obtain the thermal variation of the elastic constants of NiTiSn, a…

Materials Science · Physics 2020-02-07 P. Hermet , J. Haines , D. Granier , M. Tillard , P. Jund

This paper develops a computational simulation of the fluid dynamics and heat transfer phenomena that occur inside combustion chamber, and flat and semispherical open evaporators used in NCS non-centrifugal sugar industry. The study…

Fluid Dynamics · Physics 2025-06-27 Pablo Cortes , Omar Lopez , Ramiro Medina , Gerardo Gordillo , Javier Guevara

Heated pipe flow is widely used in thermal engineering applications, but the presence of buoyancy force can cause intermittency, or multiple flow states at the same parameter values. Such changes in the flow lead to substantial changes in…

Fluid Dynamics · Physics 2025-01-22 Shijun Chu , Elena Marensi , Ashley P. Willis

Among numerous challenges to meet the rising global energy demand in a sustainable manner, improving phase change heat transfer has been at the forefront of engineering research for decades. The high heat transfer rates associated with…

We propose a thermodynamically consistent general-purpose model describing diffusion of a solute or a fluid in a solid undergoing possible phase transformations and damage, beside possible visco-inelastic processes. Also heat…

Mathematical Physics · Physics 2015-10-28 Tomas Roubicek , Giuseppe Tomassetti

We have studied diffusion pathways of a silyl radical adsorbed on the hydrogenated Si (100)-(2x1) surface by density-functional theory. The process is of interest for the growth of crystalline silicon by plasma-enhanced chemical vapor…

Materials Science · Physics 2008-03-31 Michele Ceriotti , Marco Bernasconi

We use extensive molecular dynamics simulations to calculate thermal conductivity and thermal diffusivity in two common molten salts, LiF and KCl. Our analysis includes the total thermal conductivity and intrinsic conductivity involving…

We describe results of computer simulations of steady state heat transport in a fluid of hard discs undergoing both elastic interparticle collisions and velocity randomizing collisions which do not conserve momentum. The system consists of…

Statistical Mechanics · Physics 2020-06-24 Pedro L. Garrido , Joel L. Lebowitz

This paper is devoted to the study of photothermal transformations in multilayered structures. As a modelled sample, porous silicon with a periodic distribution of the porosity was chosen. The spatial distribution of the optical properties…

Materials Science · Physics 2019-07-11 K. Dubyk , L. Chepela , P. Lishchuk , A. Belarouci , D. Lacroix , M. Isaiev

We review some recent results on finite dimensional spin glasses by studying recent numerical simulations and their relationship with experiments. In particular we will show results obtained at zero and non zero temperature, focusing in the…

Condensed Matter · Physics 2009-09-29 J. J. Ruiz-Lorenzo

We use molecular dynamics computer simulations to calculate the frequency dependence of the specific heat of a SiO_2 melt. The ions interact with the BKS potential and the simulations are done in the NVE ensemble. We find that the frequency…

Statistical Mechanics · Physics 2009-10-31 Peter Scheidler , Walter Kob , Jurgen Horbach , Kurt Binder

Electron excitations at silicon and 3C-SiC surfaces caused by an intense femtosecond laser pulse can be calculated by solving the time-dependent density functional theory and the Maxwell's equation simultaneously. The energy absorption,…

Applied Physics · Physics 2019-08-16 Tomohito Otobe

Using molecular dynamic simulations we study a waterlike model confined between two fixed hydrophobic plates. The system is tested for density, diffusion and structural anomalous behavior and compared with the bulk results. Within the range…

Chemical Physics · Physics 2013-03-06 Leandro Batirolla Krott , Marcia Cristina Bernardes Barbosa

It is known that 3D-ICs suffer from hot spot temperatures that can reach thousands of degrees, if they are not cooled to reasonable operating temperatures. The problem of hot spots is not limited to the high temperatures of the IC; thermal…

Applied Physics · Physics 2020-08-28 Sakib Islam , Ibrahim Abdel-Motaleb

This data set descriptor introduces a structured, high-resolution dataset of transient thermal simulations for a vertical axis of a machine tool test rig. The data set includes temperature and heat flux values recorded at 29 probe locations…

Computational Engineering, Finance, and Science · Computer Science 2025-09-23 C. Coelho , D. Fernández , M. Hohmann , L. Penter , S. Ihlenfeldt , O. Niggemann

This paper presents a very straightforward method to compute the transient thermal response to arbitrary power dissipation profiles in electronic devices with multiple heat sources. Using cubic spline interpolation of simulated or measured…

Materials Science · Physics 2007-09-13 D. Schweitzer

A characteristic feature of the non--equilibrium dynamics of real spin glasses at low temperatures are strong aging effects. These phenomena can be manipulated by changing the external parameters in various ways: a thermo-cycling experiment…

Condensed Matter · Physics 2009-10-22 Heiko Rieger

We study the mechanical fluctuations of a micrometer sized silicon cantilever subjected to a strong heat flow, thus having a highly non-uniform local temperature. In this non-equilibrium steady state, we show that fluctuations are…

Statistical Mechanics · Physics 2017-04-06 Mickael Geitner , Felipe Aguilar Sandoval , Eric Bertin , Ludovic Bellon

The changing thermal conductivity of an irradiated material is among the principal design considerations for any nuclear reactor, but at present few models are capable of predicting these changes starting from an arbitrary atomistic model.…

Materials Science · Physics 2021-11-25 Daniel R Mason , Abdallah Reza , Fredric Granberg , Felix Hofmann