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We investigate the aggregation transition of theta polymers in spherical confinement with multicanonical simulations. This allows for a systematic study of the effect of density on the aggregation transition temperature for up to 24…

Soft Condensed Matter · Physics 2014-12-04 Johannes Zierenberg , Marco Mueller , Philipp Schierz , Martin Marenz , Wolfhard Janke

The isostructural {\alpha}-{\gamma} phase transition in cerium is analyzed using density-functional theory with different exchange-correlation functionals, in particular the PBE0 hybrid functional and the exact- exchange plus correlation in…

Strongly Correlated Electrons · Physics 2015-06-11 Marco Casadei , Xinguo Ren , Patrick Rinke , Angel Rubio , Matthias Scheffler

The readout electronics of a Micromegas (MM) module consume nearly 26 W of electric power, which causes the temperature of electronic board to increase upto $70\,^{\circ}{\rm C}$. Increase in temperature results in damage of electronics.…

This paper describes the developed setup and characterization approach for full two-port calibrated S-parameter measurements at cryogenic temperatures, together with a complete uncertainty budget. The system developed at the Istituto…

The goals of reducing energy costs, shifting electricity peaks, increasing the use of renewable energy, and enhancing the stability of the electric grid can be met in part by fully exploiting the energy flexibility potential of buildings…

Phase-change materials (PCMs) are the subject of considerable interest because they have been recognized as potential active layers for next-generation non-volatile memory devices, known as Phase Change Random Access Memories (PRAMs). By…

Materials Science · Physics 2015-05-14 M. Micoulaut , J-Y. Raty , C. Otjacques , C. Bichara

Major challenges of micro thermal machines are the thermal insulation and mechanical tolerance in the case of sliding piston. Switching from piston to membrane in microengines can alleviate the latest and lead to planar architectures.…

Classical Physics · Physics 2013-01-22 Fabien Formosa , Adrien Badel , Hugues Favrelière

We report the results of Monte Carlo simulations investigating the effect of a spherical confinement within a simple model for a flexible homopolymer. We use the parallel tempering method combined with multi-histogram reweighting analysis…

Soft Condensed Matter · Physics 2012-12-27 M. Marenz , J. Zierenberg , H. Arkin , W. Janke

Half-space directed polymers in random environments are models of interface growth in the presence of an attractive hard wall. They arise naturally in the study of wetting and entropic repulsion phenomena. In 1985, Kardar predicted a…

Probability · Mathematics 2024-10-22 Victor Ginsburg

Quantum-accurate computer simulations play a central role in understanding phase-change materials (PCMs) for advanced memory technologies. However, direct quantum-mechanical simulations are necessarily limited to simplified models,…

Materials Science · Physics 2022-09-20 Yuxing Zhou , Wei Zhang , En Ma , Volker L. Deringer

Stratified spin-up experiments in enclosed cylinders have reported the presence of small pockets of well-mixed fluids but quantitative measurements of the mixedness of the fluid has been lacking. Previous numerical simulations have not…

Fluid Dynamics · Physics 2015-06-18 Meline Baghdasarian , Arturo Pacheco-Vega , J. Rafael Pacheco , Roberto Verzicco

Understanding phase stability and phase transformations is central to predicting material behavior under varying thermodynamic conditions. One of the earliest and most influential applications of density functional theory in materials…

Materials Science · Physics 2026-05-08 Lucas Svensson , Babak Sadigh , Christine Wu , Paul Erhart

This work deals with numerical simulation of water freezing and thawing in a complex three-dimensional geometry of a porous medium. The porous structure is represented by a virtual container filled with glass beads. Phase transition…

Computational Physics · Physics 2024-07-23 Pavel Strachota

This work presents a detailed mathematical model combined with an innovative efficient numerical model to predict heat, air and moisture transfer through porous building materials. The model considers the transient effects of air transport…

Applied Physics · Physics 2020-02-20 Julien Berger , Denys Dutykh , Nathan Mendes , Bolatbek Rysbaiuly

Polyimide (PI) thin films are widely used in advanced technologies, yet accurate characterization of their thermal properties remains challenging, as evidenced by significant inconsistencies in reported data and an incomplete understanding…

Applied Physics · Physics 2026-04-15 Bingjiang Zhang , Dihui Wang , Tao Chen , Heng Ban , Puqing Jiang

Photonic computing using chalcogenide phase-change materials (PCMs) is under active development for energy-efficient artificial intelligence (AI) applications. A key requirement is to enable as many optically programmable levels per device…

Below the critical temperature $T_c\simeq 600 K$, an iso-structural transition, named $\gamma$-$\alpha$ transition,can be induced in Cerium by applying pressure. This transition is first-order, and is accompanied by a sizable volume…

Strongly Correlated Electrons · Physics 2017-02-15 Nicola Lanatà , Yong-Xin Yao , Cai-Zhuang Wang , Kai-Ming Ho , Jörg Schmalian , Kristjan Haule , Gabriel Kotliar

We propose an analytical framework to design actively tunable narrowband thermal emitters at infrared frequencies. We exemplify the proposed design rules using phase-change materials (PCM), considering dielectric-to-dielectric PCMs (e.g.…

To elucidate the geometric structure of the putative room temperature superconductor, carbonaceous sulfur hydride, at high pressure, we present the results of an extensive computational structure search of bulk C-S-H at 250 gigapascals.…

Superconductivity · Physics 2024-12-05 Moritz Gubler , José A. Flores-Livas , Anton Kozhevnikov , Stefan Goedecker

Programmability in femtosecond-laser-written integrated circuits is commonly achieved with the implementation of thermal phase shifters. Recent work has shown how such phase shifters display significantly reduced power dissipation and…