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We discuss the theory and implementation of the finite temperature coupled cluster singles and doubles (FT-CCSD) method including the equations necessary for an efficient implementation of response properties. Numerical aspects of the…

化学物理 · 物理学 2021-07-07 Alec F. White , Garnet Kin-Lic Chan

Nuclear fission reactors are abundant sources of antineutrinos. The flux and spectrum of antineutrinos emitted by a reactor can indicate its activity and composition, suggesting potential applications of neutrino measurements beyond…

We examine a new family of global analytic solutions for optically thick accretion disks, which includes the supercritical accretion regime. We found that the ratio of the advection cooling rate, $Q_{\rm adv}$, to the viscous heating rate,…

天体物理学 · 物理学 2016-08-30 K. Watarai

Accurate prediction of molecular vibrational frequencies is important to identify spectroscopic signatures and reaction thermodynamics. In this work, we develop a method to quantify uncertainty associated with density functional theory…

化学物理 · 物理学 2019-03-13 Holden L. Parks , Alan. J. H. McGaughey , Venkatasubramanian Viswanathan

Effective utilization of flexible loads for grid services, while satisfying end-user preferences and constraints, requires an accurate estimation of the aggregated predictive flexibility offered by the electrical loads. Virtual battery (VB)…

系统与控制 · 电气工程与系统科学 2020-03-20 Indrasis Chakraborty , Sai Pushpak Nandanoori , Soumya Kundu , Karanjit Kalsi

Proactive maintenance strategies, such as Predictive Maintenance (PdM), play an important role in the operation of Nuclear Power Plants (NPPs), particularly due to their capacity to reduce offline time by preventing unexpected shutdowns…

The evolution of an attractive polarized two-component Fermi gas at zero temperature is analyzed as its polarization is progressively decreased, from full polarization (corresponding to the polaronic limit) down to a critical polarization…

量子气体 · 物理学 2023-02-15 Michele Pini , Pierbiagio Pieri , Giancarlo Calvanese Strinati

A combined convolutional autoencoder-recurrent neural network machine learning model is presented to analyse and forecast the dynamics and low-order statistics of the local convective heat flux field in a two-dimensional turbulent…

流体动力学 · 物理学 2022-04-13 Sandeep Pandey , Philipp Teutsch , Patrick Mäder , Jörg Schumacher

We theoretically investigate a quantum heat diode based on two interacting flux qubits coupled to two heat baths. Rectification of heat currents is achieved by asymmetrically coupling the qubits to the reservoirs modelled as dissipative…

介观与纳米尺度物理 · 物理学 2021-05-25 Andrea Iorio , Elia Strambini , Géraldine Haack , Michele Campisi , Francesco Giazotto

The direct correlation function of a fluid mixture of parallel hard cubes is obtained by using Rosenfeld's fundamental measure approximation. This approximation is thermodynamically consistent (compressibility and virial equations of state…

凝聚态物理 · 物理学 2009-10-28 Jose A. Cuesta

We present a list of optimized damping range parameters $s_R$ to be used with the Tkatchenko-Scheffler van der Waals dispersion-correction scheme [Phys. Rev. Lett. 102, 073005 (2009)]. The optimal $s_R$ are obtained for seven popular…

材料科学 · 物理学 2017-04-25 Miguel A. Caro

Results from numerical simulations of polymers under shear flow are compared with predictions for shear banding based on a model coupling Rolie-Poly-like tube dynamics to the entanglement dynamics mediated by Convected Constraint Release…

软凝聚态物质 · 物理学 2026-04-07 Lucas L. Nelson , Gary S. Grest , Peter D. Olmsted

We study the superfluid critical temperature in a two-band attractive Fermi system with strong pairing fluctuations associated with both interband and intraband couplings. We focus specifically on a configuration where the intraband…

量子气体 · 物理学 2019-06-05 Hiroyuki Tajima , Yuriy Yerin , Andrea Perali , Pierbiagio Pieri

Precise temperature measurement at micro/nanoscale is crucial across various domains including physical sciences, chemical processes, industrial production, medical diagnosis, weather forecasting, electronics, and biology. Micro/nanoscale…

应用物理 · 物理学 2025-03-25 Hassan Irshad Bhatti

We investigate the specific heat at constant volume $C_V$ in the BCS (Bardeen-Cooper-Schrieffer)-BEC (Bose-Einstein condensation) crossover regime of an ultracold Fermi gas above the superfluid phase transition temperature $T_{\rm c}$.…

量子气体 · 物理学 2016-02-03 Pieter van Wyk , Hiroyuki Tajima , Ryo Hanai , Yoji Ohashi

Cuprates, a member of high-Tc superconductors, have been on the long-debate on their superconducting mechanism, so that predicting the critical temperature of cuprates still remains elusive. Herein, using machine learning and first…

超导电性 · 物理学 2021-07-12 Donggun Lee , Daegun You , Dongwoo Lee , Xin Li , Sooran Kim

This study presents a machine learning approach to predict the Curie temperature in binary alloys, specifically focusing on the Fe-Pt, Fe-Ni, Fe-Pd, and Co-Pt compounds within a concentration range of 10 to 90 atomic percent. The optimal…

材料科学 · 物理学 2025-09-23 Svitlana Ponomarova , Oleksandr Ponomarov , Yurii Koval

This article deals with the error estimates for numerical approximations of the entropy solutions of coupled systems of nonlocal hyperbolic conservation laws. The systems can be strongly coupled through the nonlocal coefficient present in…

数值分析 · 数学 2023-08-04 Aekta Aggarwal , Helge Holden , Ganesh Vaidya

First-principles calculation of the standard formation enthalpy, $\Delta H_f^\circ$ (298K), in such large scale as required by chemical space explorations, is amenable only with density functional approximations (DFAs) and some composite…

化学物理 · 物理学 2021-02-24 Sambit Kumar Das , Sabyasachi Chakraborty , Raghunathan Ramakrishnan

The shear viscosity of liquid cobalt at the pressure $p=1.5$~bar and at the temperatures corresponding to equilibrium liquid and supercooled liquid states is measured experimentally and evaluated by means of molecular dynamics simulations.…

材料科学 · 物理学 2018-06-07 R. M. Khusnutdinoff , A. V. Mokshin , A. L. Beltyukov , N. V. Olyanina