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Using the methodology of conditional-probability density functional theory, and several mild assumptions, we calculate the temperature-dependence of the Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA). This…

Chemical Physics · Physics 2023-08-17 John Kozlowski , Dennis Perchak , Kieron Burke

Although transient convection is ubiquitous in natural and manmade phenomena, few research works attempted to make a compact model for it, altogether, others attempted a compact model that contradicts problem physics. The correct modelling…

Fluid Dynamics · Physics 2025-10-07 M. N. Sabry , A. E. Hussin

This paper considers the creation of parametric surrogate models for applications in science and engineering where the goal is to predict high-dimensional spatiotemporal output quantities of interest, such as pressure, temperature and…

Computational Physics · Physics 2022-03-24 Chi Hoang , Kenny Chowdhary , Kookjin Lee , Jaideep Ray

The \emph{in situ} estimation of the thermal properties of existing building wall materials is a computationally expensive procedure. Its cost is highly proportional to the duration of measurements. To decrease the computational cost a…

Computational Engineering, Finance, and Science · Computer Science 2021-11-18 Ainagul Jumabekova , Julien Berger , Aurélie Foucquier , George S. Dulikravich

A two-dimensional model is proposed for energy efficiency assessment through the simulation of heat transfer in building envelopes, considering the influence of the surrounding environment. The model is based on the \DF ~approach that…

Computational Engineering, Finance, and Science · Computer Science 2021-11-18 Julien Berger , Suelen Gasparin , Walter Mazuroski , Nathan Mendes

In this paper we consider a geothermal energy storage in which the spatio-temporal temperature distribution is modeled by a heat equation with a convection term. Such storages often are embedded in residential heating systems and control…

Numerical Analysis · Mathematics 2022-09-30 Paul Honore Takam , Ralf Wunderlich

In this article, we demonstrate the novel use of Proper Generalized Decomposition (PGD) to separate the axial and, optionally, polar dimensions of neutron transport. Doing so, the resulting Reduced-Order Models (ROMs) can exploit the fact…

Numerical Analysis · Mathematics 2024-12-23 Kurt A. Dominesey , Wei Ji

This paper studies how to learn parameters in diagonal Gaussian mixture models. The problem can be formulated as computing incomplete symmetric tensor decompositions. We use generating polynomials to compute incomplete symmetric tensor…

Numerical Analysis · Mathematics 2021-06-10 Bingni Guo , Jiawang Nie , Zi Yang

This paper introduces deep Gaussian processes (DGPs) for geophysical parameter retrieval. Unlike the standard full GP model, the DGP accounts for complicated (modular, hierarchical) processes, provides an efficient solution that scales well…

We analyze an optimization problem of the conductivity in a composite material arising in a heat conduction energy storage problem. The model is described by the heat equation that specifies the heat exchange between two types of materials…

Optimization and Control · Mathematics 2024-04-01 M. Azaiez , A. Doubova , S. Ervedoza , F. Jelassi , M. Mint Brahim

Coarse-grained modeling in molecular simulations serves not only to extend accessible time and length scales beyond atomistic limits, but also to reduce high-dimensional chemical data to low-dimensional representations that expose the…

Chemical Physics · Physics 2026-05-19 Michael N. Sakano , Alejandro Strachan

The definition of partial differential equation (PDE) models usually involves a set of parameters whose values may vary over a wide range. The solution of even a single set of parameter values may be quite expensive. In many cases, e.g.,…

Numerical Analysis · Mathematics 2016-11-17 Max Gunzburger , Nan Jiang , Michael Schneier

In this work, we present an approach for the efficient treatment of parametrized geometries in the context of POD-Galerkin reduced order methods based on Finite Volume full order approximations. On the contrary to what is normally done in…

Numerical Analysis · Mathematics 2020-02-07 Giovanni Stabile , Matteo Zancanaro , Gianluigi Rozza

The particle proper orthogonal decomposition (PPOD) is demonstrated on cases of particle flows in decaying homogeneous isotropic turbulence. Data is generated through one-way coupled simulations, where particle positions and velocities are…

Fluid Dynamics · Physics 2022-05-30 Martin Schiødt , Azur Hodzic , Fabien Evrard , Berend van Wachem , Clara M. Velte

The problem of evaluating potential integrals on planar triangular elements has been addressed using a polar coordinate decomposition. The resulting formulae are general, exact, easily implemented, and have only one special case, that of a…

Numerical Analysis · Mathematics 2013-03-01 Michael Carley

Ordinary differential equations (ODEs) are widely used to describe dynamical systems in science, but identifying parameters that explain experimental measurements is challenging. In particular, although ODEs are differentiable and would…

Machine Learning · Computer Science 2024-07-22 Jonas Beck , Nathanael Bosch , Michael Deistler , Kyra L. Kadhim , Jakob H. Macke , Philipp Hennig , Philipp Berens

The heat-balance integral method of Goodman is studied with two simple 1-D heat conduction problems with prescribed temperature and flux boundary conditions. These classical problems with well known exact solutions enable to demonstrate the…

Mathematical Physics · Physics 2010-12-14 Jordan Hristov

Present knowledge of the function of materials is largely based on studies (experimental and theoretical) that are performed at low temperatures and ultra-low pressures. However, the majority of everyday applications, like e.g. catalysis,…

Materials Science · Physics 2009-11-07 Karsten Reuter , Matthias Scheffler

In this paper, we present first-order accurate numerical methods for solution of the heat equation with uncertain temperature-dependent thermal conductivity. Each algorithm yields a shared coefficient matrix for the ensemble set improving…

Numerical Analysis · Mathematics 2021-06-08 J. A. Fiordilino , M. Winger

Most of the thermodynamic analysis of ovens are focused on efficiency, but they need to behaves under real-life conditions, then the effectiveness of the ovens plays a crucial role in their design. In this paper we present a thermodynamical…

Popular Physics · Physics 2011-09-06 Saul Tapia , J. Antonio del Rio
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