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Accurate characterization of temperature-dependent thermoelectric properties (TEPs), such as thermal conductivity and the Seebeck coefficient, is essential for reliable modeling and efficient design of thermoelectric devices. However, their…

Materials Science · Physics 2025-06-11 Hyeonbin Moon , Songho Lee , Wabi Demeke , Byungki Ryu , Seunghwa Ryu

Numerical methods such as finite element have been flourishing in the past decades for modeling solid mechanics problems via solving governing partial differential equations (PDEs). A salient aspect that distinguishes these numerical…

Numerical Analysis · Mathematics 2020-06-16 Chengping Rao , Hao Sun , Yang Liu

Predicting nanoscale thermal transport in dielectrics requires models, such as the Boltzmann transport equation (BTE), that account for phonon boundary scattering in structures with complex geometries. Although the BTE has been validated…

Materials Science · Physics 2023-08-03 S. Aria Hosseini , Alex Greaney , Giuseppe Romano

Physics-informed neural networks (PINNs) constitute a flexible approach to both finding solutions and identifying parameters of partial differential equations. Most works on the topic assume noiseless data, or data contaminated with weak…

Machine Learning · Statistics 2024-06-21 Philipp Pilar , Niklas Wahlström

This paper introduces JAX-BTE, a GPU-accelerated, differentiable solver for the phonon Boltzmann Transport Equation (BTE) based on differentiable programming. JAX-BTE enables accurate, efficient and differentiable multiscale thermal…

Computational Physics · Physics 2025-04-02 Wenjie Shang , Jiahang Zhou , J. P. Panda , Zhihao Xu , Yi Liu , Pan Du , Jian-Xun Wang , Tengfei Luo

Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors and energy conversion devices. Computational modeling can accurately predict materials properties but, in order to…

We develop a computational framework, based on the Boltzmann transport equation, with the ability to compute the thermal transport in nanostructured materials of any geometry using as the only input the bulk thermal conductivity…

Mesoscale and Nanoscale Physics · Physics 2014-10-20 Giuseppe Romano , Jeffrey C. Grossman

We introduce a physics-informed neural network (PINN) method to study thermoacoustic interactions leading to combustion instability in combustors. Specifically, we employ a PINN to investigate thermoacoustic interactions in a bluff body…

Fluid Dynamics · Physics 2024-10-18 Sathesh Mariappan , Kamaljyoti Nath , George Em Karniadakis

Although the Boltzmann transport equation (BTE) has been exploited to investigate non-diffusive phonon transport for decades, due to the challenges of solving this integro-differential equation, most standard techniques for thermal…

Materials Science · Physics 2024-08-13 Tao Li , Bo Jiang , Zhen Chen

In this book chapter we provide the definition of "Simulating Nanoscale Heat Transport", broadly regarded as modeling heat conduction beyond Fourier's law. We primarely focus on incoherent transport, which is dominated by scattering between…

Materials Science · Physics 2015-06-22 Giuseppe Romano , Jean-Philippe Peraud , Jeffrey C. Grossman

We present a general coupled electron-phonon Boltzmann transport equations (BTEs) scheme designed to capture the mutual drag of the two interacting systems. By combining density functional theory based first principles calculations of…

Materials Science · Physics 2020-02-19 Nakib H. Protik , David A. Broido

Physics-informed neural network (PINN) is a data-driven solver for partial and ordinary differential equations(ODEs/PDEs). It provides a unified framework to address both forward and inverse problems. However, the complexity of the…

Machine Learning · Computer Science 2024-01-17 Abdul Hannan Mustajab , Hao Lyu , Zarghaam Rizvi , Frank Wuttke

We study numerical algorithms to solve a specific Partial Differential Equation (PDE), namely the Stefan problem, using Physics Informed Neural Networks (PINNs). This problem describes the heat propagation in a liquid-solid phase change…

Numerical Analysis · Mathematics 2024-10-21 Bahae-Eddine Madir , Francky Luddens , Corentin Lothodé , Ionut Danaila

In this work, we study physics-informed neural networks (PINNs) constrained by partial differential equations (PDEs) and their application in approximating PDEs with two characteristic scales. From a continuous perspective, our formulation…

Optimization and Control · Mathematics 2024-09-06 Michael Hintermüller , Denis Korolev

Partial differential equations (PDEs) are an essential computational kernel in physics and engineering. With the advance of deep learning, physics-informed neural networks (PINNs), as a mesh-free method, have shown great potential for fast…

Machine Learning · Computer Science 2023-06-19 Junjun Yan , Xinhai Chen , Zhichao Wang , Enqiang Zhoui , Jie Liu

Physics-Informed Neural Networks (PINNs) are a class of deep learning models aiming to approximate solutions of PDEs by training neural networks to minimize the residual of the equation. Focusing on non-equilibrium fluctuating systems, we…

Machine Learning · Computer Science 2025-09-25 Javier Castro , Benjamin Gess

In this research, the application of the Physics-Informed Neural Network (PINN) model is explored to solve transport equation-based Partial Differential Equations (PDEs). The primary objective is to analyze the impact of different…

Machine Learning · Computer Science 2023-12-04 Akshansh Mishra

almaBTE is a software package that solves the space- and time-dependent Boltzmann transport equation for phonons, using only ab-initio calculated quantities as inputs. The program can predictively tackle phonon transport in bulk crystals…

Heterogeneous computing environments combining CPU and GPU resources provide a great boost to large-scale scientific computing applications. Code generation utilities that partition the work into CPU and GPU tasks while considering data…

Computational Engineering, Finance, and Science · Computer Science 2023-06-01 Eric Heisler , Siddharth Saurav , Aadesh Deshmukh , Sandip Mazumder , Ponnuswamy Sadayappan , Hari Sundar

The physics informed neural network (PINN) is a promising method for solving time-evolution partial differential equations (PDEs). However, the standard PINN method may fail to solve the PDEs with strongly nonlinear characteristics or those…

Numerical Analysis · Mathematics 2023-06-08 Jiawei Guo , Yanzhong Yao , Han Wang , Tongxiang Gu