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Data-driven machine learning (ML) has demonstrated tremendous potential in material property predictions. However, the scarcity of materials data with costly property labels in the vast chemical space presents a significant challenge for ML…

Materials Science · Physics 2025-03-24 Mengfan Wu , Shenshen Yan , Jie Ren

We devised a general heterogeneous microstructural design methodology applied to a specific material system, elasto-electro-active piezoelectric ceramic embedded plastics, which has great potential in sensing, 5G communication, and energy…

Materials Science · Physics 2025-07-25 Mohammad Saber Hashemi , Khiem Nguyen , Levi Kirby , Xuan Song , Azadeh Sheidaei

The mathematical formulation of constitutive models to describe the path-dependent, i.e., inelastic, behavior of materials is a challenging task and has been a focus in mechanics research for several decades. There have been increased…

Computational Engineering, Finance, and Science · Computer Science 2023-09-06 Max Rosenkranz , Karl A. Kalina , Jörg Brummund , Markus Kästner

Neural operators, which can act as implicit solution operators of hidden governing equations, have recently become popular tools for learning the responses of complex real-world physical systems. Nevertheless, most neural operator…

Materials Science · Physics 2024-01-12 Siavash Jafarzadeh , Stewart Silling , Ning Liu , Zhongqiang Zhang , Yue Yu

The calculation of thermodynamic properties of biochemical systems typically requires the use of resource-intensive molecular simulation methods. One example thereof is the thermodynamic profiling of hydration sites, i.e. high-probability…

Biomolecules · Quantitative Biology 2020-01-08 Ahmadreza Ghanbarpour , Amr H. Mahmoud , Markus A. Lill

Thermal Energy Storage (TES) using Phase Change Materials (PCMs) represents a critical technology for sustainable energy management and grid stability. This study presents a novel Physics-Driven Deep Learning (PDDL) framework for modeling…

Mathematical Physics · Physics 2025-12-02 Meraj Hassanzadeh , Ehsan Ghaderi , Fatemeh Fatahi , Mohamad Ali Bijarchi

Fiber reinforcement and polymer matrix respond differently to manufacturing conditions due to mismatch in coefficient of thermal expansion and matrix shrinkage during curing of thermosets. These heterogeneities generate residual stresses…

Computational Engineering, Finance, and Science · Computer Science 2026-05-04 Elham Kiyani , Amit Makarand Deshpande , Madhura Limaye , Zhiwei Gao , Zongren Zou , Sai Aditya Pradeep , Srikanth Pilla , Gang Li , Zhen Li , George Em Karniadakis

This work presents a physics-informed neural network (PINN) based framework to model the strain-rate and temperature dependence of the deformation fields in elastic-viscoplastic solids. To avoid unbalanced back-propagated gradients during…

Materials Science · Physics 2022-11-24 Rajat Arora , Pratik Kakkar , Biswadip Dey , Amit Chakraborty

Thermoelectric materials can be used to construct devices which recycle waste heat into electricity. However, the best known thermoelectrics are based on rare, expensive or even toxic elements, which limits their widespread adoption. To…

Materials Science · Physics 2022-12-14 Luis M. Antunes , Keith T. Butler , Ricardo Grau-Crespo

In material science, models are derived to predict emergent material properties (e.g. elasticity, strength, conductivity) and their relations to processing conditions. A major drawback is the calibration of model parameters that depend on…

Neural and Evolutionary Computing · Computer Science 2021-11-22 Gabriel Kronberger , Evgeniya Kabliman , Johannes Kronsteiner , Michael Kommenda

We propose a methodology that combines generative latent diffusion models with physics-informed machine learning to generate solutions of parametric partial differential equations (PDEs) conditioned on partial observations, which includes,…

Machine Learning · Computer Science 2026-02-11 Davide Gallon , Philippe von Wurstemberger , Patrick Cheridito , Arnulf Jentzen

The identification of material parameters occurring in constitutive models has a wide range of applications in practice. One of these applications is the monitoring and assessment of the actual condition of infrastructure buildings, as the…

Machine Learning · Computer Science 2023-06-14 David Anton , Henning Wessels

This paper is aimed at using the newly developing field of physics informed machine learning (PIML) to develop models for predicting the remaining useful lifetime (RUL) aircraft engines. We consider the well-known benchmark NASA Commercial…

Machine Learning · Computer Science 2024-06-25 Sriram Nagaraj , Truman Hickok

Despite the immense success of neural networks in modeling system dynamics from data, they often remain physics-agnostic black boxes. In the particular case of physical systems, they might consequently make physically inconsistent…

The scientific computation of large deformations in elastic-plastic solids is crucial in various manufacturing applications. Traditional numerical methods exhibit several inherent limitations, prompting Deep Learning (DL) as a promising…

Artificial Intelligence · Computer Science 2026-01-16 Jianheng Tang , Shilong Tao , Zhe Feng , Haonan Sun , Menglu Wang , Zhanxing Zhu , Yunhuai Liu

A physics-informed neural network is presented for poroelastic problems with coupled flow and deformation processes. The governing equilibrium and mass balance equations are discussed and specific derivations for two-dimensional cases are…

Computational Engineering, Finance, and Science · Computer Science 2020-10-30 Yared W. Bekele

The dissipative particle dynamics (DPD) simulation method has been shown to be a promising tool to study self-assembly of soft matter systems. In particular, it has been used to study block copolymer (BCP) self-assembly. However, previous…

Soft Condensed Matter · Physics 2020-01-08 Hejin Huang , Alfredo Alexander-Katz

Delicate cloth simulations have long been desired in computer graphics. Various methods were proposed to improve engaged force interactions, collision handling, and numerical integrations. Deep learning has the potential to achieve fast and…

Graphics · Computer Science 2025-01-20 Zhiwei Zhao

This paper presents a deep learning strategy to simultaneously solve Partial Differential Equations (PDEs) and back-calculate their parameters in the context of deep tunnel excavation. A Physics-Informed Neural Network (PINN) model is…

Computational Physics · Physics 2026-05-29 Alec Tristani , Chloé Arson

Melt pool dynamics in metal additive manufacturing (AM) is critical to process stability, microstructure formation, and final properties of the printed materials. Physics-based simulation including computational fluid dynamics (CFD) is the…

Machine Learning · Computer Science 2023-07-25 R. Sharma , W. Grace Guo , M. Raissi , Y. B. Guo
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