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In the paper, we present an integrated data-driven modeling framework based on process modeling, material homogenization, mechanistic machine learning, and concurrent multiscale simulation. We are interested in the injection-molded short…

Computational Engineering, Finance, and Science · Computer Science 2020-03-24 Zeliang Liu , Haoyan Wei , Tianyu Huang , C. T. Wu

Artificial intelligence and machine learning have shown great promise in their ability to accelerate novel materials discovery. As researchers and domain scientists seek to unify and consolidate chemical knowledge, the case for models with…

Due to their abundant use in all-solid-state lasers, nonlinear optical (NLO) crystals are needed for many applications across diverse fields such as medicine and communication. However, because of conflicting requirements, the design of…

Materials Science · Physics 2025-08-13 Victor Trinquet , Matthew L. Evans , Gian-Marco Rignanese

To leverage advancements in machine learning for metallic materials design and property prediction, it is crucial to develop a data-reduced representation of metal microstructures that surpasses the limitations of current physics-based…

Liquid metals (LM) are embedded in an elastomer matrix to obtain soft composites with unique thermal, dielectric, and mechanical properties. They have applications in soft robotics, biomedical engineering, and wearable electronics. By…

Materials Science · Physics 2025-07-25 Abhijith Thoopul Anantharanga , Mohammad Saber Hashemi , Azadeh Sheidaei

Functionally Graded Materials (FGMs) made of soft constituents have emerged as promising material-structure systems in potential applications across many engineering disciplines, such as soft robots, actuators, energy harvesting, and tissue…

Computational Engineering, Finance, and Science · Computer Science 2025-07-01 Shiguang Deng , Horacio D. Espinosa , Wei Chen

Many important multi-component crystalline solids undergo mechanochemical spinodal decomposition: a phase transformation in which the compositional redistribution is coupled with structural changes of the crystal, resulting in dynamically…

Computational Engineering, Finance, and Science · Computer Science 2023-07-19 Xiaoxuan Zhang , Krishna Garikipati

When designing materials to optimize certain properties, there are often many possible configurations of designs that need to be explored. For example, the materials' composition of elements will affect properties such as strength or…

Machine Learning · Computer Science 2025-03-20 Shaan Pakala , Dawon Ahn , Evangelos Papalexakis

The development by machine learning of models predicting materials' properties usually requires the use of a large number of consistent data for training. However, quality experimental datasets are not always available or self-consistent.…

Materials Science · Physics 2019-01-29 Kai Yang , Xinyi Xu , Benjamin Yang , Brian Cook , Herbert Ramos , Mathieu Bauchy

Much attention has been focused on the design of low barrier nanomagnets (LBM), whose magnetizations vary randomly in time owing to thermal noise, for use in binary stochastic neurons (BSN) which are hardware accelerators for machine…

Mesoscale and Nanoscale Physics · Physics 2023-01-24 Md Ahsanul Abeed , Supriyo Bandyopadhyay

Machine-learning (ML) techniques have revolutionized a host of research fields of chemical and materials science with accelerated, high-efficiency discoveries in design, synthesis, manufacturing, characterization and application of novel…

Materials Science · Physics 2021-08-31 Zhexu Xi

This paper addresses the problem of evaluating the quality of finite element meshes for the purpose of structural mechanic simulations. It proposes the application of a machine learning model trained on data collected from expert…

Machine Learning · Computer Science 2021-07-23 Joachim Sprave , Christian Drescher

Algorithms for machine learning-guided design, or design algorithms, use machine learning-based predictions to propose novel objects with desired property values. Given a new design task -- for example, to design novel proteins with high…

Machine Learning · Computer Science 2025-07-04 Clara Fannjiang , Ji Won Park

A computer simulation has to be fast to be helpful, if it is employed to study the behavior of a multicomponent dynamic system. This paper discusses modeling concepts and algorithmic techniques useful for creating such fast simulations.…

Data Structures and Algorithms · Computer Science 2007-05-23 Boris D. Lubachevsky

Laser machining is a highly flexible non-contact manufacturing technique that has been employed widely across academia and industry. Due to nonlinear interactions between light and matter, simulation methods are extremely crucial, as they…

Computational Engineering, Finance, and Science · Computer Science 2023-01-04 Razyeh Behbahani , Hamidreza Yazdani Sarvestani , Erfan Fatehi , Elham Kiyani , Behnam Ashrafi , Mikko Karttunen , Meysam Rahmat

Molecular dynamics (MD) has become a powerful tool for studying biophysical systems, due to increasing computational power and availability of software. Although MD has made many contributions to better understanding these complex…

Computational Physics · Physics 2019-09-27 Yihang Wang , Joao Marcelo Lamim Ribeiro , Pratyush Tiwary

A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior examples have demonstrated successful models for some applications,…

Materials Science · Physics 2016-08-29 Logan Ward , Ankit Agrawal , Alok Choudhary , Christopher Wolverton

Advanced engineering materials design involves the exploration of massive multidimensional feature spaces, the correlation of materials properties and the processing parameters derived from disparate sources. The search for alternative…

Artificial Intelligence · Computer Science 2013-01-03 Doreswamy , M. N. Vanajakshi

The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…

Superconductivity · Physics 2023-01-26 Lazar Novakovic , Ashkan Salamat , Keith V. Lawler

The layering approach used in fused filament fabrication (FFF) enables creation of complex designs generated by topology optimization. Defects associated with the layer-by-layer process, introduce considerable random variability to the…

Materials Science · Physics 2024-09-04 Zahra Kazemi , Craig A. Steeves
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