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Topologically interlocking architectures can generate tough ceramics with attractive thermo-mechanical properties. This concept can make the material design pathway a challenging task, since modeling the whole design space is neither…

Computational Engineering, Finance, and Science · Computer Science 2023-05-22 Elham Kiyani , Hamidreza Yazdani Sarvestani , Hossein Ravanbakhsh , Razyeh Behbahani , Behnam Ashrafi , Meysam Rahmat , Mikko Karttunen

The helium I line intensity ratio (LIR) method is used to measure the electron density ($n_e$) and temperature ($T_e$) of fusion-relevant plasmas. Although the collisional-radiative model (CRM) has been used to predict $n_e$ and $T_e$,…

Plasma Physics · Physics 2025-06-26 Shin Kajita

Predicting the melting temperature (Tm) of multi-component and high-entropy alloys (HEAs) is critical for high-temperature applications but computationally expensive using traditional CALPHAD or DFT methods. In this work, we develop a…

Materials Science · Physics 2026-01-08 Mohd Hasnain

During the past decade, metal additive manufacturing (MAM) has experienced significant developments and gained much attention due to its ability to fabricate complex parts, manufacture products with functionally graded materials, minimize…

Machine Learning · Computer Science 2023-07-06 Sina Tayebati , Kyu Taek Cho

Recent years have seen a tremendous rise of two-dimensional (2D) magnetic materials, several of which verified experimentally. However, most of the theoretical predictions to date rely on ab-initio methods, at zero temperature and…

Statistical Mechanics · Physics 2020-08-11 Joren Vanherck , Cihan Bacaksiz , Bart Sorée , Milorad V. Milošević , Wim Magnus

Fe2Al5 contains a Fe-Al matrix through which are threaded disordered one-dimensional chains of overlapping Al sites. We report magnetic, nuclear-magnetic-resonance (NMR), and specific-heat measurements addressing its magnetic and…

The NASA/IPAC Extragalactic Database (NED) is a comprehensive online service that combines fundamental multi-wavelength information for known objects beyond the Milky Way and provides value-added, derived quantities and tools to search and…

Instrumentation and Methods for Astrophysics · Physics 2022-01-17 Tracy X. Chen , Rick Ebert , Joseph M. Mazzarella , Cren Frayer , Scott Terek , Ben H. P. Chan , David Cook , Tak Lo , Marion Schmitz , Xiuqin Wu

The development of modern civil industry, energy and information technology is inseparable from the rapid explorations of new materials, which are hampered by months to years of painstaking attempts, resulting in only a small fraction of…

Chemical Physics · Physics 2023-03-22 Zhilong Wang , Junfei Cai , An Chen , Yanqiang Han , Kehao Tao , Simin Ye , Shiwei Wang , Imran Ali , Jinjin Li

The mechanical and thermal performance of high-entropy ceramics are critical to their use in extreme conditions. However, the vast composition space of high-entropy ceramic significantly hinders their development with desired mechanical and…

Materials Science · Physics 2024-09-20 Yiwen Liu , Hong Meng , Zijie Zhu , Hulei Yu , Lei Zhuang , Yanhui Chu

We develop a neuroevolution-potential (NEP) framework for generating neural network based machine-learning potentials. They are trained using an evolutionary strategy for performing large-scale molecular dynamics (MD) simulations. A…

Computational Physics · Physics 2022-01-25 Zheyong Fan , Zezhu Zeng , Cunzhi Zhang , Yanzhou Wang , Haikuan Dong , Yue Chen , Tapio Ala-Nissila

We report the machine learning (ML)-based approach allowing thermoelectric generator (TEG) efficiency evaluation directly from 5 parameters: 2 physical properties - carriers density and energy gap, and 3 engineering parameters - external…

Materials Science · Physics 2024-08-23 Anastasiia Tukmakova , Patrizio Graziosi

This data set descriptor introduces a structured, high-resolution dataset of transient thermal simulations for a vertical axis of a machine tool test rig. The data set includes temperature and heat flux values recorded at 29 probe locations…

Computational Engineering, Finance, and Science · Computer Science 2025-09-23 C. Coelho , D. Fernández , M. Hohmann , L. Penter , S. Ihlenfeldt , O. Niggemann

The advent of material databases provides an unprecedented opportunity to uncover predictive descriptors for emergent material properties from vast data space. However, common reliance on high-throughput ab initio data necessarily inherits…

We demonstrate the ability of large language models (LLMs) to perform material and molecular property regression tasks, a significant deviation from the conventional LLM use case. We benchmark the Large Language Model Meta AI (LLaMA) 3 on…

Materials Science · Physics 2026-04-22 Ryan Jacobs , Maciej P. Polak , Lane E. Schultz , Hamed Mahdavi , Vasant Honavar , Dane Morgan

Strategies for machine-learning(ML)-accelerated discovery that are general across materials composition spaces are essential, but demonstrations of ML have been primarily limited to narrow composition variations. By addressing the scarcity…

Rechargeable Zn batteries with aqueous electrolytes have been considered as promising alternative energy storage technology, with various advantages such as low cost, high volumetric capacity, environmentally friendly, and high safety.…

Materials Science · Physics 2021-08-31 Linming Zhou , Archie Mingze Yao , Yongjun Wu , Ziyi Hu , Yuhui Huang , Zijian Hong

With the aim of improving the performance of classical paramagnetic salts for adiabatic refrigeration processes at the sub-Kelvin range, relevant thermodynamic parameters of some new Yb-based intermetallic compounds are analyzed and…

Materials Science · Physics 2018-07-24 Julian G. Sereni

Although ferromagnetism is in general a long-range collective phenomenon, it is possible to induce local spatial variations of magnetic properties in ferromagnetic materials. For example, systematic variation of the exchange coupling…

Materials Science · Physics 2018-08-08 B. J. Kirby , L. Fallarino , P. Riego , B. B. Maranville , Casey W. Miller , A. Berger

Machine learning approaches, enabled by the emergence of comprehensive databases of materials properties, are becoming a fruitful direction for materials analysis. As a result, a plethora of models have been constructed and trained on…

Quantitative understanding of rare earth element (REE) mineralization mechanisms, crucial for improving industrial separation, remains limited. This study leverages 1239 hydrothermal synthesis datapoints from material science as a surrogate…

Materials Science · Physics 2025-04-10 Juejing Liu , Xiaoxu Li , Yifu Feng , Zheming Wang , Kevin M. Rosso , Xiaofeng Guo , Xin Zhang
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