Results 51 to 60 of about 53,841 (260)

What Do Large Language Models Know About Materials?

Advanced Engineering Materials, EarlyView.
If large language models (LLMs) are to be used inside the material discovery and engineering process, they must be benchmarked for the accurateness of intrinsic material knowledge. The current work introduces 1) a reasoning process through the processing–structure–property–performance chain and 2) a tool for benchmarking knowledge of LLMs concerning ...
Adrian Ehrenhofer, Thomas Wallmersperger, Gianaurelio Cuniberti   +2 more
wiley   +1 more source

NFDI MatWerk Ontology (MWO): A BFO‐Compliant Ontology for Research Data Management in Materials Science and Engineering

Advanced Engineering Materials, EarlyView.
This article presents the NFDI‐MatWerk Ontology (MWO), a Basic Formal Ontology‐based framework for interoperable research data management in materials science and engineering (MSE). Covering consortium structures, research data management resources, services, and instruments, MWO enables semantic integration, Findable, Accessible, Interoperable, and ...
Hossein Beygi Nasrabadi, Ebrahim Norouzi, Kostiantyn Hubaiev, Jörg Waitelonis, Harald Sack   +4 more
wiley   +1 more source

Thermodynamic Pathways of Nonequilibrium Solidification in Wire‐Arc Additive Manufacturing Fe‐Based Multicomponent Alloy Structures

Advanced Engineering Materials, EarlyView.
Geometry‐driven thermal behavior in wire‐arc additive manufacturing (WAAM) influences microstructural evolution during nonequilibrium solidification of a chemically complex Fe–Cr–Nb–W–Mo–C nanocomposite system. By comparing different deposits configurations, distinct entropy–cooling rate correlations, segregation, and carbide evolution are revealed ...
Blanca Palacios, Anthony Gonzalez, Aleksander Aleman, Tyler Dolmetsch, Tanaji Paul, Arvind Agarwal   +5 more
wiley   +1 more source

A thermodynamic assessment of precipitation, growth, and control of MnS inclusion in U75V heavy rail steel

High Temperature Materials and Processes, 2021
Thermodynamic analysis of the precipitation behavior, growth kinetic, and control mechanism of MnS inclusion in U75V heavy rail steel was conducted in this study.
Ren Wen-Qiang, Wang Lu, Xue Zheng-Liang, Li Cheng-Zhi, Zhu Hang-Yu, Huang Ao, Li Chang   +6 more
doaj   +1 more source

Combined Process‐ and Phase‐Field‐Simulation to Predict the Microstructure of Single‐Crystal Ni‐Based Superalloys

Advanced Engineering Materials, EarlyView.
A combined finite element and phase‐field approach predicts the evolution of microstructure during the directional solidification of Ni‐based superalloys. The model reveals how withdrawal rate, temperature gradient, and wall thickness control the dendrite spacing, highlighting the strong effect of surface regions in thin sections where dendrite growth ...
Sean Böhm, André B. Baldissera, Rainer Völkl, Uwe Glatzel   +3 more
wiley   +1 more source

Towards Defect Phase Diagrams: From Research Data Management to Automated Workflows

Advanced Engineering Materials, EarlyView.
A research data management infrastructure is presented for the systematic integration of heterogeneous experimental and simulation data required for defect phase diagrams. The approach combines openBIS with a companion application for large‐object storage, automated metadata extraction, provenance tracking and federated data access, thereby supporting ...
Khalil Rejiba, Sang‐Hyeok Lee, Christina Gasper, Martina Freund, Sandra Korte‐Kerzel, Ulrich Kerzel   +5 more
wiley   +1 more source

Creating Ti–Fe α/β Alloys by Diffusion‐Driven Solid‐State Processing

Advanced Engineering Materials, EarlyView.
This study proposes making alloys containing fast diffusing elements that are difficult to produce by ingot metallurgy, by diffusion‐driven solid‐state HIP processing of elemental powders and low‐temperature homogenisation. Here, novel Fe‐Ti α–β alloys are formed having fine α–β lamellae, a small β prior grain size without significant intermetallics ...
Jiaqi Xu, Xun Zhang, Jack M. Donoghue, Albert D. Smith, Rahul Unnikrishnan, Rhys Thomas, Vahid Nekouie, Jie Luo, Dongchen Hu, Michael Preuss, Philip J. Withers   +10 more
wiley   +1 more source

Thermodynamics of solids including anharmonicity through quasiparticle theory

npj Computational Materials
The quasiharmonic approximation (QHA) in combination with density-functional theory is the main computational method used to calculate thermodynamic properties under arbitrary temperature and pressure conditions.
Ernesto J. Blancas, Álvaro Lobato, Fernando Izquierdo-Ruiz, Antonio M. Márquez, J. Manuel Recio, Pinku Nath, José J. Plata, Alberto Otero-de-la-Roza   +7 more
doaj   +1 more source

Construction of the equation of a state octafluorocyclobutane in area superheated steam and supercritical parameters

Известия высших учебных заведений: Проблемы энергетики, 2017
On the basis of the spent experimental researches of density C4F8 and given other authors the new equation of a state is constructed. The equation provides calculation of thermodynamic properties in superheated steam area and supercritical parameters of ...
K. I. Kuznetsov, A. A. Sukhih, V. F. Utenkov, S. V. Skorodumov, P. P. Granchenko   +4 more
doaj   +1 more source

A Summary of Statistical Thermodynamics Calculations [PDF]

Journal of Chemical Education, 2006
In this document students can explore the full set of statistical thermodynamic calculations leading to the prediction of the heat capacity at constant volume from the translational, rotational, vibrational, and electronic partition functions. The document is heavily annotated to permit independent study or review of the concepts. Some questions in the
openaire   +1 more source