Results 51 to 60 of about 35,918 (305)
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 +2 more
wiley +1 more source
ComputationFlash calculations are essential in reservoir engineering applications, most notably in compositional flow simulation and separation processes, to provide phase distribution factors, known as k-values, at a given pressure and temperature. The calculation
Eirini Maria Kanakaki +2 more
doaj +1 more source
Computational Study of Growth, Thermodynamics, and Electronic Properties of Nanomaterials
, 2023 Nanomaterials have gained tremendous research interest over the years due to their unique physical and chemical properties. Computational methods, such as Density Functional Theory (DFT) calculations, are excitingly helpful with the study of ...
Ruan, Qiyuan
core
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 +4 more
wiley +1 more source
DIAGNOSTICS OF DENDRITE STRUCTURE OF MULTICOMPONENT ALUMINUM ALLOYS
Литьë и металлургия, 2018 Stages of system analysis and mathematical models for predicting the dendritic structure of multicomponent aluminum alloys are considered. Computer diagnostics of nonequilibrium crystallization is realized by the joint use of the apparatus of ...
V. M. Golod, L. Yu. Dobosh
doaj +1 more source
Materials Research Express, 2023 In this study, an NbC-Fe composite layer is in situ prepared on the surface of GCr15 bearing steel. The formation mechanism of the composite layer was investigated in terms of thermodynamics, dynamics, and crystal structure transformation processes ...
Nana Zhao +8 more
doaj +1 more source
, 2018 Configurational thermodynamics of C in body-centered cubic (bcc) or tetragonal (bct) Fe is investigated combining several computational techniques. Pairwise CAC interaction energies in bcc Fe are calculated by density functional theory (DFT) and embedded
Yan, Jiayi, +3 more
core +1 more source
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 +3 more
wiley +1 more source
Information Theory and Computational Thermodynamics: Lessons for Biology from Physics
, 2012 We survey a few aspects of the thermodynamics of computation, connecting information, thermodynamics, computability and physics. We suggest some lines of research into how information theory and computational thermodynamics can help us arrive at a better
Hector Zenil
core +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 +5 more
wiley +1 more source