Results 131 to 140 of about 4,388,061 (261)

Between Laws and Models: Some Philosophical Morals of Lagrangian Mechanics [PDF]

, 2004
I extract some philosophical morals from some aspects of Lagrangian mechanics. (A companion paper will present similar morals from Hamiltonian mechanics and Hamilton-Jacobi theory.) One main moral concerns methodology: Lagrangian mechanics provides a ...
Butterfield, Jeremy
core  

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

Potential energy landscape formalism for quantum molecular liquids

Communications Chemistry
The potential energy landscape (PEL) formalism is a powerful tool within statistical mechanics to study the thermodynamic properties of classical low-temperature liquids and glasses.
Ali Eltareb, Yang Zhou, Gustavo E. Lopez, Nicolas Giovambattista   +3 more
doaj   +1 more source

Field Report from Collaborative Research Center 1625: Heterogeneous Research Data Management Using Ontology Representations

Advanced Engineering Materials, EarlyView.
A unified research data management framework for heterogeneous materials data is presented. The system integrates multimodal datasets using ontologies and knowledge graphs, enabling interoperability and FAIR (findable, accessible, interoperable, reusable) data principles. By linking data across scales and workflows, it supports reproducible, Artifitial
Doaa Mohamed, Samuel García Vázquez, Behnam Mardani, Victor Dudarev, Alfred Ludwig, Maribel Acosta, Markus Stricker   +6 more
wiley   +1 more source

A topographic exploration of the von Neumann entropy surface for a spin-1 (three-level) nuclear paramagnet

AIP Advances
Paramagnetic spin systems are typically analyzed using classical statistical mechanics, and the discussion is usually limited to the simplest, two-level, isolated spin-1/2 system.
David J. Siminovitch
doaj   +1 more source

Entropy Considerations in Stochastic Electrodynamics

Physics
The use of entropy concepts in the field of stochastic electrodynamics is briefly reviewed here. Entropy calculations that have been fully carried out to date are discussed in two main cases: first, where electric dipole oscillators interact with zero ...
Daniel C. Cole
doaj   +1 more source

Is an Apple an Orange? A Large Language Model Benchmark for Candidate Term Extraction and Subclass Decisions Against Upper Ontologies in Engineering and Materials Science

Advanced Engineering Materials, EarlyView.
Building machine‐readable vocabularies for materials science is slow, expert‐driven work. This study benchmarks 13 large language models on two of its first steps: finding candidate terms in engineering articles and deciding where they belong in a class hierarchy.
Thomas Bjarsch, Maximilian Holland, Klaus Drechsler, Johannes Schilp   +3 more
wiley   +1 more source

Symbolic Regression and Multi‐Objective Optimization of the Flory–Huggins Interaction Parameter for Hydrogels

Advanced Engineering Materials, EarlyView.
We develop a data‐driven method to derive the mathematical expressions of the Flory–Huggins interaction parameter χ for the swelling behavior of temperature–responsive hydrogels. Starting from initial assumptions of χ, our workflow combines Bayesian optimization, Flory–Rehner theory, and symbolic regression to generate candidate χ expressions.
Yawen Wang, Adrian Ehrenhofer, Thomas Wallmersperger   +2 more
wiley   +1 more source

Is There a Unique Physical Entropy? Micro versus Macro [PDF]

, 2012
Entropy in thermodynamics is an extensive quantity, whereas standard methods in statistical mechanics give rise to a non-extensive expression for the entropy. This discrepancy is often seen as a sign that basic formulas of statistical mechanics should be
Dieks, D.G.B.J., History and Foundations of Science, Dieks, Dennis, Sub Foundations&PhilosophyofNaturSc begr, Andersen, Hanne   +4 more
core   +1 more source

Microstructure Reconstruction in Battery Electrodes Using Machine Learning Based on Low‐Voltage Focused Ion Beam–Scanning Electron Microscopy Tomography Images

Advanced Engineering Materials, EarlyView.
Low‐voltage FIB‐SEM tomography combined with a image preprocessing pipeline improves phase contrast and enables reliable machine‐learning segmentation of conductive networks in lithium‐ion battery electrodes. Structural descriptors are extracted from segmented images, done semimanually and automated, and compared.
Lisa Beran, Vincent Nebel, Dominik Perius, Kshitij Kumar, Yannis Heim, Laura Bies, Tobias Kraus   +6 more
wiley   +1 more source