Results 51 to 60 of about 128,282 (261)

First-principles study on structural, mechanical, electrical, optical and thermal properties of lithium- and calcium-based catalysts

open access: yesMaterials Research Express
This work presents a systematic first-principles study of the crystal structure, mechanical, electrical, optical, and thermodynamic properties of lithium- and calcium-based catalysts (Li _3 N, Ca _3 N _2 , Li _3 BN _2 , and Ca _3 B _2 N _4 ) for the ...
Meizhe Lv, Xiaofei Guo, Lichao Cai
doaj   +1 more source

Rafting of Ni‐Based Superalloys Under Multiaxial Load as Understood by Phase‐Field Simulations and Critical Experiments

open access: yesAdvanced Engineering Materials, EarlyView.
Phase‐field simulations coupled with dislocation‐density‐based crystal plasticity modeling reproduce γ′ rafting behavior in single‐crystal Ni‐based superalloys under varied loading conditions. The model captures both macroscopic creep and microscopic morphology evolution, with results matching high‐temperature creep experiments.
Micheal Younan   +5 more
wiley   +1 more source

Karl Popper and the Mechanisms of Hydrogen Embrittlement

open access: yesAdvanced Engineering Materials, EarlyView.
Representation of the beginning of loss of ductility rather than embrittlement. Small concentrations of hydrogen in a diffusible form within iron are well‐established to harm the mechanical integrity of steels. There are theories that attempt to explain the pernicious role of hydrogen.
H. K. D. H. Bhadeshia
wiley   +1 more source

AN INTERIM THERMODYNAMIC PROPERTY FORMULATION FOR SUPERCRITICAL n-HEXANE

open access: yesScientific Study & Research: Chemistry & Chemical Engineering, Biotechnology, Food Industry, 2010
Accurate information on the thermodynamic properties of supercritical fluids is highly sought for the chemical technology, especially, supercritical extraction technology.
Azzedine Abbaci   +3 more
doaj  

BACKONE equation of state for Cis-1, 3, 3, 3-tetrafluoropropene (R1234ze(Z))

open access: yesVietnam Journal of Mechanics, 2018
This paper presents the study on the determination of the thermodynamic properties of Cis-1,3,3,3-tetrafluoropropene (R1234ze(Z)) with the BACKONE equation of state.
Phan Thi Thu Huong, Lai Ngoc Anh
doaj   +1 more source

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

open access: yesAdvanced 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   +2 more
wiley   +1 more source

DISTRIBUTION OF PARASTATISTICS FUNCTIONS: AN OVERVIEW OF THERMODYNAMICS PROPERTIES

open access: yesJurnal Sains Dasar, 2016
This study aims to determine the thermodynamic properties of the parastatistics system of order two. The thermodynamic properties to be searched include the Grand Canonical Partition Function (GCPF) Z, and the average number of particles N.
R. Yosi Aprian Sari, W. S. B. Dwandaru
doaj  

First-principles study of the structural, phonon, elastic, and thermodynamic properties of Al_3Ta compound under high pressure

open access: yesCondensed Matter Physics, 2018
We have investigated the phonon, elastic and thermodynamic properties of L1_2 phase Al_3Ta by density functional theory approach combining with quasi-harmonic approximation model.
W. Leini, T. Zhang, Z. Wu, N. Wei
doaj   +1 more source

Dynamics and Thermodynamics of Nanoclusters

open access: yesEntropy, 2015
The dynamic and thermodynamic properties of nanoclusters are studied in two different environments: the canonical and microcanonical ensembles. A comparison is made to thermodynamic properties of the bulk.
Karo Michaelian, Ivan Santamaría-Holek
doaj   +1 more source

The PRIMA Thesaurus for Materials Science and Engineering

open access: yesAdvanced Engineering Materials, EarlyView.
The PRIMA Thesaurus is a structured vocabulary designed to improve how materials science data is described and shared. Developed with input from multiple experts, it enables clear documentation of research workflows, data exchange, and reuse across platforms.
Rossella Aversa   +8 more
wiley   +1 more source

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