Results 31 to 40 of about 177,601 (269)

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

open access: yesFEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young   +7 more
wiley   +1 more source

Revisiting Stability Criteria in Ball‐Milled High‐Entropy Alloys: Do Hume–Rothery and Thermodynamic Rules Equally Apply?

open access: yesAdvanced Engineering Materials, Volume 27, Issue 6, March 2025.
The stability criteria affecting the formation of high‐entropy alloys, particularly focusing in supersaturated solid solutions produced by mechanical alloying, are analyzed. Criteria based on Hume–Rothery rules are distinguished from those derived from thermodynamic relations. The formers are generally applicable to mechanically alloyed samples.
Javier S. Blázquez   +5 more
wiley   +1 more source

Interatomic Interactions in F.C.C.-Ni–Fe Alloys

open access: yesУспехи физики металлов, 2010
Within the scope of the self-consistent-field (SCF) and mean-SCF (MSCF) approximations, static-concentration-waves and Matsubara–Kanzaki–Krivoglaz lattice statics methods, on the basis of state-of-the-art diffraction data concerning coherent and diffuse ...
S. M. Bokoch, V. A. Tatarenko
doaj   +1 more source

What Do Large Language Models Know About Materials?

open access: yesAdvanced 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

Statistical Mechanics of Linear k-mer Lattice Gases: From Theory to Applications

open access: yesEntropy
The statistical mechanics of structured particles with arbitrary size and shape adsorbed onto discrete lattices presents a longstanding theoretical challenge, mainly due to complex spatial correlations and entropic effects that emerge at finite densities.
Julian Jose Riccardo   +3 more
doaj   +1 more source

Fluctuations of Intensive Quantities in Statistical Thermodynamics

open access: yesEntropy, 2013
In phenomenological thermodynamics, the canonical coordinates of a physical system split in pairs, with each pair consisting of an extensive quantity and an intensive one.
Artur E. Ruuge
doaj   +1 more source

Influence of an Argon/Silane Atmosphere on the Temperature of a Thermal Plasma

open access: yesAdvanced Engineering Materials, EarlyView.
The influence of a silane‐doped argon atmosphere on the chemical composition and temperature of a thermal nontransferring argon plasma is investigated using optical emission spectroscopy. As a result of the high amount of free electrons resulting from the stepwise ionization and dissociation of the silane molecule, even a silane addition of 0.01 vol ...
Lena Kreie   +4 more
wiley   +1 more source

The Phase Space Elementary Cell in Classical and Generalized Statistics

open access: yesEntropy, 2013
In the past, the phase-space elementary cell of a non-quantized system was set equal to the third power of the Planck constant; in fact, it is not a necessary assumption. We discuss how the phase space volume, the number of states and the elementary-cell
Piero Quarati, Marcello Lissia
doaj   +1 more source

Hydrogen-, Helium-, and Lithium-like Bound States in Classical and Quantum Plasmas

open access: yesPlasma, 2022
We study the effective interactions and the mass action constants for pair and triple associations in classical and quantum plasmas. Avoiding double counting, we derive new expressions for the mass action constants.
Werner Ebeling, Gerd Röpke
doaj   +1 more source

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