Results 11 to 20 of about 92,554 (253)

Fluorine-substituted cyclobutenes in the solid state: Crystal structures, vibrational spectra and mechanical and thermodynamic properties

open access: yesJournal of Physics and Chemistry of Solids, 2022
23 pags., 15 figs., 16 tabs. The crystal structures, infrared and Raman spectra, and mechanical and thermodynamic properties of four important fluorine-substituted cyclobutene derivatives in the solid state are investigated using first-principles solid-state methods based on density functional theory. These compounds are hexafluorocyclobutene (HFCB, CF)
Francisco Colmenero, Bruno Lunelli
openaire   +2 more sources

First-principles demonstration of band filling-induced significant improvement in thermodynamic stability and mechanical properties of Sc$$_{1-x}$$Ta$$_{x}$$B$$_{2}$$ solid solutions

open access: yesScientific Reports, 2023
AbstractMixtures of different metal diborides in the form of solid solutions are promising materials for hard-coating applications. Herein, we study the mixing thermodynamics and the mechanical properties of AlB$$_{2}$$ 2 -structured Sc$$_{1-x}$$
Mopoung, Kunpot   +3 more
openaire   +4 more sources

Nobel prize winner Erwin Schrödinger: the physicist, philosopher, and godfather of molecular biology and genetics [PDF]

open access: yesThe Ukrainian Biochemical Journal, 2020
The brilliant book “What is Life? The Physical Aspect of the Living Cell” authored by the prominent Nobel Prize-winning Austrian physicist Erwin Schrödinger became a successful attempt to bridge the gap between physics and biology.
T. V. Danylova, S. V. Komisarenko
doaj   +1 more source

Experimental and Numerical Investigations of In Situ Alloying during Powder Bed Fusion of Metals Using a Laser Beam

open access: yesMetals, 2021
Powder Bed Fusion of Metals using a Laser Beam (PBF-LB/M) is increasingly utilized for the fabrication of complex parts in various industrial sectors. Enabling a robust and reproducible manufacturing process is one of the main goals in view of the future
Andreas Wimmer   +6 more
doaj   +1 more source

The Morphology of al Droplet in an Ultrasonic Oscillation Field: Kinetic and Equilibrium Thermodynamic Analysis

open access: yesMaterials Research, 2022
Wetting of metal droplet on the solid substrate is a fundamental phenomenon which is applicable to the surface chemistry. When an oscillation field is included in the wetting condition, the wetting process shows significant advancing and receding ...
Wendi Li   +4 more
doaj   +1 more source

Surface Properties of LaNi5 and TiFe—Future Opportunities of Theoretical Research in Hydrides

open access: yesFrontiers in Energy Research, 2021
Hydrogen in the solid state compounds is still considered as a safe method of energy storage. The ultimate metal hydrides or other materials that can be used for this purpose remain unknown.
Zbigniew Łodziana
doaj   +1 more source

Development of the Concept of Entropy: from Thermodynamics to Cosmology. Part 2. Hypothesis of Entropy in Cosmology and its Development

open access: yesМеханика машин, механизмов и материалов, 2021
In the work [7], the classical concepts of thermodynamic entropy are systematized and modern approaches to assessing the tribo-fatigue and mechanothermodynamic entropy of non-additive systems are outlined.
Leonid A. Sosnovskiy   +1 more
doaj   +1 more source

A quantitative study on the thermomechanical coupling effect of elasticity and plasticity of polymethyl methacrylate

open access: yesPolymer Testing, 2023
Quantitative study on the elastic and plastic thermomechanical coupling effect of solid materials has important theoretical significance for monitoring the deformation state and stability evaluation of engineering components. In this study, the sample is
Bingquan Liu   +6 more
doaj   +1 more source

Learning Corrections for Hyperelastic Models From Data

open access: yesFrontiers in Materials, 2019
Unveiling physical laws from data is seen as the ultimate sign of human intelligence. While there is a growing interest in this sense around the machine learning community, some recent works have attempted to simply substitute physical laws by data.
David González   +2 more
doaj   +1 more source

First-Principles Atomistic Thermodynamics and Configurational Entropy

open access: yesFrontiers in Chemistry, 2020
In most applications, functional materials operate at finite temperatures and are in contact with a reservoir of atoms or molecules (gas, liquid, or solid).
Christopher Sutton, Sergey V. Levchenko
doaj   +1 more source

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