Results 111 to 120 of about 2,777,569 (296)

Exploration of Structural, Thermodynamic, Magnetic, Mechanical, and Dynamical Properties of Martensite Fe3Pt Alloys: A Density Functional Theory Study

open access: yesApplied Sciences
The current study explored the martensite structures of Fe3Pt alloys, specifically Cmmm-Fe3Pt, P63/mmc-Fe3Pt, P4/mmm-Fe3Pt, and R3¯m-Fe3Pt, aiming to provide a comprehensive understanding of the mechanisms that govern their physical and chemical ...
Ndanduleni L. Lethole, Emeka H. Onah
doaj   +1 more source

Ionic Precursors Transformed Into Vinyl Acetate Synthesis Catalyst via Reaction‐Driven Restructuring

open access: yesAdvanced Functional Materials, EarlyView.
This work demonstrates that a simple physical mixture of Pd and Au ionic precursors, KOAc promoter, and SiO2 support can transform into a highly active vinyl acetate synthesis catalyst through reaction‐driven restructuring. The results highlight reaction‐induced restructuring as an innovative and sustainable catalyst design strategy.
Byeong Jun Cha   +11 more
wiley   +1 more source

Wide-Bandgap A2TiSiO6 (A = Ca, Sr, Ba) Double Perovskites for Optoelectronic Applications

open access: yesInorganics
The structural, mechanical, electronic, and optical properties of cubic double perovskite oxides A2TiSiO6 (A = Ca, Sr, Ba) were systematically investigated using first-principles density functional theory calculations.
Łukasz Szeleszczuk   +2 more
doaj   +1 more source

Strong Lead‐Free Bioinspired Piezoceramics for Durable Energy Transducers

open access: yesAdvanced Functional Materials, EarlyView.
We fabricated brick‐and‐mortar lead‐free piezoceramics with Bi0.5Na0.5TiO3 monocrystal platelets as bricks and amorphous silica as mortar. The alignment of the bricks and the presence of the amorphous silica led to anisotropic residual stresses. These residual stresses increase the samples toughness, strength and durability while the brick alignment ...
Ruxue Yang   +12 more
wiley   +1 more source

Chitin‐Derived Carbon‐Metal Functional Materials

open access: yesAdvanced Functional Materials, EarlyView.
Functional carbon materials are synthesized from combination of biopolymer (chitin) and iron precursors. The resultant material exhibits superior surface area and adsorptive properties compared to carbon materials synthesized directly from pure chitin.
Herry Fang   +7 more
wiley   +1 more source

Mechanisms and Characteristics of Thermodynamically Quasistable Structure Formation in Metals

open access: yesEnvironmental and Climate Technologies
This paper investigates the processes of thermodynamic pseudostability (metastability) in liquid metals during rapid solidification, a mechanism that results in the formation of an amorphous structure. Established technologies for creating bulk amorphous
Pavlenko Anatoliy, Basok Borys
doaj   +1 more source

Advancing SafeWax, A Bio‐Inspired Superhydrophobic Coating, Toward Sustainable and Climate‐Resilient Crop Protection

open access: yesAdvanced Functional Materials, EarlyView.
This study advances SafeWax, a bio‐inspired, fatty‐acids‐based superhydrophobic coating, by identifying an agriculturally compliant solvent and revealing how solvent‐controlled Fatty acid crystallization governs the coating's microscopic structure and performance.
Niv Ben‐Arie   +13 more
wiley   +1 more source

The thermodynamic stability of etringite

open access: yes
The theoretical part of this doctoral thesis summarizes the current knowledge of portland cement and its manufacturing technology, information of FBC ash, Aft phases, AFm phases and the current knowledge of thermodynamic stability of ettringite.
Magrla, Radek
core   +1 more source

Physics‐Grounded Materials Artificial Intelligence for Reliable Materials Discovery

open access: yesAdvanced Functional Materials, EarlyView.
Physics‐Grounded Materials AI (PhysMat AI) integrates physical priors, descriptors, constraints, verification, and data infrastructure into a unified full‐stack framework, enabling reliable, interpretable, and autonomous AI‐driven materials discovery.
Yuhang Wang   +3 more
wiley   +1 more source

Methods for qualifying the thermodynamic stability of safety valves and steam dump devices of nuclear power plants

open access: yesTrudy Odesskogo Politehničeskogo Universiteta
Analysis of known developments in reliability analysis of safety valves and steam dump devices of reactors and steam generators of nuclear power plants with VVER has recognized the need for calculation qualification of safety valves and steam dump ...
Володимир Іванович Скалозубов   +4 more
doaj  

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