Computational and experimental investigation of refractory high entropy alloy Mo15Nb20Re15Ta30W20
Journal of Materials Research and Technology, 2020 In this study, refractory high entropy alloys (RHEAs) Mo20Nb20Re20Ta20W20, Mo15Nb20Re15Ta30W20, and Mo15Nb20Re10Ta35W20 were studied by applying the first-principles density functional theory (DFT) method.
Uttam Bhandari +4 more
doaj +1 more source
Thermodynamic modeling of the Hf-N system [PDF]
Journal of Mining and Metallurgy. Section B: Metallurgy, 2018 Hf-N based alloys have been widely used and studied in the fields of electronic devices and cutting tools industry. A thermodynamic description of this system is essential for further materials development.
Pang M., Peng Y., Zhou P., Du Y.
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Investigation of Cubic EOS Models for HFO-1234yf Refrigerant Used In Automotive application [PDF]
, 2012 The need for a consistent and reliable calculation of thermodynamic property of refrigerants has been a topic of research since the past decade. This paper reports a study of various cubic equations of state (EOS) for a refrigerant to be used in ...
Cornelio, Avi Anthony +2 more
core +1 more source
Fast Refrigerant Property Calculations Using Interpolation-Based Methods [PDF]
, 2012 An interpolation-based method for computing refrigerant properties which can be used in simulations of vaporcompression air-conditioning equipment is presented.
Laughman, Christopher +2 more
core +1 more source
Research Progress on Supercritical CO2-Based Mixture Brayton Cycle
发电技术ObjectivesThe supercritical CO2 Brayton cycle has the advantages of high efficiency, compact structure, enormous power generation potential, and strong scalability.
WANG Tiankun +5 more
doaj +1 more source
Study on the Structure and Physicochemical Properties of Yanshan Taro Starch
Liang you shipin ke-jiRed bud taro, a local iconic agricultural product in Yanshan County, Jiangxi Province, was used as raw material in this work, and taro starch was extracted by alkaline extraction method.
CHEN Zhao-min +5 more
doaj +1 more source
Emerging experimental and computational methods for studying redox‐regulated structural transitions
FEBS Letters, EarlyView.Redox reactions can reshape proteins and alter how they behave in cells, with important consequences for health and disease. This review explores emerging experimental and computational approaches for discovering these redox‐sensitive protein switches, revealing their structural effects, and predicting their behavior, opening new opportunities to ...
Tasneem Rass +2 more
wiley +1 more source
Artificial molecular machines and motors—Design and control of nanoscale motion
FEBS Letters, EarlyView.Molecules are constantly moving because of thermal fluctuations, but random motion alone cannot be exploited to perform directional tasks. Artificial molecular machines use chemical, electrical, or light energy to bias this motion. Molecular shuttles, rotary motors, and supramolecular pumps illustrate how nanoscale movement can be controlled and ...
Leonardo Andreoni, Alberto Credi
wiley +1 more source
Hybrid, Interpretable Machine Learning for Thermodynamic Property Estimation using Grammar2vec for Molecular Representation [PDF]
, 2022 Property prediction models have been developed for several decades with varying degrees of performance and complexity, from the group contribution-based methods to molecular simulations-based methods.
Rafiqul, Gani +3 more
core +1 more source
Mechanical, thermal and electronic properties of CoxBy alloys: a first-principles study
Cailiao gongchengCoxBy alloy with high hardness and high melting point has wide range of applications in many fields because of its stable chemical property, high strength, and good thermal stability.
JIN Ge +6 more
doaj +1 more source