Results 51 to 60 of about 52,686 (280)
Crystals, 2019 The effects of refractory metals on physical and thermodynamic properties of X3Ir (X = Ti, V, Cr, Nb and Mo) compounds were investigated using local density approximation (LDA) and generalized gradient approximation (GGA) methods within the first ...
Dong Chen +4 more
doaj +1 more source
, 2013 Density-functional theory based global geometry optimization is used to scrutinize the possibility of using endohedrally-doped hydrogenated Si clusters as building blocks for constructing highly magnetic materials. In contrast to the known clathrate-type
Palagin, Dennis, Reuter, Karsten
core +1 more source
Bio‐Inspired Molecular Events in Poly(Ionic Liquids)
Advanced Functional Materials, EarlyView.Originating from dipolar and polar inter‐ and intra‐chain interactions of the building blocks, the topologies and morphologies of poly(ionic liquids) (PIL) govern their nano‐ and micro‐processibility. Modulating the interactions of cation‐anion pairs with aliphatic dipolar components enables the tunability of properties, facilitated by “bottom‐up ...
Jiahui Liu, Marek W. Urban
wiley +1 more source
LOTUS: A (Non-) LTE Optimization Tool for Uniform Derivation of Stellar Atmospheric Parameters
The Astronomical Journal, 2023 Precise fundamental atmospheric stellar parameters and abundance determination of individual elements in stars are important for all stellar population studies.
Yangyang Li, Rana Ezzeddine
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Dual‐Ligand Metal‐Organic Frameworks via In Situ Amidoxime Engineering for Selective Ion Separation
Advanced Functional Materials, EarlyView.Inspired by microbial ion‐trapping mechanisms, a mild and universal strategy is developed to construct highly porous amidoxime‐functionalized MOFs. DFT calculations and molecular force measurements reveal that the dual‐ligand amidoxime configuration significantly strengthens Ga(III) affinity.
Zhifang Lv +9 more
wiley +1 more source
Quantifying memory capacity as a quantum thermodynamic resource
, 2019 The information-carrying capacity of a memory is known to be a thermodynamic resource facilitating the conversion of heat to work. Szilard's engine explicates this connection through a toy example involving an energy-degenerate two-state memory.
Gour, Gilad +4 more
core +1 more source
Optimization of thermodynamic efficiency in binary-type geothermal electric power generating plants [PDF]
, 1975 Calculations and curves are presented which prove that for each turbine entry temperature, there is an entry pressure which will optimize the thermodynamic efficiency of a ''binary'' type geothermal power plant. Comparisons are made between thermodynamic efficiency and another method of rating process efficiency.
openaire +2 more sources
Energy Procedia, 2017 Abstract A thermodynamic optimization analysis of single effect LiBr-H 2 O vapour absorption cooling system of 1 TR capacity is conducted based on first and second laws. Mathematical models derived from thermodynamics theory, are employed in engineering equation solver to perform the calculations. Minimum generator temperature required to operate the
Pandya, Bhargav +2 more
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Energy Conversion and Management, 2022 Abstract The development of combined heat and power (CHP) systems based on the supercritical carbon dioxide (SCO2) Brayton cycle is important to enhance the energy utilization efficiency and satisfy different energy demands. Therefore, this study summarizes and compares the SCO2 CHP configurations in terms of back-pressure heating (system without pre-
Ruiqiang Sun +4 more
openaire +1 more source
Artificial Intelligence as the Next Visionary in Liquid Crystal Research
Advanced Functional Materials, EarlyView.The functions of AI in the research laboratory are becoming increasingly sophisticated, allowing the entire process of hypothesis formulation, material design, synthesis, experimental design, and reiterative testing to be automated. In our work, we conceive how the incorporation of AI in the laboratory environment will transform the role and ...
Mert O. Astam +2 more
wiley +1 more source