Results 31 to 40 of about 1,274,639 (308)
Crystals, 2022 Calculations of first principles were employed to explore the elastic constants of the β-Mg17Al12 intermetallic complex under pressure, along with several related physical parameters, including the bulk modulus, the shear modulus, Young’s modulus ...
Chuncai Xiao +5 more
doaj +1 more source
Order-N first-principles calculations with the CONQUEST code [PDF]
, 2007 We summarize the principles underlying the conquest code for first-principles modeling of systems containing many thousands of atoms. Very recent technical developments implemented in the code are outlined.
Bowler, David +3 more
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First Principles, Fallibilism, and Economics [PDF]
SSRN Electronic Journal, 2017 In the eyes of its practitioners, economics is both a deductive science and an empirical science. The starting point of its deductions might be thought of as first principles. But what is the status of such principles? The tension between foundationalism, the idea that there are necessary and secure first principles for economic inquiry, and ...
openaire +2 more sources
First-Principles View on Photoelectrochemistry: Water-Splitting as Case Study
Inorganics, 2017 Photoelectrochemistry is truly an interdisciplinary field; a natural nexus between chemistry and physics. In short, photoelectrochemistry can be divided into three sub-processes, namely (i) the creation of electron-hole pairs by light absorption; (ii ...
Anders Hellman, Baochang Wang
doaj +1 more source
Metals, 2021 The bonding strength of a Gr/Mg2Si interface was calculated by first principles. Graphene can form a stable, completely coherent interface with Mg2Si. When the (0001) Gr/(001) Mg2Si crystal plane is combined, the mismatch degree is 5.394%, which conforms
Zhanyong Zhao +5 more
doaj +1 more source
Agentic Finance: An Adaptive Inference Framework for Bounded-Rational Investing Agents
EntropyWe propose Adaptive Inference, a portfolio management framework extending Active Inference to non-stationary financial environments. The framework integrates inference, control, and execution under endogenous uncertainty, modeling investment decisions as
Samuel Montañez Jacquez +2 more
doaj +1 more source
The First Principles of Standing
Columbia Journal of Race and Law, 2018 This Article examines the indeterminacy of standing doctrine by deconstructing recent desegregation, affirmative action, and racial profiling cases.
Christian B. Sundquist
doaj +1 more source
First-Principles-Based Optimized Design of Fluoride Electrolytes for Sodium-Ion Batteries
Molecules, 2022 Because of the abundance and low cost of sodium, sodium-ion batteries (SIBs) are next-generation energy storage mediums. Furthermore, SIBs have become an alternative option for large-scale energy storage systems.
Shuhan Lu +7 more
doaj +1 more source
Graphene at Liquid Copper Catalysts: Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height [PDF]
, 2022 Liquid metal catalysts have recently attracted attention for synthesizing high-quality two-dimensional (2D) materials facilitated via the catalysts’ perfectly smooth surface. However, the microscopic catalytic processes occurring at the surface are still
Hendrik , Heenen +11 more
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First-principles studies on organic electronic materials [PDF]
, 2009 The elucidation of physical properties of organic materials is important for further optimization of related electronic and optoelectronic devices. Here we review briefly various first-principles computational tools for the modeling of these materials ...
Pantelides, S.T. +5 more
core +1 more source