Results 41 to 50 of about 21,938,013 (329)

First-Principles Study on Graphene/Mg₂Si Interface of Selective Laser Melting Graphene/Aluminum Matrix Composites

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, Shijie Chang, Jie Wang, Peikang Bai, Wenbo Du, Wenjie Zhao   +5 more
doaj   +1 more source

Shedding light on moiré excitons: A first-principles perspective [PDF]

Science Advances, 2020
First-principles simulations are performed to shed light on moiré excitons in twisted MoS2/WS2 heterostructures. Moiré superlattices in van der Waals (vdW) heterostructures could trap long-lived interlayer excitons.
Hongli Guo, Xu Zhang, G. Lu
semanticscholar   +1 more source

Agentic Finance: An Adaptive Inference Framework for Bounded-Rational Investing Agents

Entropy
We 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, John H. Clippinger, Matthew Moroney   +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

Semiclassical Universe from First Principles

, 2004
Causal Dynamical Triangulations in four dimensions provide a background-independent definition of the sum over space-time geometries in nonperturbative quantum gravity.
Ambjørn, Ambjørn, Ambjørn, Ambjørn, Ambjørn, Ambjørn, Ambjørn, Antoniadis, Dasgupta, Gibbons, Halliwell, Halliwell, Hartle, J. Ambjørn, J. Jurkiewicz, Linde, Newman, R. Loll, Rubakov, Teitelboim, Teitelboim, Vilenkin, Vilenkin, Vilenkin, Vilenkin, Weinberg   +25 more
core   +2 more sources

Cumulene Molecular Wire Conductance from First Principles [PDF]

, 2010
We present first principles calculations of current-voltage characteristics (IVC) and conductance of Au(111):S2-cumulene-S2:Au(111) molecular wire junctions with realistic contacts.
A. Grigoriev, F. Innocenti, G. Wendin, J. Prasongkit, Rajeev Ahuja, S. Datta   +5 more
core   +2 more sources

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, Bingqian Wang, Panyu Zhang, Xiaoli Jiang, Xinxin Zhao, Lili Wang, Zhixiang Yin, Jianbao Wu   +7 more
doaj   +1 more source

The first principles calculation of transport coefficients [PDF]

, 1998
We demonstrate the practical feasibility of calculating transport coefficients such as the viscosity of liquids completely from first principles using the Green-Kubo relations.
Alfe`, Dario, Gillan, Michael J.
core   +2 more sources

Discrepancy between experimental and theoretical β-decay rates resolved from first principles [PDF]

Nature Physics, 2019
The dominant decay mode of atomic nuclei is beta decay (β-decay), a process that changes a neutron into a proton (and vice versa). This decay offers a window to physics beyond the standard model, and is at the heart of microphysical processes in stellar ...
P. Gysbers, G. Hagen, J. Holt, G. Jansen, T. Morris, P. Navrátil, Thomas Papenbrock, S. Quaglioni, A. Schwenk, Steven Ragnar Stroberg, K. Wendt   +10 more
semanticscholar   +1 more source

First-principles calculations on dislocations in MgO

Science and Technology of Advanced Materials
While ceramic materials are widely used in our society, their understanding of the plasticity is not fully understood. MgO is one of the prototypical ceramics, extensively investigated experimentally and theoretically. However, there is still controversy
Shin Kiyohara, Tomohito Tsuru, Yu Kumagai   +2 more
doaj   +1 more source