Results 261 to 270 of about 17,749,413 (318)

FIRST PRINCIPLES:

First Things, 2020
We present a first-principles description of anisotropic materials characterized by having both weak (dispersion-like) and strong covalent bonds, based on the Adiabatic–Connection Fluctuation– Dissipation Theorem within Density Functional Theory.

semanticscholar   +1 more source

Toward first principles-based simulations of dense hydrogen

Physics of Plasmas
Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g., planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) and laboratory experiments, including inertial confinement fusion.
M. Bonitz, J. Vorberger, Mandy Bethkenhagen, Maximilian P. Bohme, D. Ceperley, A. Filinov, T. Gawne, Frank R Graziani, G. Gregori, P. Hamann, Stephanie B. Hansen, Markus Holzmann, S. Hu, H. Kahlert, V. Karasiev, U. Kleinschmidt, Linda Kordts, C. Makait, B. Militzer, Z. Moldabekov, C. Pierleoni, M. Preising, Kushal Ramakrishna, R. Redmer, S. Schwalbe, Pontus Svensson, T. Dornheim   +26 more
semanticscholar   +1 more source

First-Principles Design and Simulations Promote the Development of Nonlinear Optical Crystals.

Accounts of Chemical Research, 2020
A hot topic in materials science is to search for nonlinear optical (NLO) crystals, which are indispensable in current laser technology, future optical information, and precision measurements.
Lei Kang, F. Liang, Xingxing Jiang, Zheshuai Lin, Chuangtian Chen   +4 more
semanticscholar   +1 more source

First principles

Scientific Lubrication, 1951
PREVIOUS articles in this series have dealt with the uses, properties, and grades of greases. The laboratory testing of greases will now be covered. Testing of greases has not advanced to the same degree as oil testing, chiefly because of the variations in ingredients employed which make it difficult to standardize tests that will give repeatable ...
openaire   +2 more sources

First-principles calculations for topological quantum materials

Nature Reviews Physics, 2020
Discoveries of topological states and topological materials have reshaped our understanding of physics and materials over the past 15 years. First-principles calculations have had an important role in bridging the theory of topology and experiments by ...
Jiewen Xiao, Binghai Yan
semanticscholar   +1 more source

First principles.

The Pharos of Alpha Omega Alpha-Honor Medical Society. Alpha Omega Alpha, 2016
Abstract This chapter provides an overview of basic nursing practice as it relates to emergency nursing, including: teamwork, health promotion, injury prevention, infection prevention, dealing with patients with learning disabilities, models of unscheduled care, delivery, triage, documentation, the handover of care, history taking ...
openaire   +3 more sources

First-principles insight into Ni-doped InN monolayer as a noxious gases scavenger

Applications of Surface Science, 2019
Using first-principles theory, we theoretically investigate the most stable doping site of Ni atom on pristine InN monolayer and adsorption behavior of Ni-doped InN (Ni-InN) monolayer upon four noxious gases (NO, CO2, H2S and NH3).
H. Cui, Xiaoxing Zhang, Yi Li, Dachang Chen, Ying Zhang   +4 more
semanticscholar   +1 more source

First principle

Scientific Lubrication, 1949
A series of articles explaining in simple language the fundamentals of ...
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First-principles investigation of oxidation behavior of Mo5SiB2

, 2020
The high-temperature application of transition metal silicide ceramics is dramatically influenced by the “pesting” oxidation. However, the oxidation mechanism of Mo5SiB2 silicide is unknown due to the introduction of Boron (B).
Yong Pan, D. Pu
semanticscholar   +1 more source

First principles

Scientific Lubrication, 1949
PART One of this series explained the meaning and measurement of viscosity. When any machine builder wishes to recommend a suitable oil for lubrication of any of his products, ho always stipulates the required viscosity. An oil specification will include many necessary properties, but every one will include viscosity limits.
openaire   +2 more sources