Results 31 to 40 of about 17,749,413 (318)
A first-principles understanding of point defects and impurities in GaN
, 2021 Attaining control over the electrical conductivity of gallium nitride through impurity doping is one of the foremost achievements in semiconductor science.
J. L. Lyons +2 more
semanticscholar +1 more source
First-principles design of a single-atom–alloy propane dehydrogenation catalyst
Science, 2021 Rhodium atoms for alkane dehydrogenation Nanoparticles of rhodium dispersed on metal oxides are generally poor catalysts for alkane dehydrogenation because the reactants bind too strongly to the metal. Hannagan et al.
Ryan T. Hannagan +11 more
semanticscholar +1 more source
Lattice thermal conductivity of β-, α- and κ- Ga2O3: a first-principles computational study
Applied Physics Express, 2023 The thermal transport properties of Ga _2 O _3 in different phases remain inadequately explored. We employ first-principles calculations and the phonon Boltzmann equation to systematically study the lattice thermal conductivity of β -, α - and κ -Ga _2 O
Jinfeng Yang +5 more
doaj +1 more source
Quantum Field Theory from First Principles [PDF]
, 2000 When quantum fields are studied on manifolds with boundary, the corresponding one-loop quantum theory for bosonic gauge fields with linear covariant gauges needs the assignment of suitable boundary conditions for elliptic differential operators of ...
Esposito, Giampiero
core +3 more sources
The abTEM code: transmission electron microscopy from first principles
Open Research Europe, 2021 Simulation of transmission electron microscopy (TEM) images or diffraction patterns is often required to interpret experimental data. Since nuclear cores dominate electron scattering, the scattering potential is typically described using the independent ...
Jacob Madsen, T. Susi
semanticscholar +1 more source
Automating first-principles phase diagram calculations [PDF]
, 2002 Devising a computational tool that assesses the thermodynamic stability of materials is among the most important steps required to build a “virtual laboratory,” where materials could be designed from first principles without relying on experimental input.
Ceder, G., van de Walle, A.
core +1 more source
First-principles study, fabrication and characterization of (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramics [PDF]
Acta Materialia, 2019 The formation possibility of a new (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramics (ZHC-1) was first analyzed by the first-principles calculations and thermodynamical analysis and then it was successfully fabricated by hot pressing sintering technique ...
Beilin Ye +5 more
semanticscholar +1 more source
Spin and Statistics and First Principles [PDF]
, 2009 It was shown in the early Seventies that, in Local Quantum Theory (that is the most general formulation of Quantum Field Theory, if we leave out only the unknown scenario of Quantum Gravity) the notion of Statistics can be grounded solely on the local ...
AL Moncayo +24 more
core +3 more sources
First-Principles Approach to Electrorotation Assay [PDF]
, 2001 We have presented a theoretical study of electrorotation assay based on the spectral representation theory. We consider unshelled and shelled spheroidal particles as an extension to spherical ones.
Asami K +12 more
core +4 more sources
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