Results 31 to 40 of about 254,236 (270)

Reaction energetics of Hydrogen on the Si(100) surface: A periodic many-electron theory study

, 2018
We report on a many-electron wavefunction theory study for the reaction energetics of hydrogen dissociation on the Si(100) surface. We demonstrate that quantum chemical wavefunction based methods using periodic boundary conditions can predict chemically ...
Groß, Axel, Grüneis, Andreas, Sakong, Sung, Tsatsoulis, Theodoros   +3 more
core   +1 more source

Stochastic Energetics of Quantum Transport [PDF]

, 2006
We examine the stochastic energetics of directed quantum transport due to rectification of non-equilibrium thermal fluctuations. We calculate the quantum efficiency of a ratchet device both in presence and absence of an external load to characterize two ...
A. Ajdari, A. Mielke, Deb Shankar Ray, E. H. Sepersu, H. S. Leff, J. Howard, M. O. Magnasco, N. G. van Kampen, P. J. Sturman, Pulak Kumar Ghosh, S. Yukawa, T. Geisel, T. Y. Tsong, W. H. Louisell   +13 more
core   +2 more sources

Energetics of the AK13 Semi-Local Kohn-Sham Exchange Energy Functional

, 2016
The recent non-empirical semi-local exchange functional of Armiento and K\"ummel, the AK13 [PRL 111, 036402 (2013)] incorporates a number of features reproduced by higher-order theory.
Armiento, R., Lindmaa, A.
core   +1 more source

A magnetically driven origin for the low luminosity GRB 170817A associated with GW170817

, 2018
The gamma-ray burst GRB 170817A associated with GW170817 is subluminous and subenergetic compared with other typical short GRBs. It may be due to a relativistic jet viewed off-axis, or a structured jet, or cocoon emission. Giant flares from magnetars may
Huang, L., Tong, H., Yu, C.
core   +1 more source

Breakdown of the static picture of defect energetics in halide perovskites: the case of the Br vacancy in CsPbBr3

, 2019
We consider the Br vacancy in CsPbBr3 as a prototype for the impact of structural dynamics on defect energetics in halide perovskites (HaPs). Using first-principles molecular dynamics based on density functional theory, we find that the static picture of
Cohen, Ayala V., Egger, David A., Kronik, Leeor, Rappe, Andrew M.   +3 more
core   +1 more source

Bridging the gap: Multi‐stakeholder perspectives of molecular diagnostics in oncology

Molecular Oncology, EarlyView.
Although molecular diagnostics is transforming cancer care, implementing novel technologies remains challenging. This study identifies unmet needs and technology requirements through a two‐step stakeholder involvement. Liquid biopsies for monitoring applications and predictive biomarker testing emerge as key unmet needs. Technology requirements vary by
Jorine Arnouts, Senada Koljenović, Elise Daems, Karolien De Wael, Marc Peeters, Léon C. van Kempen, Greetje Vanhoutte, Karen Zwaenepoel, Timon Vandamme   +8 more
wiley   +1 more source

Dephasingless two-color terahertz generation

Scientific Reports
A laser pulse composed of a fundamental and an appropriately phased second harmonic can drive a time-dependent current of photoionized electrons that generates broadband THz radiation.
Tanner T. Simpson, Jeremy J. Pigeon, Kyle G. Miller, Dillon Ramsey, Dustin H. Froula, John P. Palastro   +5 more
doaj   +1 more source

Aggressive prostate cancer is associated with pericyte dysfunction

Molecular Oncology, EarlyView.
Tumor‐produced TGF‐β drives pericyte dysfunction in prostate cancer. This dysfunction is characterized by downregulation of some canonical pericyte markers (i.e., DES, CSPG4, and ACTA2) while maintaining the expression of others (i.e., PDGFRB, NOTCH3, and RGS5).
Anabel Martinez‐Romero, Ane Martinez‐Larrinaga, Joaquim Grego‐Bessa, Saioa Garcia‐Longarte, Hielke van Splunder, Ianire Astobiza, Amaia Ercilla, Laura Bozal‐Basterra, Isabel Mendizabal, Pilar Villacampa, Arkaitz Carracedo, Mariona Graupera   +11 more
wiley   +1 more source

Numerical studies of baroclinic instability at small Richardson number [PDF]

, 1984
Baroclinic instability at small Richardson number consists of competition between symmetric (Solberg) modes, zonal (Eady) modes, and possibly other modes whose orientation is neither symmetric nor zonal.
Miller, T. L.
core   +1 more source

Energetics, forces, and quantized conductance in jellium modeled metallic nanowires

, 1998
Energetics and quantized conductance in jellium modeled nanowires are investigated using the local density functional based shell correction method, extending our previous study of uniform in shape wires [C. Yannouleas and U. Landman, J. Phys. Chem.
A. Erdelyi, A. Stalder, A. Yacoby, C. Yannouleas, C. Yannouleas, C. Yannouleas, C. Yannouleas, C. Yannouleas, C. Yannouleas, C. Yannouleas, C. Yannouleas, C. Yannouleas, C. Yannouleas, C. Yannouleas, C.A. Stafford, C.H. Hodges, Constantine Yannouleas, D.P.E. Smith, E. Jahnke, E.N. Bogachek, E.N. Bogachek, E.N. Bogachek, E.N. Bogachek, E.N. Bogachek, Eduard N. Bogachek, G. Rubio, J.A. Torres, J.B. Keller, J.I. Pascual, J.I. Pascual, J.L. Costa-Kramer, J.M. Krans, J.M. van Ruitenbeek, J.P. Perdew, L. Olesen, L.I. Glazman, M. Brack, M. Brack, M. Brandbyge, N.D. Lang, N.D. Lang, N.D. Lang, N.D. Lang, O. Gunnarsson, R. Landauer, R.B. Dingle, R.N. Barnett, T. Kizuka, T.N. Todorov, T.P. Martin, U. Landman, U. Landman, U. Landman, U. Landman, Uzi Landman, V.I. Falko, V.M. Strutinsky, V.M. Strutinsky, W. Ekardt, W.A. De Heer, Y. Imry, Yu. V. Sharvin   +61 more
core   +1 more source