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Full-Text Articles in Physics

Constructing Diabatic States From Adiabatic States: Extending Generalized Mulliken–Hush To Multiple Charge Centers With Boys Localization, Joseph E. Subotnik, Robert J. Cave, Sina Yeganeh, Mark A. Ratner Dec 2008

Constructing Diabatic States From Adiabatic States: Extending Generalized Mulliken–Hush To Multiple Charge Centers With Boys Localization, Joseph E. Subotnik, Robert J. Cave, Sina Yeganeh, Mark A. Ratner

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This article shows that, although Boys localization is usually applied to single-electron orbitals, the Boys method itself can be applied to many electron molecular states. For the two-state charge-transfer problem, we show analytically that Boys localization yields the same charge-localized diabatic states as those found by generalized Mulliken–Hush theory. We suggest that for future work in electron transfer, where systems have more than two charge centers, one may benefit by using a variant of Boys localization to construct diabatic potential energy surfaces and extract electronic coupling matrix elements. We discuss two chemical examples of Boys localization and propose a ...


Synthesis And Assembly Of Nonspherical Hollow Silica Colloids Under Confinement, Stephanie H. Lee, Sharon J. Gerbode, Bettina S. John, Angie K. Wolfgang, Fernando A. Escobedo, Itai Cohen, Chekesha M. Liddell Sep 2008

Synthesis And Assembly Of Nonspherical Hollow Silica Colloids Under Confinement, Stephanie H. Lee, Sharon J. Gerbode, Bettina S. John, Angie K. Wolfgang, Fernando A. Escobedo, Itai Cohen, Chekesha M. Liddell

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Hard peanut-shaped colloids were synthesized and organized into a degenerate crystal (DC), a phase previously observed only in simulations. In this structure, particle lobes tile a triangular lattice while their orientations uniformly populate the three underlying crystalline directions.


Restricted Dislocation Motion In Crystals Of Colloidal Dimer Particles, Sharon J. Gerbode, Stephanie H. Lee, Chekesha M. Liddell, Itai Cohen Aug 2008

Restricted Dislocation Motion In Crystals Of Colloidal Dimer Particles, Sharon J. Gerbode, Stephanie H. Lee, Chekesha M. Liddell, Itai Cohen

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Received 2 April 2008; published 1 August 2008; corrected 1 October 2008

At high area fractions, monolayers of colloidal dimer particles form a degenerate crystal (DC) structure in which the particle lobes occupy triangular lattice sites while the particles are oriented randomly along any of the three lattice directions. We report that dislocation glide in DCs is blocked by certain particle orientations. The mean number of lattice constants between such obstacles is Z̅ exp=4.6±0.2 in experimentally observed DC grains and Z̅ sim=6.18±0.01 in simulated monocrystalline DCs. Dislocation propagation beyond these obstacles is ...


Designs And Optical Tests Of Thermal Links For An Optical Refrigerator, John Parker, David Mar, Steven Von Der Porten, John Hankinson, Kevin Byram, Chris Lee, Kai Mayeda, Richard C. Haskell, Qimin Yang, Scott R. Greenfield, Richard I. Epstein Feb 2008

Designs And Optical Tests Of Thermal Links For An Optical Refrigerator, John Parker, David Mar, Steven Von Der Porten, John Hankinson, Kevin Byram, Chris Lee, Kai Mayeda, Richard C. Haskell, Qimin Yang, Scott R. Greenfield, Richard I. Epstein

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Dielectric mirror leakage at large angles of incidence limits the effectiveness of solid state optical refrigerators due to reheating caused by photon absorption in an attached load. In this paper, we present several thermally conductive link solutions to greatly reduce the net photon absorption. The Los Alamos Solid State Optical Refrigerator (LASSOR) has demonstrated cooling of a Yb/sup 3+/ doped ZBLANP glass to 208 K. We have designed optically isolating thermal link geometries capable of extending cooling to a typical heat load with minimal absorptive reheating, and we have tested the optical performance of these designs. A surrogate source ...


Computer Modeling And Analysis Of Thermal Link Performance For An Optical Refrigerator, Kevin Byram, David Mar, John Parker, Steven Von Der Porten, John Hankinson, Chris Lee, Kai Mayeda, Richard C. Haskell, Qimin Yang, Scott R. Greenfield, Richard I. Epstein Feb 2008

Computer Modeling And Analysis Of Thermal Link Performance For An Optical Refrigerator, Kevin Byram, David Mar, John Parker, Steven Von Der Porten, John Hankinson, Chris Lee, Kai Mayeda, Richard C. Haskell, Qimin Yang, Scott R. Greenfield, Richard I. Epstein

All HMC Faculty Publications and Research

We have used the thermal modeling tool in COMSOL Multiphysics to investigate factors that affect the thermal performance of the optical refrigerator. Assuming an ideal cooling element and a non-absorptive dielectric trapping mirror, the three dominant heating factors are blackbody radiation from the surrounding environment, conductive heat transfer through mechanical supports, and the absorption of fluorescent photons transmitted through the thermal link. Laboratory experimentation coupled with computer modeling using Code V optical software have resulted in link designs capable of reducing the transmission to 0.04% of the fluoresced photons emitted toward the thermal link. The ideal thermal link will ...


New Mechanism For Nonlocality From String Theory: Uv-Ir Quantum Entanglement And Its Imprints On The Cmb, Gregory Minton '08, Vatche Sahakian Jan 2008

New Mechanism For Nonlocality From String Theory: Uv-Ir Quantum Entanglement And Its Imprints On The Cmb, Gregory Minton '08, Vatche Sahakian

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Puff field theories (PFT) arise as the decoupling limits of D3 branes in a Melvin universe and exhibit spatially nonlocal dynamics. Unlike other realizations of nonlocality in string theory, PFTs have full SO(3) rotational symmetry. In this work, we analyze the strongly coupled regime of a PFT through gravitational holography. We find a novel mechanism at the heart of the phenomenon of nonlocality: a quantum entanglement of UV and IR dynamics. In the holographic bulk, this translates to an apparent horizon splitting the space into two regions—with the UV completion of the PFT sitting at the horizon. We ...