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NIST Authors in Bold

Displaying 5876 - 5900 of 7113

Structural Polymorphism in "Kesterite" Cu 2 ZnSnS 4 : Raman Spectroscopy and First-principles Calculations Analysis

March 20, 2017
Author(s)
Mirjana NMN Dimitrievska, Federica Boero, Alexander P. Litvinchuk, Simona Delsante, Gabriella Borzone, Alejandro Perez-Rodriguez, Victor Izquierdo-Roca
This work presents a comprehensive analysis of the structural and vibrational properties of the kesterite Cu 2ZnSnS 4 (CZTS, I-4 space group) as well as its polymorphs with the space group P-42c and P-42m, from both experimental and theoretical point of

High-resolution valence and core excitation spectra of solid C60 via first-principles calculations and experiment

March 8, 2017
Author(s)
Eric L. Shirley, Keith Gilmore, Josh J. Kas, John J. Rehr, Fernando D. Vila, Frederic Fossard, Gilles Hug
We present calculated optical and carbon 1s near-edge spectra of crystalline and molecular C60 and those measured with high-resolution electron energy-loss spectroscopy. The near-edge calculations are carried out using three different methods: solution of

Moment Method for Obtaining Particle Size Measures of Test Smokes

February 19, 2017
Author(s)
Thomas Cleary, D W. Weinert, George Mulholland
The number concentration, ionization chamber output, and mass concentration were recorded continuously for five different test smokes generated in the fire emulator/detector evaluator. The number and the mass concentrations are direct measures of the

All-Dimensional H2-CO Potential: Validation with Fully Quantum Second Virial Coefficients

February 3, 2017
Author(s)
Giovanni Garberoglio, Piotr Jankowski, Krzysztof Szalewicz, Allan H. Harvey
We use a new high-accuracy all-dimensional potential to compute the cross second virial coefficient B12(T) between molecular hydrogen and carbon monoxide. The path-integral method is used to fully account for quantum effects. Values are calculated from 10

Perpendicular magnetic anisotropy of two-dimensional Rashba ferromagnets

November 3, 2016
Author(s)
Kyoung-Whan Kim, Kyung Jin Lee, Hyun-Woo Lee, Mark D. Stiles
We compute the magnetocrystalline anisotropy energy within two-dimensional Rashba models. For a free- electron Rashba model with infinite band width and infinite Brillouin zone, the anisotropy is exactly zero no matter how strong the Rashba coupling is

A pseudo-3D model to investigate heat and water transport in large area PEM fuel cells - Part 2: Application on an automotive driving cycle

September 14, 2016
Author(s)
Daniel S. Hussey, J-P Poirot-Crouvezier, M. Chandesris, S. Rosini, David L. Jacobson, Jacob M. LaManna, A. Morin, Y. Bultel
In this work, the pseudo-3D multiphysics model introduced in Part 1 of this two-part series of papers is used to investigate heat and water transport in a proton exchange membrane fuel cell designed for an automotive application. The main advantage of the

Optical Spintronics in Organic-Inorganic Perovskites Photovoltaics

April 25, 2016
Author(s)
Junwen Li, Paul M. Haney
Organic-inorganic halide CH 3NH 3PbI 3 solar cells have attracted enormous attention in recent years due to their remarkable power conversion efficiency. These materials should exhibit interesting spin-dependent properties as well, owing to the strong spin

Genetic circuit design automation

April 1, 2016
Author(s)
Alec Nielsen, Bryan Der, Jonghyeon Shin, Prashant Vaidyanathan, Douglas Densmore, Vanya M. Paralanov, Elizabeth Strychalski, David J. Ross, Christopher Voigt
Computation can be performed in living cells using DNA-encoded circuits that process sensory information and control biological functions. Their construction is time-intensive, requiring manual part assembly and balancing of regulator expression. We

Double-integrating-sphere system at the National Institute of Standards and Technology in support of measurement standards for the determination of optical properties of tissue-mimicking phantoms

October 27, 2015
Author(s)
Paul Lemaillet, Jeeseong C. Hwang, David W. Allen
There is a need for a common reference point that will allow for the comparison of the optical properties of tissue mimicking phantoms. This paper provides a brief review of the methods that have been used to measure tissue mimicking phantoms. The review

Creating Nanostructured Superconductors by Local Current Annealing

September 17, 2015
Author(s)
Hongwoo H. Baek, Jeonghoon Ha, Duming Zhang, Bharath NMN Natarajan, Jonathan P. Winterstein, Renu Sharma, Rongwei Hu, Kefeng Wang, Steven Ziemak, Johnpierre Paglione, Young Kuk, Nikolai B. Zhitenev, Joseph A. Stroscio
… superconductivity, with possible applications in quantum computing. However, challenges remain in controlling the …

Simulation Methodology for Coupled Structural Fire Analysis

May 28, 2015
Author(s)
Chao Zhang, Julio C. Goncalves Da Silva, Craig G. Weinschenk, Daisuke Kamikawa, Yuji Hasemi
Advanced simulation methods are needed to precisely predict the complex behavior of structures exposed to natural fire conditions. Fire Dynamics Simulator (FDS) is a computational fluid dynamics (CFD) code, developed by NIST for fire related simulations

Data Formats for Elementary Gas Phase Kinetics: Part 3. Reaction Classification

April 20, 2015
Author(s)
Donald R. Burgess Jr., Jeffrey A. Manion, Carrigan J. Hayes
A method denoted InChI ER has been developed to describe and identify elementary reactions in a standard computer-readable notation by extending the IUPAC International Chemical Identifier (InChI) formalism. Five additional hierarchical InChI ER layers

Interplay of particle shape and suspension properties: a study of cube-like particles

March 20, 2015
Author(s)
Debra J. Audus, Ahmed M. Hassan, Edward J. Garboczi, Jack F. Douglas
With advances in anisotropic particle synthesis, particle shape is now a feasible parameter for tuning suspension properties. However, there is a need to determine how these newly synthesized particles affect suspension properties and a need to solve the

Local Strain Exerted on Nb 3 Sn Filaments in an ITER Strand

March 13, 2015
Author(s)
Kozo Osamura, Shutaro Machiya, Stefanus Harjo, Tatsushi Nakamoto, Najib Cheggour, Arend Nijhuis
… were also measured and their behavior was analyzed by computing diffraction elastic moduli based on micromechanics …

Report on Pairing-based Cryptography

February 3, 2015
Author(s)
Dustin Moody, Rene C. Peralta, Ray A. Perlner, Andrew R. Regenscheid, Allen L. Roginsky, Lidong Chen
This report summarizes study results on pairing-based cryptography. The main purpose of the study is to form NIST’s position on standardizing and recommending pairing-based cryptography schemes currently published in research literature and standardized in

Environment-assisted quantum control of a solid state spin via 2-color coherent dark states

September 7, 2014
Author(s)
Jacob M. Taylor, Jack Hansom, Carsten Schulte, Claire Le Gall, Clemens Matthiesen, Edmund Clarke, Maxime Hugues, Mete Atature
Semiconductor quantum dots (QDs) offer an efficient and scalable interface between single spins and optical photons. However, the solid-state environment of the QD represents an inherent source of noise, generally considered detrimental to coherent control

Observation of Small Cluster Formation in Concentrated Monoclonal Antibody Solutions and Its Implications to Solution Viscosity

April 15, 2014
Author(s)
Eric J. Yearley, Paul D. Godfrin, Tatiana NMN Perevozchikova, Hailiang Zhang, Peter Falus, Lionel Porcar, Michihiro Nagao, Joseph E. Curtis, Pradad Gawande, Rosalynn Taing, Isidro E. Zarraga, Norman J. Wagner, Yun Liu
Monoclonal antibodies (mAbs) are a major class of biopharmaceuticals. Some concentrated mAb solutions are hypothesized to exhibit the formation of a solution phase consisting of reversibly self-associated aggregates (or reversible clusters), which is

Application of physical and chemical characterization techniques to metallic powders

August 28, 2013
Author(s)
Edward J. Garboczi, John A. Slotwinski, Max A. Peltz, Chiara F. Ferraris, Stephanie S. Watson, Paul E. Stutzman
Systematic studies have been done on two different powder materials used for additive manufacturing: stainless steel and cobalt-chrome. The characterization of these powders is important in NIST efforts to develop appropriate measurements and standards for
Displaying 5876 - 5900 of 7113
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