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Displaying 4526 - 4550 of 7112

An Open Standard for Chemical Structure Representation: The IUPAC Chemical Identifier

September 1, 2003
Author(s)
Stephen E. Stein, Stephen R. Heller, Dmitrii V. Tchekhovskoi
IUPAC has long been involved in the development of systematic and standard procedures for naming chemical substances on the basis of their structure. The resulting rules of nomenclature, while covering almost all compounds, were designed for text-based

Amorphous Solidification in Polymer-Platelet Nanocomposites

December 1, 2002
Author(s)
S Salaniwal, S K. Kumar, Jack F. Douglas
Computer simulations are used to understand the molecular basis of mechanical reinforcement of platelet-filled polymers when the polymer and nanofiller interact attractively. With decreasing temperature, there is increasing aggregation between chains and

Momentum Dependence of Fluorine K-Edge Core Exciton in LiF

April 1, 2002
Author(s)
K Hamalainen, S Galambosi, J A. Soininen, Eric L. Shirley, A Shukla, J P. Rueff
Non-resonant inelastic x-ray scattering spectra have been measured with an energy loss close to the fluorine K-edge of lithium fluoride. The extracted dynamic structure factor is well reproduced by an ab initio computational scheme that takes the electron

Model Checkers in Software Testing

February 1, 2002
Author(s)
Paul E. Black, P E. Ammann, W Ding
The primary focus of formal methods is static analysis of specifications and code, but there is also a long tradition of exploiting formal methods for testing. This paper continues this model by exploring the role of model checkers in software testing

NIST Sparse BLAS User's Guide

May 1, 2001
Author(s)
K Remington, Roldan Pozo
This document provides a guide and reference manual for a portable numerical library for sparse matrix computations. These Basic Linear Algebra Subprograms (BLAS) provide kernelsfor forming sparse matrix products (of the form C = aAB + bC. where a and b

Algebraic Constraints Implying Monotonicity for Cubics

January 1, 2000
Author(s)
Charles D. Fenimore, John M. Libert, M. Brill
While it is straightforward to formulate constraints which ensure a cubic polynomial is monotonic on an interval, such constraints may not be in a form which is suitable for use in standard optimization software. The MATLAB package is typical; the required

Probing the Location of the Terminal Groups of Dendrimers in Dilute Solution

October 1, 1999
Author(s)
A Topp, Barry J. Bauer, J W. Klimash, R Spindler, D A. Tomalia, Eric J. Amis
The spatial distribution of the terminal groups of poly (amido amine) dendrimers have been determined experimentally by small angle neutron scattering with deuterium labeling and scattering contract variation. The radius of gyration of deuterated terminal

Robust SOLT and Alternative Calibrations for Four-Sampler Vector Network Analyzers

October 1, 1999
Author(s)
Jeffrey Jargon, Roger Marks, D. K. Rytting
This paper assesses the accuracy of several proposed lumped-element calibration techniques for four-sampler vector network analyzers in the face of imperfectly defined standards. We find that these methods offer a wide range of accuracies, depending on the

Architecture for Discrete Construction Component Tracking

September 22, 1999
Author(s)
K M. Furlani, William C. Stone
Accurate and timely identification and tracking of construction components are critical to operating a well-managed and cost efficient construction project. Establishing standards to support identification and tracking technologies has the potential to

Effect of Surface Free Energy Anisotrophy on Dendrite Tip Shape

August 1, 1999
Author(s)
Richard J. Braun, J Zhang, John W. Cahn, Geoffrey B. McFadden, A A. Wheeler
We describe a mean field, free energy model that allows the computation of realistic phase diagrams for a particular set of ordering transitions in face-centered-cubic (FCC) binary alloys. The model is based on a sixth-order Landau expansion of the free

Carbon Monoxide and Soot Formation in Inverse Diffusion Flames.

May 1, 1999
Author(s)
L G. Blevins, George W. Mulholland, R W. Davis
The objective of this project is to study carbon monoxide (CO) and soot formation in laminar, inverse diffusion flames (IDFs). The IDF is used because it is a special case of underventilated combustion. The microgravity environment is crucial for this

Metrology for Information Technology (IT)

January 1, 1997
Author(s)
Lisa Carnahan, M M. Gray, Michael Hogan, Ted Hopp, Jeffrey Horlick, Gordon E. Lyon, Elena R. Messina
The scope of this white paper is the testing or measuring of digital information technology (IT) systems attributes or proporties; the use of digitial IT systems in testing and measuring; and the underlying mathematical, computational, and statistical

Quantitative Surface Analysis by X-Ray Photoelectron Spectroscopy

January 1, 1978
Author(s)
Cedric J. Powell
Measurements have been made of the relative intensities of the principal features in X-ray photoelectron spectra of indium, lead, and aluminum oxide and compared with those expected from a simple model for the photoemission process. Systematic effects in

Microstructural Features and Metastable Phase Formation in a High-Strength Aluminum Alloy Fabricated Using Additive Manufacturing

April 25, 2025
Author(s)
Andrew Iams, Jordan Weaver, Brandon Lane, Lucille Giannuzzi, Feng Yi, Darby LaPlant, John Martin, Fan Zhang
Additive manufacturing (AM) has captured recent attention for its potential to fabricate high-strength aluminum alloy components. A detailed understanding of the microstructure under the as-fabricated conditions is required to harness its potential. We

Layer ensemble averaging for fault tolerance in memristive neural networks

February 1, 2025
Author(s)
Osama Yousuf, Brian Hoskins, Karthick Ramu, Mitchell Fream, William Borders, Advait Madhavan, Matthew Daniels, Andrew Dienstfrey, Jabez McClelland, Martin Lueker-Boden, Gina Adam
… dimensionalities. As this scaling continues, conventional computing systems are becoming increasingly inefficient due …

Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models

September 5, 2024
Author(s)
Harold Hatch, Christina Bergonzo, Marco Blanco, Guangcui Yuan, Sergei Grudinin, Mikael Lund, Joseph E. Curtis, Alexander Grishaev, Yun Liu, Vincent K. Shen
We develop a multiscale coarse-grain model of the NIST Monoclonal Antibody Reference Material 8671 (NISTmAb) to enable systematic computational investigations of high-concentration physical instabilities such as phase separation, clustering, and

Quantum Scattering of Icosahedron Fullerene C_60} with Noble-Gas Atoms

April 22, 2024
Author(s)
Eite Tiesinga, Jacek Klos, Svetlana Kotochigova
There exist multiple ways to cool neutral molecules. A front runner is the technique of buffer gas cooling, where momentum-changing collisions with abundant cold noble-gas atoms cool the molecules. This approach can, in principle, produce the most diverse
Displaying 4526 - 4550 of 7112
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