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81. Use of the Grand Canonical Transition-Matrix Monte Carlo Method to Model Gas Adsorption in Porous Materials
Topic: Chemistry
Published: 2/21/2013
Authors: Daniel W Siderius, Vincent K Shen
Abstract: We present grand canonical transition-matrix Monte Carlo (GC-TMMC) as an efficient method for simulating gas adsorption processes, with particular emphasis on subcritical gas adsorption in which capillary phase transitions are present. As in other a ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=912491

82. Measurement Science Needs for the Expanded Use of Green Concrete: Workshop Summary Report
Series: Technical Note (NIST TN)
Report Number: 1783
Topic: Chemistry
Published: 2/6/2013
Authors: Kenneth Alan Snyder, Dale P Bentz, Jeffrey W Bullard, Chiara F Ferraris, Nicos Martys, Paul E Stutzman
Abstract: In July 2012, NIST conducted the Green Concrete Workshop to bring together stakeholders from the concrete construction industry and identify critical needs for the expanded use of industrial by- product materials, such as fly ash and slag, in conc ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=913076

83. Improving Concrete Bridge Decks with Internal Curing
Topic: Chemistry
Published: 2/1/2013
Authors: Jason Weiss, Dale P Bentz, Carmelo DiBella
Abstract: Transportation agencies strive to provide durable, long lasting concrete bridge decks. While high performance concrete is frequently desired due to its resistance to chloride ingress and corrosion, these mixtures are often accompanied with an increa ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=909651

84. To Predict Vibrational Spectra, Are Anharmonic Calculations Worthwhile?
Topic: Chemistry
Published: 1/22/2013
Authors: Ruth Lafuente Jacobsen, Karl K Irikura, Russell D Johnson III, Raghu N Kacker
Abstract: Anharmonic calculations using vibrational perturbation theory are known to provide near-spectroscopic accuracy when combined with high-level ab initio potential energy functions. However, performance with economical, popular electronic structure meth ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=911024

85. ELUCIDATING THE SURFACE COMPOSITION OF MECHANICALLY MODULATED COLLAGEN FIBRIL FILMS WITH TOF-SIMS
Topic: Chemistry
Published: 1/17/2013
Authors: Christopher R Anderton, Kiran Bhadriraju, Frank W DelRio, Anne L Plant
Abstract: The extracellular matrix (ECM) environment plays a critical role in organism development and disease. Consequently, developing complementary analytical techniques to study bioactive scaffolds can assist in understanding cell-ECM processes. We have ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=910931

86. Weathering Patterns of Ignitable Liquids with the Advanced Distillation Curve Method
Series: Journal of Research (NIST JRES)
Report Number: 118.003
Topic: Chemistry
Published: 1/17/2013
Authors: Samuel Allen, Thomas J Bruno
Abstract: One can take advantage of the striking similarity of ignitable liquid vaporization (or weathering) patterns and the separation observed during distillation to predict the composition of residual compounds in fire debris. This is done with the ad ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=907398

87. Gallium Nitride Nanowires for On-Chip Optical Interconnects on Ex-Situ Substrates
Topic: Chemistry
Published: 1/16/2013
Authors: Matthew David Brubaker, Paul Timothy Blanchard, John B Schlager, Aric Warner Sanders, Alexana Roshko, Shannon Marie Madison Duff, Jason Gray, Victor M. Bright, Norman A Sanford, Kristine A Bertness
Abstract: In this letter we report on the fabrication, device characteristics, and optical coupling of a two-nanowire device comprising light-emitting diode and photoconductive GaN nanowires. Axial p-n junction GaN nanowires were grown by molecular beam epita ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=912280

88. Identifying improved standardized tests for measuring cement particle size and surface area
Topic: Chemistry
Published: 1/14/2013
Authors: Chiara F Ferraris, Edward Joseph Garboczi
Abstract: The Blaine fineness (Blaine) of a cement powder is a single parameter that is meant to characterize the specific surface area of a cement, and is assumed to be linked to physical and mechanical properties such as strength, setting time, and rheology. ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=911893

89. Selective Streptavidin Bioconjugation on Si and SiC nanowires for Biosensor Applications.
Topic: Chemistry
Published: 1/14/2013
Authors: Elissa H Williams, John A. Schreifels, Mulpuri V. Rao, Albert Davydov, Vladimir Pavlovich Oleshko, Nancy J Lin, Kristen L Steffens, Sergiy Krylyuk, Kristine A Bertness, Amy Manocchi, Yaroslav Koshka
Abstract: A functionalization method for the specific and selective immobilization of the streptavidin (SA) protein on semiconductor nanowires (NWs) was developed. Silicon (Si) and silicon carbide (SiC) NWs were functionalized with 3-aminopropyltriethoxysilane ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=911944

90. Protective performance of environmentally stressed fabrics containing melamine fiber blends
Topic: Chemistry
Published: 1/12/2013
Authors: Shonali Nazare, Shaun M. Flynn, Rick D Davis, Joannie W Chin
Abstract: In this study, environmentally stressed OS fabrics containing melamine fiber blends were evaluated for thermal and mechanical properties that are critical to the protective performance of firefighter turnout gear. Environmental stress factors that a ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=911977



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