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Journals

A Systematic Approach for Development of an OPLS-Like Force Field and Its Application to Hydrofluorocarbons

November 19, 2012

Author(s)

Yauheni Paulechka, Kenneth G. Kroenlein, Andrei F. Kazakov, Michael D. Frenkel

A systematic, formal approach to optimization of force filed parameters for molecular simulations is presented. The procedure is based on response surface...

Mitigation of Autogenous Shrinkage in Alkali Activated Slag Mortars by Internal Curing

November 19, 2012

Author(s)

Aaron R. Sakulich, Dale P. Bentz

Alkali activated slag shows considerable promise as an environmentally friendly alternative to binders produced from ordinary portland cement (OPC). The...

Absolute line intensities for ethylene from 1800 to 2350 cm-1.

November 17, 2012

Author(s)

Walter J. Lafferty, Jean-Marie Flaud, A. Ben Hassen, F. K. Kwabia Tchana, X Landsheere, H Aroui

Fourteen Fourier transform spectra of ethylene (C2H4) have been recorded in the 1800-2350 spectral domain with different path-lengths and pressures and used to...

Surface States in Negative-Band-Gap Semiconductor Films: Intrinsic or Topological?

November 17, 2012

Author(s)

Natalia Malkova, Garnett W. Bryant

Recently surface states in negative gap structures made of semiconductors like HgTe, which appear due to the band structure inversion, have attracted renewed...

Correction to "OH reaction rate constant, IR absorption spectrum, ozone depletion potentials and global warming potentials of 2-bromo-3,3,3-trifluoropropene"

November 17, 2012

Author(s)

Kenneth O. Patten, Victor Khamaganov, Vladimir L. Orkin, Donald J. Wuebbles

Capillary Wave Dynamics of Thin Polymer films over Submerged Nanostructures

November 16, 2012

Author(s)

Christopher L. Soles, Hyun W. Ro, K. J. Alvine, Oleg Shpyrko, Yenling Dai, Alec Sandy, Suresh Narayanan

The surface dynamics of thin molten polystyrene films supported by nanoscale periodic silicon line-space gratings were investigated with X-ray photon...

Baseband Voltage and Power in Load-Modulated Digital Backscatter

November 15, 2012

Author(s)

Daniel G. Kuester, David R. Novotny, Jeffrey R. Guerrieri, Zoya Popovic

Passive digital backscatter signals in systems like radio frequency identification (RFID) are usually received along with strong interference from a leaked...

Electronic and atomic structure of Ba8Ga16Ge30-xSix Type I Clathrates: A Ge and Ga K-XAFS Study

November 15, 2012

Author(s)

Azzam Mansour, Joshua B. Martin, Winnie Wong-Ng, George S. Nolas

X-ray absorption fine structure spectroscopy at the Ga and Ge K-edges was used to study changes in the Ga and Ge electronic structure and local coordination...

High-resolution infrared studies of the V10, V11, V14, and V18 levels of [1.1.1] propellane

November 15, 2012

Author(s)

Robynne Kirkpatrick, Tony Masiello, Mathew A. Martin, Joseph W. Nibler, Arthur Maki, Alfons Weber, Thomas A. Blake

This paper is a continuation of earlier work for which the high resolution infrared spectrum of [1.1.1]propellane was measured and its k and l structure...

Introduction to Journal of Modern Optics Special Issue on Single-Photon Devices and Applications

November 15, 2012

Author(s)

Stefan Kueck, Alan L. Migdall, Ivo P. Degiovanni, Jessica Cheung

This special issue accompanies the 5th international conference on single-photon technologies held at the Physikalisch-Technische Bundesanstalt (PTB), Germany...

Gold nanorod separation and characterization by asymmetric-flow field flow fractionation with UV-Vis detection

November 14, 2012

Author(s)

Julien C. Gigault, Tae Joon Cho, Robert I. MacCuspie, Vincent A. Hackley

The application of asymmetrical-flow field flow fractionation (A4F) for gold nanorod (GNR) fractionation and characterization was comprehensively investigated...

Efficient single-spatial-mode periodically-poled KTiOPO4 waveguide source for high-dimensional entanglement-based quantum key distribution

November 14, 2012

Author(s)

Tian Zhong, Franco N. Wong, Alessandro Restelli, Joshua Bienfang

We demonstrate generation of high-purity photon pairs at 1560 nm in a single spatial mode from a periodically-poled KTiOPO4 (PPKTP)waveguide. With nearly...

Chirality-controlled cloning of carbon nanotubes

November 13, 2012

Author(s)

Ming Zheng, Xiaomin X. Tu, Jia Liu, Chuan Wang, Chongwu Zhou

Carbon nanotubes possess superior electrical and optical properties and hold great promise for electronic and biomedical applications1-10. The electronic...

Vibrational modes of GaN nanowires in the gigahertz range

November 13, 2012

Author(s)

Ward L. Johnson, Sudook A. Kim, Roy H. Geiss, Colm Flannery, Kristine A. Bertness, Paul R. Heyliger

Monocrystalline nanowires offer an attractive basis for resonant nanoelectromechanical systems (NEMS) for a variety of applications, including mass and force...

Electrodeposition of Aluminum-Hafnium Alloy from the Lewis Acidic Aluminum Chloride-1-Ethyl-3-methylimidazolium Chloride Molten Salt.

November 13, 2012

Author(s)

Tetsuya Tsuda, Susuma Kuwabata, Gery R. Stafford, Charles Hussey

The electrochemistry of Hf(IV) and the electrodeposition of Al-Hf alloys was examined in the Lewis acidic aluminum chloride-1-ethyl-3-methylimidazolium chloride...

Ultra-low noise regenerative frequency divider

November 11, 2012

Author(s)

Archita Hati, Craig W. Nelson, Corey A. Barnes, Danielle G. Lirette, Jason A. DeSalvo, David A. Howe

We designed ultra-low noise regenerative divider-by-2 circuits that operate at input frequencies of 20 MHz and 10 MHz. We achieved residual output-referred...

Bridging the gap between random microstructure and 3-D meshing

November 10, 2012

Author(s)

Edward Garboczi, Yang Lu

There are different ways of mathematically representing 3-D heterogeneous material structures. But for each of these methods, usually the desired end result is...

Testing the Nations Health care Information Infrastructure

November 10, 2012

Author(s)

Kevin G. Brady, Ram D. Sriram, Bettijoyce B. Lide, Kathleen M. Roberts

According to a report by the Center for Medicare and Medicaid Services [CMS] (http://www.cms.gov), the United States spent nearly $2.6 trillion dollars on...

Electronic structure of Ba-Ga-Ge-Si Type I Clathrates: A Ge and Ga K-Edge Study

November 9, 2012

Author(s)

Winnie Wong-Ng, Azzam Mansour, Joshua Martin, George S. Nolas

XANES spectroscopy was successfully used to study changes in the density of unoccupied states for silicon substituted Ba8Ga16Ge30-xSix type I clathrates...

Next-generation Sequencing: Guidance for the Translation from Research to Clinical Applications

November 8, 2012

Author(s)

Justin M. Zook, Amy Gargis, Lisa Kalman, Ira Lubin

We would like to draw your readers attention to the Next-generation Sequencing: Standardization of Clinical Testing (Nex-StoCT) guidelines, which represent an...

Ambient Low Temperature Plasma Etching of Polymer Films for Virtually Damage-free SIMS Molecular Depth Profiling

November 8, 2012

Author(s)

Shinichiro Muramoto, Timothy M. Brewer, Matthew E. Staymates, John G. Gillen

The feasibility of a low temperature plasma (LTP) probe as a way to prepare polymer bevel cross-sections for secondary ion mass spectrometry (SIMS) applications...

Imaging the Molecular Structure of Polyethylene Blends with Broadband Coherent Raman Microscopy

November 8, 2012

Author(s)

Young J. Lee, Chad R. Snyder, Aaron M. Forster, Marcus T. Cicerone, Wen-Li Wu

Polyethylene (PE) is a ubiquitous material in our daily life appearing as milk bottles, toys and diapers. A lesser-known but increasingly important use of PE is...

Fast Sequential Importance Sampling to Estimate the Graph Reliability Polynomial

November 8, 2012

Author(s)

David G. Harris, Francis Sullivan, Isabel M. Beichl

The reliability polynomial of a graph measures the number of its connected subgraphs of various sizes. Algortihms based on sequential importance sampling (SIS)...

Modeling of Reinforced Concrete Assemblies under a Column Removal Scenario

November 8, 2012

Author(s)

Yihai Bao, Hai S. Lew, Sashi K. Kunnath

This paper presents a computational investigation of two reinforced concrete beam-column assemblies, each comprising three columns and two beams, subjected to...

Determining the Planar Nernst Effect From Magnetic Field Dependent Thermopower and Resistance in Nickel and Permalloy Thin Films

November 8, 2012

Author(s)

Azure Avery, Matthew Pufall, Barry L. Zink

We present magnetic eld dependent measurements of thermopower, α(H), and resistance, R(H), for Ni 80Fe 20 and Ni thin films. We conducted these experiments in...

Observation of the Planar Nernst Effect in Permalloy and Nickel Thin Films with In-Plane Thermal Gradients

November 7, 2012

Author(s)

Matthew R. Pufall, Azure Avery, Barry L. Zink

We present experimental evidence of a transverse thermopower, or planar Nernst effect, in ferromagnetic metal thin films driven by thermal gradients applied in...

Nanoscale Reference Materials for Environmental, Health, and Safety Measurements: Needs, Gaps, and Opportunities

November 7, 2012

Author(s)

Aleksandr B. Stefaniak, Vincent A. Hackley, Gert Roebben, Kensei Ehara, Steve Hankin, Michael T. Postek, Iseult Lynch, Wei-En Fu, Thomas P. Linsinger, Andreas Th?nemann

There is a need to understand and manage potential risks posed to workers, the public, and the environment from exposure to engineered nanomaterials. In...

Structural Association of Nonsteroidal Anti-Inflammatory Drugs with Lipid Membranes

November 7, 2012

Author(s)

Mohan Babu Boggara, Mihaela Mihailescu, Ramanan Krishnamoorti

The location and distribution of ibuprofen, a model nonsteroidal anti-inflammatory drug, in a phospholipid bilayer was examined in molecular detail by a...

Kinetics of Zero Valent Iron Nanoparticle Oxidation in Oxygenated Water

November 6, 2012

Author(s)

Lauren F. Greenlee, Jessica D. Torrey, Justin M. Shaw

Two dimensional spectroscopic imaging of individual ferromagnetic nanostripes

November 6, 2012

Author(s)

Han-Jong H. Chia, Feng Guo, Lyubov Belova, Robert McMichael

We use ferromagnetic resonance force microscopy (FMRFM) to spectroscopically image the edge modes in individual 700 and 400 nm wide Permalloy stripes with a...

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