An official website of the United States government
Here’s how you know
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
We use Monte Carlo simulations to investigate the thermodynamic behavior of soft porous crystal (SPC) adsorbents under the influence of an external barostat. We consider SPCs that naturally exhibit polymorphism between crystal forms of two distinct pore
James A. Warren, Daniel Wheeler, David Brough, Surya Kalidindi
This paper develops and demonstrates a novel data science framework for capturing and communicating critical information regarding the evolution of material structure in spatiotemporal multiscale simulations of various processing operations employed by the
Marcus Baer, Ingrid Repins, Lothar Weinhardt, Jan Alsmeier, Sujitra Pookpanratana, Monika Blum, Wanli Yang, Clemens Heske, Regan Wilks, Rommel Noufi
The chemical structure of the CdS/Cu2ZnSnSe4 (CZTSe) interface was studied by a combination of different surface-sensitive and near-surface bulk-sensitive electron and x-ray spectroscopies. We find a CdS deposition-induced "redistribution" of elements in
Matthew J. Connolly, Peter E. Bradley, Andrew J. Slifka, Elizabeth S. Drexler
A gas-pressure chamber has been designed, constructed, and tested at a moderate pressure (3.4 MPa, 500 psi) and has the capability of mechanical loading of steel specimens for neutron scattering measurements. The chamber will allow a variety of in situ
Wen-Yuan Pei, Guohai Xu, Jin Yang, Hui Wu, Banglin Chen, Wei Zhou, Jian-Fang Ma
We propose a design strategy for assembly of metal-coordinated calix[4]resorcinarene cavitands and cages by tuning of the ancillary linkers. Assembly of newly functionalized cavitand with angular isophthalic acid analogs afford three intriguing metal
Sara V. Orski, Wesley S. Farrell, Andre M. Striegel, Kathryn L. Beers
NISTs approach to modernizing its synthetic polymer reference materials is to target precise and robust synthetic methods, making homogeneous standards than can be easily tailored to include desired chemistry, molar mass, and topography. This strategy
A three-dimensional hydrogen-bonded organic framework (HOF-9) with suitable pore sizes and functional amine groups on the pore surfaces has been realized, exhibiting a highly selective recognition towards pyridine over BTX (BTX stans for benzene, toluene
Understanding the changes in the microstructures and structures of clays with varying intercalated metal ions at elevated temperatures is of importance for many applications ranging from engineering materials such as ceramics for fuel cell applications to
Ballistic clay is used as a backing material for standards-based ballistic resistance tests for the purposes of providing a measure of the energy transferred to the body when a threat is defeated. However, this material exhibits complex thermomechanical
Tyler J. Cooksey, Avantika Singh, Kim Mai Le, Shu Wang, Elizabeth Kelley, Lilin He, Sameer Vajjala Kesava, Enrique D. Gomez, Bryce E. Kidd, Louis A. Madsen, Megan L. Robertson
The structural properties and solvent uptake of biocompatible poly(ethylene oxide-b/}-ε-caprolactone) (PEO-PCL) diblock copolymers in deuterated water (D 2O)/tetrahydrofuran (THF d8) mixtures were investigated with a combination of small-angle neutron
Kaya Wei, Joshua Martin, Satofumi Maruyama, Lukasz Wojtas, Takao Mori, George S. Nolas
The madocite Pb17(Sb0.75As0.25)16S41 was synthesized by reaction of binary compounds and densified using hot pressing. The optical band-gap, thermal stability, and temperature-dependent heat capacity and thermal conductivity are reported for the first time
Edward J. Garboczi, David F. Plusquellic, Robert D. McMichael, Virgil Provenzano, Paul E. Stutzman, Jack T. Surek, Shin G. Chou, Shuangzhen Wang
Virtually every corrosion detection method reports only the presence of a material phase denoting probable corrosion, not its spectral signature. A signature specific to the type of iron oxide corrosion would not only confirm the presence of corrosion but
In this paper we consider the diffusion of water vapour into silica glass at relatively low temperatures, 25°C to ≈500°C. Extensive studies of such diffusion by others have shown that water diffusion from inert gases behaves differently than diffusion from
Evgheni Strelcov, Qingfeng Dong, Tao Li, Jungseok Chae, Yuchuan Shao, Yehao Deng, Alexei Gruveman, Jinsong Huang, Andrea Centrone
Ferrolectricity has been proposed as a plausible meachanism to explain the high photovoltaic conversion efficiency in organic-inorganic perovskites; however, convincing experimental evidence in support to this hypothesis is still missing. Identifying and
K. A. Ross, J. M. Brown, R. J. Cava, J. W. Krizan, S. E. Nagler, Jose Rodriguez Rivera, M. B. Stone
The antiferromagnetic pyrochlore material NaCaCo 2F 7 is a thermal spin liquid over a broad temperature range (approximately equal} 140 K down to T F = 2.4K), in which magnetic correlations between Co 2+ dipole moments explore a continuous manifold of
Bharath N. Natarajan, Caglar Emiroglu, Jan Obrzut, Douglas M. Fox, Beatriz Pazmino, Jack F. Douglas, Jeffrey W. Gilman
A known deterrent to a large scale development and use of cellulose nanocrystals (CNCs) is their affinity for moisture, which has a profound effect on dispersion, wetting, interfacial adhesion, matrix crystallization and water uptake. To quantify the
In this article, we review the progress in the area of electrochemical technology with Lewis acidic haloaluminate room-temperature ionic liquids (RTILs), such as AlCl31-ethyl-3-methylimidazolium chloride and AlBr31-ethyl-3- methylimidazolium bromide, and
Haidong Zhang, Hanyu Liu, Kaya Wei, Oleksandr Kurakevych, Zhenxian Liu, Yann Godec, Joshua Martin, Michael Guerrette, George S. Nolas, Timothy A. Strobel
Large-volume, phase-pure synthesis of BC8 silicon (Ia3 ̅, cI16) has enabled bulk measurements of optical, electronic and thermal properties. Unlike previous reports that conclude BC8-Si is semimetallic, we demonstrate that this phase is a direct band gap
Hao Ma, Anouk Killaars, Frank W. DelRio, Chun Yang, Kristi S. Anseth
Valvular interstitial cells (VICs) are key regulators of the heart valve's extracellular matrix (ECM), and upon tissue damage, quiescent VIC fibroblasts become activated to myofibroblasts. As the behavior of VICs during disease progression and wound
Erkan NMN Senses, Siyam M. Ansar, Christopher L. Kitchens, Yimin NMN Mao, Suresh Narayanan, Bharath NMN Natarajan, Antonio Faraone
Using neutron spin-echo spectroscopy, X-ray photon correlation spectroscopy and bulk rheology, we studied the effect of particle size on the single chain dynamics, particle mobility, and bulk viscosity in athermal polyethylene oxide-gold nanoparticle
A porous metal-organic framework [Cu 2L(H 2O) 2]𔅛DMF𔅘H 2o (UTSA-90, H 4L = 2',5'-dimethoxy-[1,1':4',1"-Terphenyl]-3,3",5,5"-tetracarboxylic acid) functionalized with methoxy groups has been successfully constructed and structurally
Martin L. Green, Joshua B. Martin, Zachary T. Trautt
The Materials Genome Initiative, a national effort to introduce new materials into the market faster and at lower cost, has made significant progress in computational simulation and modeling of materials. To build on this progress, a large amount of