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Displaying 451 - 475 of 2122

Density Functional Theory Study of the Structure of the Pillared Hofmann compound Ni(3-Methy-4,4'-bipyridine)[Ni(CN)4] (Ni-BpyMe or PICNIC 21)

July 14, 2021
Author(s)
Eric J. Cockayne, Winnie Wong-Ng, Yu-Sheng Chen, Jeffrey T. Culp, Andrew J. Allen
We use dispersion-corrected density functional theory (DFT) to investigate the structure of the pillared Hofmann compound Ni(3-Methy-4,4'-bipyridine)[Ni(CN)4] (NiBpyMe for short, or PICNIC 21). We model the disorder found in experimental X-ray structure

Broadband, High-Frequency Permittivity Characterization for Epitaxial Ba1-xSrxTiO3 Composition-Spread Thin Films

June 24, 2021
Author(s)
Eric J. Marksz, Aaron Hagerstrom, Jasper A. Drisko, James Booth, Nate Orloff, Xiaohang Zhang, Naila Al Hasan, Justin Pearson, Ichiro Takeuchi
Next-generation millimeter-wave (> 30 GHz) telecommunications electronics must be compact, energy efficient, and have good thermal management. Tunable materials may play a role in meeting these requirements for millimeter-wave front-ends, but there are few

Effects of aluminum content on thermoelectric performance of Al CoCrFeNi high-entropy alloys

June 15, 2021
Author(s)
Md Abdullah Al Hasan, Jiaqi Wang, Seungha Shin, Dustin A. Gilbert, Peter K. Liaw, Nan Tang, W. L. N. C. Liyanage, Louis Santodonato, Lisa Debeer-Schmitt, Nicholas Butch
Introducing a non-regular distribution in the mass and bonding by including distinctly different elements can reduce the phonon transport even within structurally well-ordered materials. These distributions are a quality of all high-entropy alloys (HEAs)

Preservative Induced Polysorbate 80 Micelle Aggregation

June 1, 2021
Author(s)
Peter H. Gilbert, Zhenhuan Zhang, Ken K. Qian, David P. Allen, Norman J. Wagner, Yun Liu
Small angle neutron scattering (SANS) studies of a model pharmaceutical formulation reveal how formulation stability depends on the compatibility of individual components. Solutions of two common protein formulation excipients, polysorbate 80 (PS80), a

Late Stage Domain Coarsening Dynamics of Lamellar Block Copolymers

May 26, 2021
Author(s)
Jack F. Douglas, Maninderjeet Singh, Wenjie Wu, Vinay Nuka, Joseph Strzalka, Alamgir Karim
Block copolymer (BCP) phase separation is an intriguing phenomenon whose dynamics can be expected to differ significantly from that of the polymer blends due to constraint of chain connectivity that limits the ultimate scale of phase separation and the

Fabrication of 3D Printed Hydroxyapatite Composite Scaffolds for Bone Regeneration

May 19, 2021
Author(s)
Yoontae Kim, Eun-Jin Lee, Albert Davydov, Stanislav Frakhtbeyen, Jonathan Seppala, Laurence Chow, Tagaki Shozo, Stella Alimperti
Additive biomanufacturing has been adapted in a wide variety of biomedical and tissue engineering applications, including orthopedics. The ability to print biocompatible, patient-specific geometries with controlled porosity, mechanical strength has made

Graded Magnetic Materials

May 17, 2021
Author(s)
Lorenzo Fallarino, Brian Kirby, Eric E. Fullerton
Graded magnetic materials represent a promising new avenue in modern material science from both fundamental and application points of view. Over the course of the last few years, remarkable results have been obtained in (epitaxial) heterostructures based

NIST Software Package for Obtaining Charpy Transition Curves

May 11, 2021
Author(s)
Enrico Lucon, Jolene D. Splett, Amanda Koepke, David Newton
NIST has developed a software package that allows users to fit test results obtained from Charpy or toughness tests as a function of test temperature, thereby obtaining so-called transition curves. Non-linear fitting is available for five regression models

Self-terminating Electrodeposition of Pt on WC Electrocatalysts

May 10, 2021
Author(s)
Thomas P. Moffat
Self-terminating electrochemical deposition is used to grow Pt nanoparticles on tungsten monocarbide (WC) from a pH 4 electrolyte containing 3 mmol/L K2PtCl4 - 0.5 mol/L NaCl. An unconventional potentiodynamic deposition program is used where nucleation is

A Distinct Spin Structure and Giant Baromagnetic Effect in MnNiGe Compounds with Fe-Doping

May 3, 2021
Author(s)
Feiran Shen, Houbo Zhou, Fengxia Hu, Jian-Tao Wang, Hui Wu, Qingzhen Huang, Jiazheng Hao, Zibing Yu, Yihong Gao, Yuan Lin, Yangxin Wang, Cheng Zhang, Zhuo Yin, Jing Wang, Sihao Deng, Jie Chen, Lunhua He, Tianjiao Liang, Jirong Sun, Tongyun Zhao, Baogen Shen
Spin structure of a magnetic system results from the competition of various exchange couplings. Pressure driven spin structure evolution, through altering interatomic distance and hence electronic structure, produces baromagnetic effect(BME), which has

A Controlled Vocabulary and Metadata Schema for Materials Science Data Discovery

April 29, 2021
Author(s)
Andrea M. Medina-Smith, Chandler Becker, Raymond L. Plante, Laura Bartolo, Alden A. Dima, James A. Warren, Robert Hanisch
The International Materials Resource Registries (IMRR) working group of the Research Data Alliance (RDA) was created to spur initial development of a federated registry system to allow for easier discovery and access to materials data. As part of this

Catalyst Enabled in Situ Linkage Reduction in Imine Covalent Organic Frameworks

April 29, 2021
Author(s)
Jiyun Hu, Federica Zanca, Gregory McManus, Isabella Riha, Huong Giang Nguyen, William Shirley, Collin Borcik, Benjamin Wylie, Mourad Benamara, Roger van Zee, Peyman Moghadam, M. Hassan Beyzavi
New linkages for covalent organic frameworks (COFs) have been continuously pursued by chemists as it serves as the structure and property foundation for the materials. Developing new reaction types or modifying known linkages have been the only two methods

Ambient-Temperature Hydrogen Storage via Vanadium(II)-Dihydrogen Complexation in a Metal-Organic Framework

April 28, 2021
Author(s)
David Jaramillo, Henry Jiang, Hayden Evans, Romit Chakraborty, Hiroyasu Furukawa, Craig Brown, Martin Head-Gordon, Jeffrey Long
The widespread implementation of H 2 as a fuel is currently hindered by the high pressures or cryogenic temperatures required to achieve reasonable storage densities. In contrast, the realization of materials that strongly and reversibly adsorb hydrogen at

Enhancing Superconductivity of Lu 5 Rh 6 Sn 18 by Atomic Disorder

April 19, 2021
Author(s)
A. Slebarski, M. Fijalkowski, M. M. Maska, J. Deniszczyk, P. Zajdel, Benjamin Trump, A. Yakovenko
For the number of skutterudite-related cage compounds such as cubic R 3M 4Sn 13 (R = Ca or La, M = transition d-electron metal) or tetragonal Y 5Rh 6Sn 18 we have previously reported the impact of various atomic defects in the crystal lattices on the
Displaying 451 - 475 of 2122