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Materials

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Displaying 926 - 950 of 2343

Energy Renormalization for Coarse-Graining Polymers Having Different Segmental Structures

April 19, 2019
Author(s)
Jack F. Douglas, Wenjie Xia, Nitin K. Hansoge, Wen-Sheng Xu, Sinan Keten, Frederick R. Phelan Jr.
We apply the recently developed energy renormalization (ER) method to coarse-graining representative polymer melts having a relatively low, intermediate and high degree of glass fragility, i.e., polybutadiene, polystyrene, and polycarbonate, respectively

Advancing and Accelerating Materials Innovation: New Frontiers for the Materials Genome Initiative

April 5, 2019
Author(s)
Juan J. DePablo, Nicholas E. Jackson, Michael Webb, Long-Qing Chen, Joel Moore, Dane Morgan, Tresa M. Pollock, Darrell G. Schlom, Eric Toberer, James Analytis, Ismalia Dabo, Dean DeLongchamp, Fiete Gregory, Gregory Grason, Geoffroy Hautier, Yifei Mo, Krishna Rajan, Evan Reed, Efrain E. Rodriguez, Vladan Stevanovic, Jin Suntivich, Katsuo Thornton, Ji-Cheng Zhao
The Materials Genome Initiative (MGI) advanced a new paradigm for materials discovery, namely that the pace of materials discovery could be accelerated via complementary efforts in theory, computation, and experiment. Along with numerous successes, new

Probing the Participation of Oxygen Redox in the Electrochemical Cycling of Li-Rich Li2IrO3

March 25, 2019
Author(s)
Eric L. Shirley, John T. Vinson, Liang Li, Maria K. Chan, Joong S. Park, Eungje Lee, John W. Freeland, Zhenpeng Yao, Fernando Castro, Timothy T. Fister, Christopher M. Wolverton, Michael Thackeray
To exploit extra capacity beyond the traditionally postulated transition metal redox in Li-ion batteries, it is imperative to understand the exact role of oxygen in the charge compensation, i.e., what triggers the electron occupation change in oxygen and

Microporous Metal-Organic Framework with Dual Functionalities for Efficient Separation of Acetylene from Light Hydrocarbon Mixtures

March 14, 2019
Author(s)
Hao Li, Libo Li, Rui-Biao Lin, Giorgio Ramirez, Wei Zhou, Rajamani Krishna, Zhangjing Zhang, Shengchang Xiang, Banglin Chen
Separating acetylene from light hydrocarbon mixtures like ethylene is a very important process for downstream industrial applications. Herein, we report a new MOF [CuL 2(SiF 6)](UTSA-220, L = 1E,2E)-1,2-bis(pyridin-4-ylmethylene)hydrazine) with dual

Pore Space Partition within a Metal-Organic Framework for Highly Efficient C 2 H 2 /CO 2 Separation

March 14, 2019
Author(s)
Yingxiang Ye, Zhenlin Ma, Rui-Biao Lin, Rajamani Krishna, Wei Zhou, Quanjie Lin, Zhangjing Zhang, Shengchang Xiang, Banglin Chen
The pore space partition (PSP) approach has been employed to realize a novel porous MOF (FJU-90) with dual functionalities for the challenging C 2H 2/CO 2 separation under ambient conditions. By virtue of a triangular ligand (Tripp = 2,4,6-tris-(4-pyridyl

ELECTRON ENERGY-LOSS SPECTROSCOPY AND IMAGING

March 12, 2019
Author(s)
Vladimir P. Oleshko
This article describes electron energy-loss spectroscopy (EELS), energy-filtering transmission electron microscopy (EFTEM) and electron spectroscopic diffraction (ESD) in a transmission electron microscope (TEM) or in a scanning transmission electron

Hydrogen Isotope Effect in Embrittlement and Fatigue Crack Growth of Steel

March 7, 2019
Author(s)
Matthew J. Connolly, Andrew J. Slifka, Robert L. Amaro, Elizabeth S. Drexler, May L. Martin
The corrosive effect of hydrogen on steel is a long-standing problem. Corrosion in the presence of hydrogen is, in part, a consequence of the fast diffusion of hydrogen in ferritic steels. Because of the identical chemical properties but large differences

Structural basis of CO2 adsorption in a flexible metal organic framework material

March 4, 2019
Author(s)
Andrew J. Allen, Winnie K. Wong-Ng, Eric J. Cockayne, Jeffrey T. Culp, Christopher Matranga
This paper reports the structural basis of CO2 adsorption in a representative model flexible metal organic framework (MOF) material, Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4] (NiBpene or PICNIC-60). NiBpene exhibits a CO2 sorption isotherm with

A Metal-Organic Framework with Suitable Pore Size and Dual Functionalities for Highly Efficient Post-Combustion CO 2 Capture

February 21, 2019
Author(s)
Hui-Men Wen, Caijun Liao, Libo Li, Ali Alsalme, Zeid Alothman, Rajamani Krishna, Hui Wu, Wei Zhou, Jun Hu, Banglin Chen
Capturing carbon dioxide (Co 2) from flue gases with porous materials has been considered as a viable alternative technology to replace the traditional liquid amine adsorbents. A large number of microporous metal-organic frameworks (MOFs) have been

Monitoring Fast, Voxel-Scale Cure Kinetics via Sample-Coupled-Resonance Photorheology

February 13, 2019
Author(s)
Callie I. Higgins, Lewis M. Cox, Frank W. DelRio, Jason P. Killgore
Photopolymerizable materials are the focus of extensive research across a variety of fields ranging from additive manufacturing to regenerative medicine. However, poorly understood material mechanical and rheological properties during polymerization at the

Dynamics of Hydride Ions in Metal Hydride-Reduced BaTiO 3 Samples Investigated with Quasielastic Neutron Scattering

January 31, 2019
Author(s)
Carin Eklof-Osterberg, Reji Nedumkandathil, Ulrich Haussermann, Aleksander Jaworski, Andrew J. Pell, Madhu Sudan Tyagi, Niina H. Jalarvo, Bernhard Frick, Antonio Faraone, Maths Karlsson
Perovskite-type oxyhydrides, BaTiO 3-xH^ x, have been recently shown to exhibit hydride ion (H -) conductivity at elevated temperatures, but the underlying mechanism of hydride ion conduction and how it depends on temperature and oxygen vacancy

Understanding Material Characteristics through Signature Traits from He Pycnometry

January 30, 2019
Author(s)
Huong Giang T. Nguyen, Jarod C. Horn, Matthew Bleakney, Daniel W. Siderius, Laura Espinal
Although helium pycnometry is generally the method of choice for skeletal density measurements of porous materials, few studies have provided a wide range of case studies that demonstrate how to best interpret raw data and perform measurements using it
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