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Materials

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Displaying 376 - 400 of 2363

Unified graph neural network force-field for the periodic table: solid state applications

February 23, 2023
Author(s)
Kamal Choudhary, Brian DeCost, Lily Major, Keith Butler, Jeyan Thiyagalingam, Francesca Tavazza
Classical force fields (FFs) based on machine learning (ML) methods show great potential for large scale simulations of solids. MLFFs have hitherto largely been designed and fitted for specific systems and are not usually transferable to chemistries beyond

Solvent Transport Model for Polyamide Nanofilm Membranes Based on Accurate Hansen Solubility Parameters

February 21, 2023
Author(s)
Min Gyu Shin, Wansuk Choi, June Huh, William Mulhearn, Jung Sun Hwang, Christopher Stafford, Jeong F Kim, Jung Hyun Lee
Polyamide (PA) nanofilm membranes for solvent filtration are widely used in various industries. However, reliable models that can describe solvent transport in PA membranes have yet to be developed owing to measurement challenges associated with the highly

Thermal and Electronic Properties of Ba2MnSe3

February 15, 2023
Author(s)
Adam Biacchi, Oluwagbemiga Ojo, Wilarachchige Gunatilleke, George Nolas
The structural, thermal, and electronic properties of Ba2MnSe3 were investigated. Analysis of the low-temperature heat capacity revealed a low Debye temperature and a low average speed of sound that, together with the bonding in this material, result in a

Nondestructive quantification of single crystal elasticity for additively manufactured SB-CoNi-10C, IN625, and Ti64

February 2, 2023
Author(s)
Jeff Rossin, Patrick Leser, Jake Benzing, Chris Torbet, Peter Dillon, Stephen Smith, Samantha Daly, Tresa Pollock
Resonant ultrasound spectroscopy (RUS) is capable of determining the single crystal elastic constants from polycrystalline specimens with known crystallographic texture. However, the calculated single crystal elastic constants vary with the measured

A Non-Intrusive Fluorescent Pattern for Internal Microscale Strain Measurements Using Digital Image Correlation

February 1, 2023
Author(s)
Ami Ahure Powell, William Mulhearn, Shawn Chen, Stephan J. Stranick, Jeffrey Gilman, Mark Iadicola, Jeremiah Woodcock
A non-intrusive and non-disruptive internal fluorescent pattern is designed, developed, and tested using digital image correlation (DIC), an effective non-contact optical method, to measure deformation at internal planes of a polymer matrix material. The

Dynamic structural and microstructural responses of a metal organic framework type material to carbon dioxide under dual gas flow and supercritical conditions

February 1, 2023
Author(s)
Andrew J. Allen, Eric J. Cockayne, Winnie Wong-Ng, Jeffrey Culp, Ivan Kuzmenko
The structural and microstructural responses of a model metal-organic framework (MOF) material, Ni(3-Methy-4,4'-bipyridine)[Ni(CN)4] (Ni-BpyMe or PICNIC 21), to CO2 adsorption and desorption are reported for in situ small-angle X-ray scattering (SAXS) and

Facile Polymerization in a Bicellar Template to Produce Polymer Nano-Rings

January 15, 2023
Author(s)
Chung-Hao Liu, Catherine Cheu, John Barker, Lin Yang, Mu-Ping Nieh
Hypothesis: A well-defined discoidal bicelle composed of three lipids, specifically zwitterionic long-chain 1,2-dipalmitoyl phosphocholine (DPPC) and short-chain 1,2-dihexanoyl phosphocholine (DHPC) doped with anionic 1,2-dipalmitoyl phosphoglycerol (DPPG)

3D Asymmetric Bilayer Garnet-Hybridized High-Energy-Density Lithium-Sulfur Batteries

January 11, 2023
Author(s)
Changmin Shi, Tanner Hamann, Saya Takeuchi, George Alexander, Adelaide M. Nolan, Matthew Limpert, Zhezhen Fu, Jonathan O'Neill, Griffin Godbey, Joseph A. Dura, Eric Wachsman
Lithium garnet Li 7La 3Zr 2O 12 (LLZO) with high ionic conductivity and chemical stability against a Li metal anode is considered one of the most promising solid electrolytes for lithium-sulfur batteries. However, an infinite charge time resulting in low

Hydration of a side-chain-free n-type ladder semiconducting polymer driven by electrochemical doping

January 11, 2023
Author(s)
Jiajie Guo, Lucas Flagg, Duyen Tran, Shinya Chen, Ruipeng Li, Nagesh Kolhe, Rajiv Giridharagopal, Samson A. Jenekhe, Lee J. Richter, David Ginger
We study the organic electrochemical transistor (OECTs) performance of the ladder polymer, poly(benzimidazobenzophenanthroline) (BBL) in an attempt to better understand how an apparently insoluble side-chain free polymer is able to operate as an OECT with

Micro- and Nanoscale Surface Analysis of Late Iron Age Glass from Broborg, a Vitrified Swedish Hillfort

January 11, 2023
Author(s)
Bethany Matthews, James Neeway, Lorena Nava Farias, Jose Marcial, Bruce Arey, Jennifer Soltis, LiBor Kovarik, Zihua Zhu, Michael Schweiger, Nathan Canfield, Tamas Varga, Mark Bowden, Jamie Weaver, John McCloy, Rolf Sjoblom, Eva Hjarthner-Holdar, Mia Englund, Erik Ogenhall, Edward Vicenzi, Claire Corkhill, Clare Thorpe, Russell Hand, David Peeler, Carolyn Pearce, Albert Kruger
Archaeological glasses with prolonged exposure to biogeochemical processes in the environment can be used to understand glass alteration, which is important for the safe disposal of vitrified nuclear waste. Samples of mafic and felsic glasses with

All-Temperature Zinc Batteries with High-Entropy Aqueous Electrolyte

January 9, 2023
Author(s)
Chongyin Yang, Jiale Xia, Chunyu Cui, Travis P. Pollard, Jenel Vatamanu, Antonio Faraone, Joseph Dura, Madhu Sudan N. Tyagi, Alex Kattan, Elijah Thimsen, Jijian Xu, Wentao Song, Enyuan Hu, Xiao Ji, Singyuk Hou, Xiyue Zhang, Michael S. Ding, Sooyeon Hwang, Dong Su, Yang Ren, Xiao-Qing Yang, Howard Wang, Oleg Borodin, Chunsheng Wang
Solvent-in-salt electrolytes have revolutionized both aqueous and non-aqueous batteries by extending the electrochemical stability window 1,2,3 and enabling new battery chemisties 4-6. However, the presence of both anions and solvent in the cation

Rheology and Dynamics of a Solvent Segregation Driven Gel (SeedGel)

January 4, 2023
Author(s)
Yuyin Xi, Ryan Murphy, Qingteng Zhang, Aurora Zemborain, Suresh Narayanan, Junsu Chae, Siyoung Choi, Andrei Fluerasu, Lutz Wiegart, Yun Liu
Bicontinuous structures promise applications in a broad range of research fields, such as energy storage, membrane science, and biomaterials. Kinetically arrested spinodal decomposition is found responsible for stabilizing such structures in different

Measuring Dimensionality of Cell-Scaffold Contacts of Primary Human Bone Marrow Stromal Cells Cultured on Electrospun Fiber Scaffolds

January 1, 2023
Author(s)
Carl Simon Jr., Peter Bajcsy, Joe Chalfoun, Michael Paul Majurski, Mary C. Brady, Mylene Simon, Nathan Hotaling, Nick Schaub, Allison Horenberg, Piotr Szczypinski, Dongbo Wang, Veronica DeFelice, Soweon Yoon, Stephanie Florczyk
The properties and structure of the cellular microenvironment can influence cell behavior. Sites of cell adhesion to the extracellular matrix (ECM) initiate intracellular signaling that direct cell functions such as proliferation, differentiation and

Vertical Inhomogeneous Magnetic Order in FeRh Film

December 31, 2022
Author(s)
Sehwan Song, Jiwoong Kim, Jisung Lee, Hyegyeong Kim, Noboru Miyata, Neeraj Kumar, Y. Soh, Jae H. Jang, Chanyong Hwang, Brian Kirby, Sungkyun Park
FeRh films, known as antiferromagnetic material at low temperature, exhibit unexpected ferromagnetic (FM) characteristics, unlike bulk. Detailed temperature-dependent physical properties of FeRh film are examined to elucidate the causes. Temperature

Mechanism of Bismuth Stimulated Bottom-up Gold Feature Filling

December 30, 2022
Author(s)
Daniel Josell, Trevor Braun, Thomas P. Moffat
The mechanism that underlies 〖Bi〗^(3+)-stimulated extreme bottom-up Au filling of trenches and vias in slightly alkaline 〖Na〗_3 Au(〖SO〗_3 )_2+〖Na〗_2 〖SO〗_3 electrolytes is explored. The remarkable void-free feature filling and self-passivation behavior

Strain and Charge Contributions to the Magnetoelectric Coupling in Fe 3 O 4 /PMN-PT Artificial Multiferroic Heterostructures

December 30, 2022
Author(s)
Patrick Schoffmann, Anirban Sarkar, Mai H. Hamed, Tanvi Bhatnagar-Schoffmann, Sabine Putter, Brian Kirby, Alexander Grutter, Juri Barthel, Emmanuel Kentzinger, Annika Stellhorn, Andrei Gloskovskii, Martina Muller, Thomas Bruckel
The quest to realize new kinds of data storage devices has motivated recent studies in the field of magnetoelectric heterostructures. One of the most commonly investigated systems is Fe 3O 4/PMN-PT, however, the interplay between different coupling
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