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Mary Kathleen O'Brien, Enrico Lucon, Donald Williamson, Kip Findley
Hydrogen-induced cracking (HIC) occurs in pipeline steels used in oil and gas applications that are rich in hydrogen sulfide gas also known as sour-service environments. In this study, an experimental X65 steel was produced by intercritically finish
Hans-Henrik Konig, Niklas Hollander Pettersson, A Durga, Steven Van Petegem, Daniel Grolimund, Qilin Guo, Chihpin Chuang, lianyi Chen, Christos Oikonomou, Fan Zhang, Greta Lindwall
Solidification during fusion-based additive manufacturing (AM) is characterized by high solidification velocities and high thermal gradients, two factors that control the solidification mode of AM metals and alloys. Using two synchrotron-based, in situ
Jeremiah Woodcock, Stephan J. Stranick, Anthony Kotula, Gale A. Holmes
The strategic integration of a rhodamine-spirolactam (RS) mechanophore into a transparent bis-epoxide/bis-epoxide/amine and corresponding bis-epoxide/amine networks has revealed, for the first time using fluorescence lifetime imaging microscopy (FLIM)
Ramya Gurunathan, Kamal Choudhary, Francesca Tavazza
The phonon density-of-states (DOS) summarizes the lattice vibrational modes supported by a structure, and gives access to rich information about the material's stability, thermodynamic constants, and thermal transport coefficients. Here, we present an
Keiichiro Maegawa, Fan Zhang, Qiaxian Johnson, Mihaela Jitianu, Tan Wai Kian, Go Kawamura, Atsunori Matsuda, Andrei Jitianu
Layered double hydroxides (LDHs) are mixed M(II) and M(III) hydroxides with positively charged lamellar brucite layers and interlayered anions. LDHs attracted significant attention due to their anion and cation-exchange ability, adsorption capacity, and
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
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
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
Recent advances in first principles calculations and machine learning techniques allow a systematic search for phonon-mediated superconductors. We develop a multi-step workflow for the discovery of conventional superconductors, starting with a Bardeen
Ryo Akasaka, Marcia L. Huber, Luke Simoni, Eric W. Lemmon
This work presents a fundamental equation of state for the thermodynamic properties of R-1336mzz(E). The equation of state is expressed explicitly in the Helmholtz energy with temperature and density as the independent variables, and is based on
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
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
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
Daniel Wines, Kamal Choudhary, Adam Biacchi, Kevin Garrity, Francesca Tavazza
High-throughput density functional theory (DFT) calculations allow for a systematic search for conventional Bardeen–Cooper–Schrieffer (BCS) superconductors. With the recent interest in two-dimensional (2D) superconductors, we extend our previously
Atasi Dan, Erica Freire Antunes, Chris Yung, Nathan Tomlin, Michelle Stephens, John H. Lehman
Uncooled microbolometer arrays incorporating vertically aligned carbon nanotube absorbers are increasingly being adopted in satellite instrumentation for monitoring the Earth's radiation budget. A key requirement for such microbolometers is a thermistor
Sofia Sotiriadou, Eleftheria Ntonti, Danai Velliadou, Konstantinos D. Antoniadis, Marc Assael, Marcia L. Huber
We present a wide-ranging correlation expressed in terms of temperature and density for the viscosity of ethanol based on critically evaluated experimental data. The correlation is designed to be used with an existing equation of state from the triple
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
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