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Materials

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Displaying 526 - 550 of 2343

Computational Design of Helical Peptide Bundle Variants Spanning a Wide Range of Charge States

March 1, 2022
Author(s)
Jeffrey Fagan, Nairiti Sinha, rui gui, Darrin Pochan, Grethe Vestergaard Jensen, Jeffery Saven, matthew Langenstein, Rajkumar Misra, Christopher Kloxin, yan tang
Peptides can be computationally designed and engineered to achieve various functionalities and structures. Herein computational design was used to identify a set of 17 peptides having a wide range of putative charge states but the same tetrameric coiled

The Structure of Lipids and Keratin in Adhesive Gecko Setae Determined by NEXAFS Imaging

March 1, 2022
Author(s)
Daniel Fischer, Cherno Jaye, Katinka R. Holler, Mette H. Rasmussen, Joe E. Baio, Stanislav N. Gorb, Tobias Weidner
Geckos have the astonishing ability to climb on vertical surfaces due to the adhesive properties of fibrous setae at the tips of their toe pads. While the adhesion mechanism principle, based on van-der-Waals interactions of myriads of spatula located at

In-situ Stress Measurements During CO Adsorption onto Pt

February 24, 2022
Author(s)
David Raciti, Gery R. Stafford, Kathleen Schwarz, John Vinson
The change in surface stress associated with the adsorption and oxidative stripping of carbon monoxide (CO) on (111)-textured Pt is examined using the wafer curvature method in 0.1 M KHCO3 electrolyte. The curvature of the Pt cantilever electrode was

Recent Advances and Applications of Deep Learning Methods in Materials Science

February 24, 2022
Author(s)
Kamal Choudhary, Brian DeCost, Chi Chen, Anubhav Jain, Francesca Tavazza, Ryan Cohn, Cheol WooPark, Alok Choudhary, Ankit Agrawal, Simon Billinge, Elizabeth Holm, ShyuePing Ong, Chris Wolverton
Deep learning (DL) is one of the fastest growing topics in materials data science, with rapidly emerging applications spanning atomistic, image-based, spectral, and textual data modalities. Deep learning allows analysis of unstructured data and automated

Pruning the Mechanical Impedance of Three-Dimensional Disordered Networks

February 21, 2022
Author(s)
Marcos Reyes-Martinez, Edwin Chan, Christopher Soles, Michael Riley, Endao Han, Nidhi Pashine, Kieran Murphy, Heinrich Jaeger, Sidney Nagel, Daniel Reid, Meng Shen, Juan J. de Pablo
Disordered networks, comprised of random arrangements of bonds and nodes, have emerged as materials with the unique ability for independent control over the shear and bulk moduli. Recent computational studies have demonstrated that an extremely high degree

Fiber-welded polyionic biocomposites using 1-alkyl-3-vinylimidazolium alkylphosphonate ionic liquids

February 20, 2022
Author(s)
David Durkin, Christian Hoffman, Anders Gulbrandson, Ethan Fessler, Robert Chung, Tyler Cosby, Paul C. Trulove, Ashlee Aiello, Jeremiah Woodcock
In this study, imidazolium-based polymerizable ionic liquids (Poly-ILs) are used to prepare novel polyionic biocomposites through Natural Fiber Welding. Two new Poly-ILs containing the 1-alkyl-3-vinylimidazolium cation and an alkylphosphonate anion were

KEY COMPARISON - Instrumented Charpy tests on low- and high-energy specimens

February 18, 2022
Author(s)
Enrico Lucon, Renato Reis Machado
This report describes a CIPM Key Comparison through the SIM/MWG-7 organization, concerning instrumented impact testing of low-energy (20 J) and high-energy (100 J) Charpy V-notch specimens. In this Comparison, various instrumented and non-instrumented data

Elucidating Cathode Degradation Mechanisms in NMC811/Graphite Cells Under Fast Charge Rates Using Operando Synchrotron Characterization

February 17, 2022
Author(s)
Cherno Jaye, Daniel A. Fischer, Calvin Quilty, Patrick West, Garrett Wheeler, Lisa Housel, Christoph Kern, Killian Tallman, Lu Ma, Steven Ehrlich, Kenneth Takeuchi, David Bock, Amy Marschilok, Esther Takeuchi
Li-ion batteries capable of extreme fast charging (XFC) are in demand to facilitate widespread EV adoption. While the impact of fast charge on the negative electrode has been studied, degradation of state-of-the-art LiNi0.8Mn0.1Co0.1O2 (NMC811) under XFC

Probing the non-classical dihydrogen ligand in OsClH3(PPh3)3 using X-ray and neutron diffraction, inelastic neutron scattering, and theoretical calculations

February 15, 2022
Author(s)
Carly Carter, Ryan Klein, Wei Zhou, Terrence J. Udovic, Craig Brown, Ting-Bin Wen, Thomas Cundari, Muhammed Yousufuddin
: Dihydrogen ligation to metal centers results in a wide range of metal-hydrogen interactions. Compounds containing non-classical dihydrogen ligands in which the H–H contacts are significantly longer than the 0.74 Å distance found in solid H2 are

A method to quantify composition, purity, and cross-link density of the polyamide active layer in reverse osmosis composite membranes using 13C cross-polarization magic angle spinning nuclear magnetic resonance spectroscopy

February 12, 2022
Author(s)
Ryan Nieuwendaal, Christopher Stafford, Jeff Wilbur
A method for harvesting and purifying the thin polyamide (PA) active layer from thin-film composite (TFC) reverse osmosis (RO) membranes was developed, enabling quantitative nuclear magnetic resonance (NMR) measurements of the composition and cross-linking

Intermediate spin pair relaxation through modulation of isotropic hyperfine interaction in frequency-swept spin-dependent recombination in 4H-SiC

February 7, 2022
Author(s)
James Ashton, Brian Manning, Stephen Moxim, Fedor Sharov, Patrick Lenahan, Jason Ryan
Electrically detected magnetic resonance (EDMR) measurements have been extended to sub-mT measurements through utilization of frequency sweeping of the oscillating magnetic field, where conventional electron paramagnetic resonance-based measurements

Detection of individual spin species via frequency-modulated charge pumping

February 2, 2022
Author(s)
James Ashton, Mark Anders, Jason Ryan
We utilize the recently developed frequency-modulated charge pumping technique to detect a single charge per cycle, which strongly suggests a single Si/SiO2 interface trap. This demonstration in sub-micron MOSFETs, in which scaling of the gate oxide yields

Dynamically Preferred State with Strong Electronic Fluctuations from Electrochemical Synthesis of Sodium Manganate

February 2, 2022
Author(s)
Xi Chen, Yichao Wang, Yiping Wang, Rebecca Dally, Kamila Wiaderek, Tianyu Qiao, Jue Liu, Enyuan Hu, Kenneth Burch, Jeffrey W. Lynn, Xin Li
Electrochemical (de-)intercalation is a delicate method to precisely control the alkaline ion composition in alkaline transition metal oxides. Due to the interactions among alkaline ions, and with metal oxide layers, alkaline and transition metal charge
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