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Displaying 1951 - 1975 of 7108

Unsupervised phase mapping of X-ray diffraction data by nonnegative matrix factorization integrated with custom clustering

August 6, 2018
Author(s)
Valentin Stanev, Velimir Vesselinov, Aaron Gilad Kusne, Graham Antoszewski, Ichiro Takeuchi, Boian Alexandrov
Analyzing large X-ray diffraction (XRD) datasets is a key step in high-throughput mapping of the compositional phase diagrams of combinatorial materials libraries. Optimizing and automating this task can help accelerate the process of discovery of

Machine learning modeling of superconducting critical temperature

June 28, 2018
Author(s)
Aaron Gilad Kusne, Valentin Stanev, Ichiro Takeuchi
Superconductivity has been the focus of enormous research effort since its discovery more than a century ago. Yet, some features of this unique phenomenon remain poorly understood; prime among these is the connection between superconductivity and chemical

Surviving Unpatchable Vulnerabilities through Multi-Option Network Hardening

March 23, 2018
Author(s)
Daniel Borbor, Lingyu Wang, Sushil Jajodia, Anoop Singhal
The administrators of a mission critical network usually have to worry about non-traditional threats, e.g., how to live with known, but unpatchable vulnerabilities,and how to improve the network's resilience against potentially unknown vulnerabilities. To

Towards reliable RRAM performance: macro- and microscopic analysis of operation processes

November 9, 2017
Author(s)
Gennadi Bersuker, Dmitry Veksler, David M. Nminibapiel, Pragya Shrestha, Jason Campbell, Jason Ryan, Helmut Baumgart, Maribeth Mason, Kin P. Cheung
Resistive RAM technology promises superior performance and scalability while employing well- developed fabrication processes. Conductance is strongly affected by structural changes in oxide insulators that make cell switching properties extremely sensitive

Vacancy Dissociation in BCC Screw Dislocation Cores

July 1, 2017
Author(s)
Lucas M. Hale, Yuri Mishin, Chandler A. Becker
The interaction between screw dislocations and vacancies in body-centered cubic metals is investigated using molecular dynamics simulations. For thirteen different classical interatomic potentials, materials properties relating to vacancies, dislocations

Randomness in nonlocal games between mistrustful players

June 15, 2017
Author(s)
Carl A. Miller, Yaoyun Shi
If two quantum players at a nonlocal game G achieve a superclassical score, then their measurement outcomes must be at least partially random from the perspective of any third player. This is the basis for device-independent quantum cryptography. In this

Glass forming liquids and polymers: what we learn from statistical physics

February 19, 2017
Author(s)
S C. Glotzer, Y Gebremichael, N Lacevic, T B. Schroder, Francis W. Starr
We describe the application of statistical mechanical framework, originally developed to describe critical phenonema, to the problem of dynamic criticality associated with the glass transition of various materials.

DBSR_HF: A B-spline Dirac-Hartree-Fock program

January 8, 2016
Author(s)
O Zatsarinny, Charlotte F. Fischer
A B-spline version of a general Dirac-Hartree-Fock program is described. The usual differential equations are replaced by set of generalized eigenvalue problems of the form (Ha . åa B)Pa = 0, where Pa designates the two-component relativistic orbital in B

Large-scale core-level Bethe-Salpeter equation calculations

August 31, 2015
Author(s)
Keith Gilmore, John Vinson, Eric L. Shirley, David Prendergast, Chaitanya D. Pemmaraju, Josh J. Kas, John J. Rehr, Fernando D. Vila
We present an efficient implementation of the Bethe-Salpeter equation (BSE) method for obtaining core-level spectra including x-ray absorption (XAS), x-ray emission (XES), and both resonant and non-resonant inelastic x-ray scattering spectra (N/RIXS)

A Framework to Canonicalize Manufacturing Service Capability Models

May 15, 2015
Author(s)
Boonserm Kulvatunyou, Yunsu Lee, Nenad Ivezic, Yun Peng
The ability to share precise models of suppliers’ manufacturing service capability (MSC) information is necessary to develop reliable methods that enable Original Equipment Manufacturers (OEMs) to efficiently configure agile and responsive supply chains

Detection and characterization of nonspecific, sparsely-populated binding modes for conformational selection in the early stages of complexation

March 18, 2015
Author(s)
Antonio Cardone, Aaron Bornstein, Harish C. Pant, Mary C. Brady, Ram D. Sriram, Sergio Hassan
A method is proposed to study protein-ligand binding in a system governed by specific and non-specific interactions. Strong associations lead to narrow conformational distributions in the proteins configuration space; weak and ultra-weak associations lead
Displaying 1951 - 1975 of 7108
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