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Search Publications

NIST Authors in Bold

Displaying 6851 - 6875 of 73829

Charge-transfer satellites in the photoemission and x-ray absorption spectra of SrTiO3 and TiO2: Experiment and first-principles theory

March 10, 2021
Author(s)
Eric L. Shirley, Joseph Woicik, Cherno Jaye, Daniel A. Fischer, Abdul K. Rumaiz, Joshua J. Kas, John J. Rehr, Conan Weiland
Complete ab initio real-time cumulant and Bethe-Salpeter-equation calculations accurately capture the detailed satellite structure observed in both the photoemission and x-ray absorption spectra of the transition-metal compounds SrTiO3 and TiO2. Real-space

Core-hole processes in photoemission and x-ray absorption by resonant-Auger electron spectroscopy and first-principles theory

March 10, 2021
Author(s)
Eric L. Shirley, Joseph Woicik, Conan Weiland, James M. Ablett, Abdul K. Rumaiz, Michael T. Brumbach, Joshua J. Kas, John J. Rehr
The electron-core-hole interaction is critical for proper interpretation of core-level spectroscopies commonly used as structural tools in materials' science. Resonant Auger- electron spectroscopy can uniquely identify exciton, shake, and charge-transfer

The OCEAN Project

March 10, 2021
Author(s)
Eric L. Shirley, John T. Vinson, Keith Gilmore
This chapter presents a high-level description of a suite of programs denoted by the acronym OCEAN (Obtaining Core Excitation spectra ab initio and with NBSE), where NBSE denotes the underlying NIST Bethe-Salpeter Equation program. The main computational

Broadband thermomechanically limited sensing with an optomechanical accelerometer

March 9, 2021
Author(s)
Feng Zhou, Yiliang Bao, Ramgopal Madugani, David Long, Jason J. Gorman, Thomas W. LeBrun
Cavity optomechanics has enabled precision measurements with unprecedented levels of sensitivity, including the detection of attonewton forces, nanoparticles, magnetic fields, and gravitational waves. In most cases, detection is performed in a narrow

Hydration of Hydrophilic Cloth Facial Coverings Greatly Increases the Filtration Properties for Nanometer and Micrometer-sized Particles

March 8, 2021
Author(s)
Christopher Zangmeister, James Radney, Matthew Staymates, Edward P. Vicenzi, Jamie Weaver
Filtration efficiencies (FE) of natural, synthetic, and blended fabrics were measured as a function of relative humidity (RH) for particles with mobility diameters between 50 nm and 825 nm. Fabrics were equilibrated at 99 % RH, mimicking conditions

Origin of Magnetovolume Effect in a Cobaltite

March 8, 2021
Author(s)
Ping Miao, Zhijian Tan, Sanghyun Lee, Yoshihisa Ishikawa, Shuki Torii, Masao Yonemura, Akihiro Koda, Kazuki Komatsu, Shinichi Machida, Asami Sano-Furukawa, Takanori Hattori, Xiaohuan Lin, Kuo Li, Takashi Mochiku, Ryosuke Kikuchi, Chizuru Kawashima, Hiroki Takahashi, Qingzhen Huang, Shinichi Itoh, Ryosuke Kadono, Yingxia Wang, Feng Pan, Kunihiko Yamauchi, Takashi Kamiyama

Path-integral calculation of the fourth virial coefficient of helium isotopes

March 8, 2021
Author(s)
Giovanni Garberoglio, Allan H. Harvey
We use the path-integral Monte Carlo (PIMC) method and state-of-the-art two-body and three-body potentials to calculate the fourth virial coefficient D(T) of 4He and 3He as a function of temperature from 2.6 K to 2000 K. We derive expressions for the

Towards Quantitative and Standardized Serological and Neutralization Assays for COVID-19

March 8, 2021
Author(s)
Linhua Tian, Elzafir B. Elsheikh, Paul Patrone, Anthony Kearsley, adolfas Gaigalas, Sarah L. Inwood, Sheng Lin-Gibson, Dominic Esposito, Lili Wang
Quantitative and robust serology assays are critical measurements underpinning global COVID-19 response to diagnostic, surveillance, and vaccine development. Here, we report a proof-of-concept approach for the development of quantitative, multiplexed flow

Synthesis, Structural and Sorption Characterization of a Hofmann Compound, Ni(3-Methy-4,4'-bipyridine)[Ni(CN)4]

March 6, 2021
Author(s)
Winnie Wong-Ng, Jeffrey T. Culp, Daniel Siderius, Yu-Sheng Chen, S. Y. G. Wang, Andrew J. Allen, Eric J. Cockayne
Crystal structure of the guest-free Ni(CN)4-based metal organic framework Ni(3-Methy-4,4'-bipyridine)[Ni(CN)4] (nicknamed Ni-BpyMe(A)), was determined to be orthorhombic, Pmma, a= 12.6025(4) Å, b=7.3324(3) Å, c=11.3095(4) Å, V=1045.07 (2) Å3 and Z=2

Single-cell measurement of plasmid copy number and promoter activity

March 5, 2021
Author(s)
Bin Shao, Jayan Rammohan, Daniel Anderson, Nina Alperovich, David J. Ross, Christopher Voigt
We have developed a method to simultaneously count plasmid DNA, RNA transcripts, and protein expression in single living bacteria. From these data, the activity of a promoter in units of RNAP/s can be inferred. This work facilitates the reporting of

Uncertainty Quantification of Atomistic (DFT and MD), Mesoscale (PFM) and Continuum (CALPHAD) Methods and the Impact on Thermodynamic Models of Metals: A Review

March 5, 2021
Author(s)
Gabriel Joshua, Noah Paulson, Thien Duong, Francesca Tavazza, Chandler Becker, Santanu Chaudhuri, Stan Marious
Design of improved metals relies on multi-scale computer simulations to provide thermodynamic properties when experiments are difficult to conduct. In particular, atomistic methods such as Density Functional Theory (DFT) and Molecular Dynamics (MD) have

From single-particle-like to interaction-mediated plasmonic resonances in graphene nanoantennas

March 4, 2021
Author(s)
Marvin M. Muller, Miriam Kosik, Marta Pelc, Garnett W. Bryant, Andres Ayuela, Carsten Rockstuhl, Karolina Slowik
Plasmonic nanostructures attract tremendous attention as they confine electromagnetic fields well below the diffraction limit while simultaneously sustaining extreme local field enhancements. To fully exploit these properties, the identification and

Comparative study of multiwall carbon nanotube nanocomposites by Raman, SEM, and XPS measurement techniques

March 3, 2021
Author(s)
Yanmei Piao, Vipin Tondare, Chelsea S. Davis, Justin Gorham, Elijah Petersen, Jeffrey W. Gilman, Keana Scott, Andras Vladar, Angela R. Hight Walker
Substantial ongoing research efforts are investigating the production of novel composite material enhanced by the incorporation of nanomaterial fillers such as multiwall carbon nanotubes (MWCNTs). While the addition of MWCNTs have been shown to improve the

Efficient and low-backaction measurement of a superconducting qubit

March 3, 2021
Author(s)
Eric Rosenthal, Christian M. Schneider, Maxime Malnou, Ziyi Zhao, Felix Leditzky, Benjamin Chapman, Waltraut Wustmann, Xizheng Ma, Daniel A. Palken, Leila R. Vale, Gene C. Hilton, Jiansong Gao, Graeme Smith, Gerhard Kirchmair, Konrad Lehnert
Displaying 6851 - 6875 of 73829
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