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Title: Principle Vibrational Modes - a New Tool to Visualize the Essence of How Atoms Move in Materials

Abstract

No abstract provided.

Authors:
ORCiD logo [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1410630
Report Number(s):
LA-UR-17-30742
DOE Contract Number:
AC52-06NA25396
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats

Rudin, Sven Peter. Principle Vibrational Modes - a New Tool to Visualize the Essence of How Atoms Move in Materials. United States: N. p., 2017. Web. doi:10.2172/1410630.
Rudin, Sven Peter. Principle Vibrational Modes - a New Tool to Visualize the Essence of How Atoms Move in Materials. United States. doi:10.2172/1410630.
Rudin, Sven Peter. 2017. "Principle Vibrational Modes - a New Tool to Visualize the Essence of How Atoms Move in Materials". United States. doi:10.2172/1410630. https://www.osti.gov/servlets/purl/1410630.
@article{osti_1410630,
title = {Principle Vibrational Modes - a New Tool to Visualize the Essence of How Atoms Move in Materials},
author = {Rudin, Sven Peter},
abstractNote = {No abstract provided.},
doi = {10.2172/1410630},
journal = {},
number = ,
volume = ,
place = {United States},
year = 2017,
month =
}

Technical Report:

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  • A task force was commissioned in the Spring of Fiscal Year (FY) 1988 to develop a detailed plan for moving the fuel and test article fabrication capabilities from the 308 Building to the Fuels and Materials Examination Facility (FMEF) Fuel Assembly Area (FAA). This report presents that plan. Appendix A lists the task force membership.
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  • A harmonic picture of the vibrations of water adsorbed on Pd(100) is presented. The shift of the water-bending mode (against the surface plane) upon deuteration is well described by this purely harmonic picture. Normal-mode calculations in which the Pd(100) substrate is described by a finite cluster of 66 atoms were used to study the sensitivity of the isotope shift of the bending-mode frequency to the bonding site. The on-top and two-fold bridge sites are consistent with experimental results whereas the four-fold hollow site is not.
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