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Real-space local self-motion of protonated and deuterated water

Journal Article · · Physical Review. E
 [1];  [2];  [3];  [4];  [5];  [1];  [6];  [6];  [7]
  1. Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
  2. Oita Univ. (Japan)
  3. Fukuoka Inst. of Technology (Japan)
  4. Univ. of Tennessee, Knoxville, TN (United States)
  5. Univ. of Tennessee, Knoxville, TN (United States); Hongik Univ., Seoul (Korea, Republic of)
  6. RIKEN SPring-8 Center, Sayo (Japan); Japan Synchrotron Radiation Research Institute, Sayo, Hyogo (Japan)
  7. Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
+ Show Author Affiliations
Here, we report on the self-part of the Van Hove correlation function, the correlation function describing the dynamics of a single molecule, of water and deuterated water. The correlation function is determined by transforming inelastic scattering spectra of neutrons or x rays over a wide range of momentum transfer Q and energy transfer E to space R and time t. The short-range diffusivity is estimated from the Van Hove correlation function in the framework of the Gaussian approximation. The diffusivity has been found to be different from the long-range macroscopic diffusivity, providing information about local atomic dynamics.
Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
2376358
Alternate ID(s):
OSTI ID: 2474695
Journal Information:
Physical Review. E, Journal Name: Physical Review. E Journal Issue: 6 Vol. 109; ISSN 2470-0045
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

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Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY