skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Structural Basis for Metastability in Amorphous Calcium Barium Carbonate (ACBC)

Authors:
 [1];  [2];  [1];  [3];  [2];  [1]
  1. Department of Materials Science and Engineering, Northwestern University, 2220 Campus Dr. Evanston Evanston IL 60208 USA
  2. Lawrence Berkeley National Laboratory, Building 33 Berkeley CA 94720 USA
  3. Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge MA 02139 USA
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Energy Frontier Research Centers (EFRC) (United States). Center for Next Generation of Materials by Design: Incorporating Metastability (CNGMD)
Sponsoring Org.:
NSFU.S. AIR FORCE- OFFICE OF SCIENTIFIC RESEARCH
OSTI Identifier:
1423367
Resource Type:
Journal Article
Journal Name:
Advanced Functional Materials
Additional Journal Information:
Journal Volume: 28; Journal Issue: 2; Journal ID: ISSN 1616-301X
Publisher:
Wiley
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Whittaker, Michael L., Sun, Wenhao, DeRocher, Karen A., Jayaraman, Saivenkataraman, Ceder, Gerbrand, and Joester, Derk. Structural Basis for Metastability in Amorphous Calcium Barium Carbonate (ACBC). United States: N. p., 2017. Web. doi:10.1002/adfm.201704202.
Whittaker, Michael L., Sun, Wenhao, DeRocher, Karen A., Jayaraman, Saivenkataraman, Ceder, Gerbrand, & Joester, Derk. Structural Basis for Metastability in Amorphous Calcium Barium Carbonate (ACBC). United States. doi:10.1002/adfm.201704202.
Whittaker, Michael L., Sun, Wenhao, DeRocher, Karen A., Jayaraman, Saivenkataraman, Ceder, Gerbrand, and Joester, Derk. Mon . "Structural Basis for Metastability in Amorphous Calcium Barium Carbonate (ACBC)". United States. doi:10.1002/adfm.201704202.
@article{osti_1423367,
title = {Structural Basis for Metastability in Amorphous Calcium Barium Carbonate (ACBC)},
author = {Whittaker, Michael L. and Sun, Wenhao and DeRocher, Karen A. and Jayaraman, Saivenkataraman and Ceder, Gerbrand and Joester, Derk},
abstractNote = {},
doi = {10.1002/adfm.201704202},
journal = {Advanced Functional Materials},
issn = {1616-301X},
number = 2,
volume = 28,
place = {United States},
year = {2017},
month = {11}
}

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


PDFgetX2: a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data
journal, July 2004

  • Qiu, Xiangyun; Thompson, Jeroen W.; Billinge, Simon J. L.
  • Journal of Applied Crystallography, Vol. 37, Issue 4, p. 678-678
  • DOI: 10.1107/S0021889804011744

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996