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

Title: Revisiting the revised Ag-Pt phase diagram

Journal Article · · Acta Materialia
ORCiD logo [1];  [1];  [1]; ORCiD logo [1];  [2];  [3];  [3];  [4]; ORCiD logo [5];  [6];  [7]
  1. Brigham Young Univ., Provo, UT (United States)
  2. Delft Univ. of Technology (Netherlands)
  3. Nelson Mandela Metropolitan University, Port Elizabeth, (South Africa)
  4. Univ. of Cape Town (South Africa)
  5. Macquarie Univ., NSW (Australia)
  6. Northwestern Univ., Evanston, IL (United States); Citrine Informatics, Redwood City, CA (United States)
  7. Northwestern Univ., Evanston, IL (United States)

Because of the important applications of platinum alloys and related platinum-group-metals phases, complete phase diagrams for these systems are important for materials engineering. The currently accepted phase diagram for the Ag-Pt system is questionable because of its disagreement with earlier experiments and because of its claim for a lone ordered structure at 53%-Pt which was not characterized and which contradicts both computational predictions and analogy to the isoelectronic system Cu-Pt. A complete re-examination of the Ag-Pt system by computational and experimental means suggests a phase diagram similar to the isoelectronic system Cu-Pt. The unknown compound, claimed to be 53%-Pt, is found to be the L11 structure at 50%-Pt.

Research Organization:
Northwestern Univ., Evanston, IL (United States)
Sponsoring Organization:
National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES); National Institute of Standards and Technology (NIST)
Grant/Contract Number:
FG02-07ER46433; 70NANB14H012; DEFG02-07ER46433
OSTI ID:
1533457
Alternate ID(s):
OSTI ID: 1398686
Journal Information:
Acta Materialia, Vol. 124, Issue C; ISSN 1359-6454
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 23 works
Citation information provided by
Web of Science

References (29)

The AFLOW standard for high-throughput materials science calculations journal October 2015
Metallographische Mitteilungen aus dem Institut für anorganische Chemie der Universität Göttingen über einige Platinlegierungen journal July 1907
Generalized Gradient Approximation Made Simple journal October 1996
Interatomic potential for accurate phonons and defects in UO2 journal March 2014
Evolutionary approach for determining first-principles hamiltonians journal April 2005
Monte Carlo simulations of the structure of Pt-based bimetallic nanoparticles journal July 2012
Generating derivative structures at a fixed concentration journal June 2012
Projector augmented-wave method journal December 1994
An improved interatomic potential for xenon in UO 2 : a combined density functional theory/genetic algorithm approach journal February 2014
Determination of the elastic tensor in low-symmetry structures journal July 1998
Theoretical investigation of bulk ordering and surface segregation in Ag-Pd and other isoelectornic alloys journal February 2007
Alloy models with the embedded-atom method journal June 1989
Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys journal September 2005
UNCLE: a code for constructing cluster expansions for arbitrary lattices with minimal user-input journal June 2009
Algorithm for generating derivative structures journal June 2008
First-Principles Predictions of Yet-Unobserved Ordered Structures in the Ag-Pd Phase Diagram journal September 2001
Generalized cluster description of multicomponent systems journal November 1984
The high-throughput highway to computational materials design journal February 2013
A revision of the binary system AgPt journal June 1996
AFLOW: An automatic framework for high-throughput materials discovery journal June 2012
A high-throughput infrastructure for density functional theory calculations journal June 2011
Force constants for substitutional alloys journal February 1999
Ab initio calculation of the phase stability in Au-Pd and Ag-Pt alloys journal May 2006
Ground-state characterizations of systems predicted to exhibit L 1 1 or L 1 3 crystal structures journal February 2012
The Ag-Pt (Silver-Platinum) system journal August 1987
Cluster expansion made easy with Bayesian compressive sensing journal October 2013
Generating derivative structures from multilattices: Algorithm and application to hcp alloys journal July 2009
A hybrid computational–experimental approach for automated crystal structure solution journal November 2012
Low-dimensional lattice basis reduction revisited journal October 2009

Cited By (4)

Effect of Atomic Ordering on the Activity for Methanol and Formic Acid Oxidation of Pt‐Based Electrocatalysts journal April 2019
Reversed size-dependent stabilization of ordered nanophases journal April 2019
Machine-learning the configurational energy of multicomponent crystalline solids journal November 2018
Automated crystal structure solution from powder diffraction data: Validation of the first-principles-assisted structure solution method journal November 2017