Wisconsin Discovery Portal

Researcher's Profile

Last Name


First Name


Middle Initial

Areas of Research Expertise

* Computational materials science for materials design
* Ab initio electronic structure methods and multiscale techniques for modeling of large time / length scales and thermodynamics
* Statistical and data mining techniques for materials property prediction
* Physics of nanoscale phenomena in ceramic and biochemical systems
* Application areas: battery and fuel cell electrodes, spin transition ceramics, crystal structure prediction, earth mantle materials, protein design

Web site

Dane Morgan's University Webpage 

Curriculum Vitae (CV)


Current/Active Funding

  • NSF, 2007-2012, Collaborative Research: New Characterization Approaches for Developing Structure-Sorption Relationships in Disordered Iron-Oxyhydroxide
  • Battelle Energy Alliance, 2009-2012, Ab initio Enhanced Calphad Modeling of Actinide Rich Nuclear Fuels
  • NSF, 2010-2013, Collaborative Research: Valence State of Iron in the Lower Mantle

Issued Patent(s)

  • 7,292,958 - Systems and methods for predicting materials properties, granted Nov 2007.

USPTO Published Applications

Recent Publication(s)

  • "Ab initio based rate theory model of radiation induced amorphization in beta-SiC"

Swaminathan N, Morgan D, Szlufarska I, Journal of Nuclear Materials 414(3): 431-439 Jul 2011. An ab initio informed rate theory framework for a multicomponent system is developed and used to model radiation induced amorphization in beta-SiC

  • "Assessment of radiation-induced segregation mechanisms in austenitic and ferritic-martensitic alloys"

Was GS, Wharry JP, Morgan D, et al., Journal of Nuclear Materials 411(1-3): 41-50 Apr 2011. Ab initio based modeling shows that the inverse Kirkendall mechanism for Cr in austenitic Ni-based systems is consistent with the observed Cr depletion, but that the result may be a balance of significant contributions from both vacancy and interstitial fluxes.

  • "Ab initio and thermodynamic modelling of alloying effects on activity of sacrificial aluminium anodes"

Sharma A, Zhang C, Chang YA, et al., Corrosion Science 53(5): 1724-1731 May 2011. This study then assesses the lattice expander theory, which states that lattice-expanding dopants can be used to increase Sn solubility in Al and thereby reduce passivation.

  • "Epitaxial Strain-Induced Chemical Ordering in La0.5Sr0.5CoO3-delta Films on SrTiO3"

Donner W, Chen CL, Liu M et al., Chemistry of Materials 23 (4): 984-988 Feb 2011. We investigate strained 40-nm films of perovskite La0.5Sr0.5CoO3-delta, which is an important material for solid oxide fuel cell cathodes and oxygen separation membranes.

Recent Artistic Works



  • Computational Materials Group
  • Materials Science Program
  • MIT, Materials Science and Engineering, Persson, Kristin

Research Tools


Research Facilities


E-mail Address


Phone Number

(608) 265-5879 

Current University

UW - Madison 


Materials Science and Engineering / Engineering Physics 


Assistant Professor 

Other Appointments


Address Line 1

1509 Materials Science and Engineering Building 

Address Line 2

1509 University Avenue 





Zip Code


Bachelor's Degree

BA, Swarthmore College, Physics, 1992

Master's Degree

MA, University of California- Berkeley, Physics, 1994


PhD, University of California-Berkeley, Physics, 1998

Other Degrees


Technologies Available for Licensing

Created at 6/29/2007 11:15 AM  by EXTWEB\mbrown 
Last modified at 11/4/2011 11:51 AM  by EXTWEB\rshea