Chemical evolution via beta decay: a case study in strontium-90

Superlattice Structure and Precipitates in O+ and Zr+ Ion Coimplanted SrTiO3: A Model Waste Form for 90Sr

(2012) W. Jiang et al.   Journal of Physical Chemistry C

Modelling the effects of electronic excitations in ionic-covalent materials

(2012) D.M. Duffy et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

Transmutation in90SrF2: A density functional theory study of phase stability in ZrF2

(2012) M. Sassi et al.   PHYSICAL REVIEW B

Systematic calculation of threshold displacement energies: Case study in rutile

(2012) M. Robinson et al.   PHYSICAL REVIEW B

Role of Antisite Disorder on Preamorphization Swelling in Titanate Pyrochlores

(2012) Y. H. Li et al.   PHYSICAL REVIEW LETTERS

Ion irradiation of novel yttrium/ytterbium-based pyrochlores: The effect of disorder

(2011) Karl R. Whittle et al.   ACTA MATERIALIA

Interstitial and substitutional zirconium in SrTiO3

(2011) John E. Jaffe et al.   COMPUTATIONAL MATERIALS SCIENCE

Defects and Minor Phases in O+ and Zr+ Ion Co-implanted SrTiO3

(2011) Weilin Jiang et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Design of shallow acceptors in ZnO through early transition metals codoped with N acceptors

(2011) X. M. Duan et al.   PHYSICAL REVIEW B

Ion-beam irradiation of lanthanum compounds in the systems La2O3–Al2O3 and La2O3–TiO2

(2010) Karl R. Whittle et al.   JOURNAL OF SOLID STATE CHEMISTRY

Implications of transmutation on the defect chemistry in crystalline waste forms

(2010) B.P. Uberuaga et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

SRIM – The stopping and range of ions in matter (2010)

(2010) James F. Ziegler et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

Radioparagenesis: The formation of novel compounds and crystalline structures via radioactive decay

(2010) Chao Jiang et al.   PHILOSOPHICAL MAGAZINE LETTERS

Structural isotope effects in metal hydrides and deuterides

(2010) Valeska P. Ting et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Using “radioparagenesis” to design robust nuclear waste forms

(2009) C. Jiang et al.   Energy & Environmental Science

Hydrogen dissociation and diffusion on transition metal (=Ti, Zr, V, Fe, Ru, Co, Rh, Ni, Pd, Cu, Ag)-doped Mg(0001) surfaces

(2009) M. Pozzo et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Predicting from first principles the chemical evolution of crystalline compounds due to radioactive decay: The case of the transformation of CsCl to BaCl

(2009) C. Jiang et al.   PHYSICAL REVIEW B

High-density strontium hydride: An experimental and theoretical study

(2009) Jesse S. Smith et al.   SOLID STATE COMMUNICATIONS

First-principles study of structural, elastic, electronic and optical properties of SrMO3 (M=Ti and Sn)

(2009) B. Ghebouli et al.   SOLID STATE COMMUNICATIONS

Hydrogen dissociation and diffusion on Ni- and Ti-doped Mg(0001) surfaces

(2008) M. Pozzo et al.   JOURNAL OF CHEMICAL PHYSICS

Adaptive kinetic Monte Carlo for first-principles accelerated dynamics

(2008) Lijun Xu et al.   JOURNAL OF CHEMICAL PHYSICS

Structural and Electronic Properties of Selected Rutile and Anatase TiO2Surfaces:  An ab Initio Investigation

(2008) Frédéric Labat et al.   Journal of Chemical Theory and Computation

The WITCH experiment: Acquiring the first recoil ion spectrum

(2008) V.Yu. Kozlov et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

Interatomic potentials for strontium titanate: An assessment of their transferability and comparison with density functional theory

(2008) Nicole A. Benedek et al.   PHYSICAL REVIEW B

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B

First-principles calculations of the elastic and electronic properties of the cubic perovskites SrMO3 (M=Ti, V, Zr and Nb) in comparison with SrSnO3

(2007) I.R. Shein et al.   SOLID STATE SCIENCES