Related references
Note: Only part of the references are listed.First-principles investigation of uranium mononitride (UN): Effect of magnetic ordering, spin-orbit interactions and exchange correlation functional
Vancho Kocevski et al.
JOURNAL OF NUCLEAR MATERIALS (2022)
Thermodynamics Modeling for Actinide Monocarbides and Mononitrides from First Principles
Per Soderlind et al.
APPLIED SCIENCES-BASEL (2022)
Hybrid functional/embedded cluster study of uranium and actinide (actinide = Np, Pu, Am or Cm) mixed dioxides bulk and {110} surfaces
Jia-Li Chen et al.
JOURNAL OF NUCLEAR MATERIALS (2022)
Investigation of the bulk and point defect properties in uranium-plutonium mixed oxides (U,Pu)O2 using DFT+U: Effect of a low americium content
Martin S. Talla Noutack et al.
JOURNAL OF APPLIED PHYSICS (2022)
Diffusion of krypton and xenon in uranium mononitride; a Density Functional Theory Study
Lin Yang et al.
JOURNAL OF NUCLEAR MATERIALS (2022)
DFT plus U Study of Uranium Dioxide and Plutonium Dioxide with Occupation Matrix Control
Jia-Li Chen et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2022)
Effect of cationic chemical disorder on defect formation energies in uranium-plutonium mixed oxides
Didier Bathellier et al.
JOURNAL OF APPLIED PHYSICS (2022)
Incorporation of Kr and Xe in Uranium Mononitride: A Density Functional Theory Study
Lin Yang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2021)
Validation of the BERKUT fuel rod module against mixed nitride fuel experimental data
D. P. Veprev et al.
ANNALS OF NUCLEAR ENERGY (2020)
First-principles study of intrinsic point defects and Xe impurities in uranium monocarbide
Gui-Yang Huang et al.
JOURNAL OF APPLIED PHYSICS (2020)
Structural, thermodynamic, electronic and elastic properties of Th1-xUxO2 and Th1-xPuxO2 mixed oxides
P. S. Ghosh et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
A Hybrid Density Functional Study on PuN
Rong Yang et al.
ACTA PHYSICA POLONICA A (2018)
Electronic Structure Investigation of the Bulk Properties of Uranium-Plutonium Mixed Oxides (U, Pu)O2
Ibrahim Cheik Njifon et al.
INORGANIC CHEMISTRY (2018)
A first principle calculation on electronic properties of plutonium mononitride: Insights from dynamical mean field theory
Ru-song Li et al.
JOURNAL OF NUCLEAR MATERIALS (2018)
Theoretical investigation on electronic and mechanical properties of ternary actinide (U, Np, Pu) nitrides
Yu-Juan Zhang et al.
JOURNAL OF APPLIED PHYSICS (2017)
Importance of elastic finite-size effects: Neutral defects in ionic compounds
P. A. Burr et al.
PHYSICAL REVIEW B (2017)
INVESTIGATIONS OF MIXED URANIUM-PLUTONIUM NITRIDE FUEL IN PROJECT BREAKTHROUGH
A. F. Grachev et al.
ATOMIC ENERGY (2017)
Diffusion coefficients of transition metals in fcc cobalt
S. Shahab Naghavi et al.
ACTA MATERIALIA (2017)
Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni0.5Co0.5, Ni0.5Fe0.5, Ni0.8Fe0.2 and Ni0.8Cr0.2
Shijun Zhao et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Transport properties in dilute UN(X) solid solutions (X = Xe, Kr)
Antoine Claisse et al.
PHYSICAL REVIEW B (2016)
Efficient stochastic generation of special quasirandom structures
A. van de Walle et al.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY (2013)
A Screened Hybrid DFT Study of Actinide Oxides, Nitrides, and Carbides
Xiao-Dong Wen et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Itinerant nature of U 5f states in uranium mononitride revealed by angle-resolved photoelectron spectroscopy
Shin-ichi Fujimori et al.
PHYSICAL REVIEW B (2012)
RESULTS OF U0.55Pu0.45N AND U0.4Pu0.6N MIXED MONONITRIDE FUEL TESTS IN A BOR-60 REACTOR TO BURNUP 12% h.a.
B. D. Rogozkin et al.
ATOMIC ENERGY (2011)
The high burn-up structure in nuclear fuel
Vincenzo V. Rondinella et al.
MATERIALS TODAY (2010)
Generation and performance of special quasirandom structures for studying the elastic properties of random alloys: Application to Al-Ti
Johann von Pezold et al.
PHYSICAL REVIEW B (2010)
First-principles theory of dilute magnetic semiconductors
K. Sato et al.
REVIEWS OF MODERN PHYSICS (2010)
Ground-state electronic structure of actinide monocarbides and mononitrides
L. Petit et al.
PHYSICAL REVIEW B (2009)
Solute-vacancy binding in aluminum
C. Wolverton
ACTA MATERIALIA (2007)
Density functional study of the actinide nitrides
Raymond Atta-Fynn et al.
PHYSICAL REVIEW B (2007)
Calculation of enthalpies of formation of actinide nitrides
D Sedmidubsky et al.
JOURNAL OF NUCLEAR MATERIALS (2005)
Van der Waals density functional for general geometries -: art. no. 246401
M Dion et al.
PHYSICAL REVIEW LETTERS (2004)
Fission gas release and swelling in uranium-plutonium mixed nitride fuels
K Tanaka et al.
JOURNAL OF NUCLEAR MATERIALS (2004)
Photoelectron spectroscopy study of PuN
L Havela et al.
PHYSICAL REVIEW B (2003)
Electronic structure of Pu monochalcogenides and monopnictides
L Petit et al.
EUROPEAN PHYSICAL JOURNAL B (2002)
Diffusion of 44Ti and 63Ni in TiAl single crystal
T Ikeda et al.
ACTA MATERIALIA (2001)
A molecular dynamics study on uranium-plutonium mixed nitride
K Kurosaki et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2001)
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)