Theoretical investigation of structural and thermo-mechanical properties of thoria
|
journal
|
March 2016 |
Investigation of thermally induced anion disorder in fluorites using neutron scattering techniques
|
journal
|
August 1984 |
Hybrid Density Functional Study on Plutonium Dioxide
|
conference
|
June 2014 |
Experimental measurement of pre-melting and melting of thorium dioxide
|
journal
|
July 1996 |
Automatic selection of atomic fingerprints and reference configurations for machine-learning potentials
|
journal
|
June 2018 |
Interatomic force constants from first principles: The case of α-quartz
|
journal
|
November 1994 |
Critical evaluation of the thermal properties of Th02 and Th1−yUy02 and a survey of the literature data on Th1−yPuy02
|
journal
|
November 1997 |
Nuclear and materials aspects of the thorium fuel cycle
|
journal
|
September 1981 |
Self-learning hybrid Monte Carlo method for isothermal–isobaric ensemble: Application to liquid silica
|
journal
|
July 2021 |
Dependence of a cooling rate on structural and vibrational properties of amorphous silicon: A neural network potential-based molecular dynamics study
|
journal
|
September 2019 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
|
journal
|
March 1995 |
Neutron scattering studies of acoustic phonon modes in PbF2up to high temperatures
|
journal
|
January 1979 |
Theoretical investigation of structural and thermo-mechanical properties of thoria up to 3300 K temperature
|
journal
|
October 2014 |
Rationalizing accurate structure prediction in the meta-GGA SCAN functional
|
journal
|
July 2019 |
Electrical Conductivity ofPbF2
|
journal
|
March 1975 |
High-precision molecular dynamics simulation of UO2–PuO2: Pair potentials comparison in UO2
|
journal
|
December 2011 |
Molecular Dynamics with On-the-Fly Machine Learning of Quantum-Mechanical Forces
|
journal
|
March 2015 |
Low cost, proliferation resistant, uranium–thorium dioxide fuels for light water reactors
|
journal
|
January 2001 |
Adaptive machine learning framework to accelerate ab initio molecular dynamics
|
journal
|
December 2014 |
Ab initiomolecular dynamics for liquid metals
|
journal
|
January 1993 |
Entropic crossovers in superionic fluorites from specific heat
|
journal
|
February 2017 |
Thermal conductivities of ThO2, NpO2 and their related oxides: Molecular dynamics study
|
journal
|
February 2014 |
Assessing the performance of recent density functionals for bulk solids
|
journal
|
April 2009 |
Self-diffusion and ionic exchange in mechanosynthesized, nanocrystalline solid solutions of PbF2 and CaF2 19F 2D NMR visualizes the flourine hopping preferences
|
journal
|
December 2019 |
The classical equation of state of gaseous helium, neon and argon
|
journal
|
October 1938 |
Thermodynamic properties and structural stability of thorium dioxide
|
journal
|
May 2012 |
Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference
|
journal
|
June 2019 |
Self-Consistent Equations Including Exchange and Correlation Effects
|
journal
|
November 1965 |
First-Principles Calculation of Phonon and Schottky Heat Capacities of Plutonium Dioxide
|
journal
|
May 2015 |
High temperature X-ray diffractometric studies on the lattice thermal expansion behaviour of UO2, ThO2 and (U0.2Th0.8)O2 doped with fission product oxides
|
journal
|
December 1991 |
The bulk modulus of ThO2—an experimental and theoretical study
|
journal
|
November 2004 |
Effects of spin-orbit coupling and strong correlation on the paramagnetic insulating state in plutonium dioxides
|
journal
|
October 2010 |
Gaussian approximation potentials: A brief tutorial introduction
|
journal
|
April 2015 |
Accurate Density Functional for the Energy: Real-Space Cutoff of the Gradient Expansion for the Exchange Hole
|
journal
|
October 1985 |
A many-body potential approach to modelling the thermomechanical properties of actinide oxides
|
journal
|
February 2014 |
How van der Waals interactions determine the unique properties of water
|
journal
|
July 2016 |
On-the-Fly Machine Learning of Atomic Potential in Density Functional Theory Structure Optimization
|
journal
|
January 2018 |
A molecular dynamics study of thorium nitride
|
journal
|
May 2005 |
Behavior of actinide dioxides under pressure: and
|
journal
|
July 2004 |
Comparison of interatomic potentials for UO2. Part I: Static calculations
|
journal
|
June 2007 |
Diffuse transition and melting in fluorite and antifluorite type of compounds. Heat content of potassium sulfide from 298 to 1260.degree.K
|
journal
|
April 1968 |
Comparison of interatomic potentials for UO2
|
journal
|
May 2008 |
Molecular dynamics study on thermal properties of ThO2 doped with U and Pu in high temperature range
|
journal
|
April 2015 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
|
journal
|
October 1996 |
VESTA : a three-dimensional visualization system for electronic and structural analysis
|
journal
|
May 2008 |
Parallel Multistream Training of High-Dimensional Neural Network Potentials
|
journal
|
April 2019 |
Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals
|
journal
|
June 1984 |
Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces
|
journal
|
April 2007 |
Superionic UO 2 : A model anharmonic crystalline material
|
journal
|
May 2019 |
Library-Based LAMMPS Implementation of High-Dimensional Neural Network Potentials
|
journal
|
January 2019 |
Elastic Constants of Single Crystal Tho 2 at 25°C
|
journal
|
December 1964 |
DFT+U study of the structures and properties of the actinide dioxides
|
journal
|
August 2017 |
A molecular dynamics study of the thermal properties of thorium oxide
|
journal
|
October 2012 |
Theoretical analysis of uranium-doped thorium dioxide: Introduction of a thoria force field with explicit polarization
|
journal
|
August 2015 |
Low Dimensional String-like Relaxation Underpins Superionic Conduction in Fluorites and Related Structures
|
journal
|
March 2017 |
Constructing high-dimensional neural network potentials: A tutorial review
|
journal
|
March 2015 |
Observation of Oxygen Frenkel Disorder in Uranium Dioxide above 2000 K by Use of Neutron-Scattering Techniques
|
journal
|
April 1984 |
High-temperature properties of thorium dioxide: A first-principles molecular dynamics study
|
journal
|
September 2016 |
Atomistic models to investigate thorium dioxide (ThO 2 )
|
journal
|
May 2012 |
Ground State of the Electron Gas by a Stochastic Method
|
journal
|
August 1980 |
Calculation of Cohesive and Surface Energies of Thorium and Uranium Dioxides
|
journal
|
January 1963 |
Inelastic neutron scattering investigation of the lattice dynamics of ThO2 and CeO2
|
journal
|
January 1987 |
Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
|
journal
|
April 2010 |
Enthalpy of thorium dioxide to 3400 K
|
journal
|
November 1981 |
An implementation of artificial neural-network potentials for atomistic materials simulations: Performance for TiO2
|
journal
|
March 2016 |
Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory
|
journal
|
April 1997 |
Microscopic theory of the insulating electronic ground states of the actinide dioxides AnO (An = U, Np, Pu, Am, and Cm)
|
journal
|
November 2013 |
Thermophysical properties and oxygen transport in (Thx,Pu1−x)O2
|
journal
|
October 2016 |
Comparison of approximations in density functional theory calculations: Energetics and structure of binary oxides
|
journal
|
September 2017 |
First-principles calculations of the ferroelastic transition between rutile-type and -type at high pressures
|
journal
|
October 2008 |
Investigation of anion disorder in PbF 2 at high temperatures by neutron diffraction
|
journal
|
July 1982 |
Nucleation mechanism for the direct graphite-to-diamond phase transition
|
journal
|
July 2011 |