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Works (33)
Updated: April 5th, 2024 05:55
2023 journal article
Design, Modeling, and Analysis of a Compact-External Electromagnetic Pumping System for Pool-Type Liquid Metal-Cooled Fast Reactors
ANNALS OF NUCLEAR ENERGY, 193.
author keywords: Electromagnetic pump; Liquid metal-cooled reactor; Outside-vessel pumping; Pool type
UN Sustainable Development Goal Categories
11. Sustainable Cities and Communities
(Web of Science)
Sources: Web Of Science, ORCID
Added: August 28, 2023
2023 journal article
Design, Modeling, and Analysis of a Compact-External Electromagnetic Pumping System for Pool-Type Liquid Metal-Cooled Fast Reactors
ANNALS OF NUCLEAR ENERGY, 193.
author keywords: Electromagnetic pump; Liquid metal-cooled reactor; Outside-vessel pumping; Pool type
Sources: Web Of Science, ORCID
Added: July 19, 2023
2022 journal article
Comparison of glancing-angle scatterings on different materials in a high aspect ratio plasma etching process using molecular dynamics simulation
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A, 40(5).
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Sources: Web Of Science, ORCID
Added: September 2, 2022
2021 journal article
Corrosion resistance and mechanical properties of Armakap cement for nuclear applications
NUCLEAR ENGINEERING AND DESIGN, 374.
author keywords: Armakap Technologies; Nuclear waste; Concrete; Corrosion; Mechanical properties
UN Sustainable Development Goal Categories
12. Responsible Consumption and Production
(Web of Science)
Sources: Web Of Science, ORCID
Added: April 12, 2021
2021 journal article
Decoding ionic conductivity and reordering in cation-disordered pyrochlores
author keywords: pyrochlores; solid-state ionics; molecular dynamics; energy materials; superionic conductors
TL;DR:
Using atomistic simulations on Gd2Zr2O7, it is shown that the anions engage in concerted hops to the neighbouring tetrahedral sites mostly along with the ⟨1 0 0⟩ direction while completely avoiding the octahedral sites, and both the distribution of available oxygen sites following random cation disorder and the probability of occupation of these sites are tracked.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
12. Responsible Consumption and Production
(Web of Science)
Source: Web Of Science
Added: October 26, 2021
2019 journal article
Deducing Phonon Scattering from Normal Mode Excitations
SCIENTIFIC REPORTS, 9.
TL;DR:
This work adopts a set of real asymmetric normal mode amplitudes, and deduces that the energy exchanged from one mode to another in each elementary interaction is proportional to the frequency – a quantum-like restriction.
(via Semantic Scholar)
www.nature.com (publisher PDF)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
Source: Web Of Science
Added: June 17, 2019
2019 journal article
Exact diagonal representation of normal mode energy, occupation number, and heat current for phonon-dominated thermal transport
JOURNAL OF CHEMICAL PHYSICS, 151(10).
TL;DR:
This work casts the Hamiltonian, normal mode population, and heat current in an exactly diagonalizable representation using real normal mode amplitudes and shows that the use of real amplitudes obviates the need for a complex modal heat current while making the passage to second quantization more apparent.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science; OpenAlex)
Source: Web Of Science
Added: October 7, 2019
2019 journal article
Phonon dispersion using the ratio of zero-time correlations among conjugate variables: Computing full phonon dispersion surface of graphene
COMPUTER PHYSICS COMMUNICATIONS, 238, 124–137.
author keywords: Phonon dispersion; Graphene; Lattice Dynamics; Simulations; Thermal Conductivity; Nanoscale
TL;DR:
A robust family of methods to compute the phonon dispersion curves based on the ratio of zero-time correlations of conjugate variables in the reciprocal space is presented and the ability of the ZTR methods to handle anharmonicity and phonon softening at high temperatures is illustrated.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
Source: Web Of Science
Added: April 15, 2019
2018 journal article
Approach to local thermodynamic equilibrium and the evolution to a glassy core following neutron/ion radiation impact
PHILOSOPHICAL MAGAZINE, 98(29), 2701–2722.
author keywords: Radiation; neutrons and ions; jammed; glassy; molecular dynamics simulations
Source: Web Of Science
Added: October 16, 2018
2018 journal article
Computing Phonon Dispersion using Fast Zero-Point Correlations of Conjugate Variables
MRS ADVANCES, 3(10), 531–536.
Source: Web Of Science
Added: August 6, 2018
2018 journal article
Thermal Jamming of Ions in the Superionic State of UO2
MRS ADVANCES, 3(31), 1777–1781.
Source: Web Of Science
Added: August 6, 2018
2018 journal article
Using Space-Time Correlations to Identify Transient Defects
MRS ADVANCES, 3(31), 1755–1760.
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2017 journal article
Disordering and dynamic self-organization in stoichiometric UO2 at high temperatures
JOURNAL OF NUCLEAR MATERIALS, 483, 132–141.
author keywords: UO2; Dynamic; Disorder; Entropy; Self-organization
UN Sustainable Development Goal Categories
11. Sustainable Cities and Communities
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2017 journal article
Entropic crossovers in superionic fluorites from specific heat
IONICS, 23(4), 1043–1047.
author keywords: Superionic conductors; Fluorites; Specific heat; Entropy; Onset of disorder
Source: Web Of Science
Added: August 6, 2018
2017 journal article
Ion hopping and constrained Li diffusion pathways in the superionic state of antifluorite Li2O
Entropy, 19(5).
Source: NC State University Libraries
Added: August 6, 2018
2017 journal article
Low Dimensional String-like Relaxation Underpins Superionic Conduction in Fluorites and Related Structures
SCIENTIFIC REPORTS, 7.
TL;DR:
This work provides weighty evidence for string-like dynamical structures that govern the fast ion conduction process in fluorites and shows that lower temperatures encourage the growth of longer but slowly relaxing strings and vice-versa - a direct manifestation of heterogeneous dynamics.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2016 journal article
Modeling irradiation creep of graphite using rate theory
JOURNAL OF NUCLEAR MATERIALS, 473, 197–205.
author keywords: Graphite; Creep; Irradiation; Activation energy
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2015 journal article
Mobility propagation and dynamic facilitation in superionic conductors
The Journal of Chemical Physics, 143(19), 194502.
TL;DR:
The mechanism of dynamic facilitation (DF) is demonstrated in two superionic conductors (CaF2 and UO2) using atomistic simulations and both the metrics quantifying DH and DF show remarkable correspondence implying that DF, in the framework of kinematically constrained models, underpins the heterogeneous dynamics in type II superioniconductors.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: August 6, 2018
2014 journal article
Absolute thermodynamic properties of molten salts using the two-phase thermodynamic (2PT) superpositioning method
Physical Chemistry Chemical Physics, 16(7), 3062.
TL;DR:
It is shown that the absolute thermodynamic properties of molten salts can be accurately determined from the two-phase thermodynamic (2PT) method that is based on superpositioning of solid-like and gas-like (hard-sphere) vibrational density of states (DoS).
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(Web of Science)
7. Affordable and Clean Energy
(OpenAlex)
Sources: Crossref, NC State University Libraries
Added: August 6, 2018
2014 journal article
Creep Behavior of Hydrogenated Zirconium Alloys
JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE, 23(10), 3649–3656.
author keywords: creep; hydride; hydrogen; zirconium alloy
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
11. Sustainable Cities and Communities
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2014 journal article
Waxing and waning of dynamical heterogeneity in the superionic state
PHYSICAL REVIEW E, 89(1).
TL;DR:
This work, which has rigorously identified the onset of superionicity, gives a different direction for interpreting scattering experiments on the basis of statistical, correlated dynamics.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2013 journal article
Dynamic transitions in molecular dynamics simulations of supercooled silicon
PHYSICAL REVIEW B, 87(13).
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(Web of Science)
7. Affordable and Clean Energy
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2013 journal article
Early Damage Mechanisms in Nuclear Grade Graphite under Irradiation
Materials Research Letters, 2(1), 43–50.
author keywords: Graphite; Irradiation; Topological Defects; Dislocations; Amorphization
Source: Crossref
Added: August 28, 2020
2013 journal article
Multicomponent diffusion in molten LiCl-KCl: Dynamical correlations and divergent Maxwell-Stefan diffusivities
PHYSICAL REVIEW E, 87(5).
MeSH headings : Computer Simulation; Diffusion; Hot Temperature; Lithium Chloride / chemistry; Models, Chemical; Models, Molecular; Phase Transition; Potassium Chloride / chemistry; Solutions / chemistry
TL;DR:
It is observed that the Li-Li and Li-Cl ion pairs have a pronounced cage dynamics that remains noticeably strong even at high temperatures, and negative MS diffusivities are however shown to satisfy the nonnegative entropic constraints.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2011 journal article
Computing the viscosity of supercooled liquids: Markov network model
PLoS One, 6(3).
Source: NC State University Libraries
Added: August 6, 2018
2011 journal article
Time scale bridging in atomistic simulation of slow dynamics: viscous relaxation and defect activation
EUROPEAN PHYSICAL JOURNAL B, 82(3-4), 271–293.
Source: Web Of Science
Added: August 6, 2018
2010 journal article
Irradiation Induced Creep of Graphite
JOM, 62(9), 93–99.
Source: Web Of Science
Added: August 6, 2018
2010 journal article
The classical nature of thermal conduction in nanofluids
Journal of Heat Transfer, 132(10).
Source: NC State University Libraries
Added: August 6, 2018
2009 journal article
A benchmark study on the thermal conductivity of nanofluids
Journal of Applied Physics, 106(9), 094312.
Source: Crossref
Added: August 28, 2020
2009 journal article
Computing the viscosity of supercooled liquids
JOURNAL OF CHEMICAL PHYSICS, 130(22).
MeSH headings : Algorithms; Cold Temperature; Computer Simulation; Kinetics; Models, Chemical; Solvents / chemistry; Thermodynamics; Viscosity
TL;DR:
An atomistic method for computing the viscosity of highly viscous liquids based on activated state kinetics is described and a basin-filling algorithm allowing the system to climb out of deep energy minima through a series of activation and relaxation is proposed.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2009 journal article
Computing the viscosity of supercooled liquids. II. Silica and strong-fragile crossover behavior
JOURNAL OF CHEMICAL PHYSICS, 131(16).
TL;DR:
The method predicts an Arrhenius temperature variation, in agreement with experiments, the origin of which is revealed by both quantitative and qualitative results on transition state pathways, activation barrier analysis, energy landscape connectivity, and atomistic activation mechanisms.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2009 conference paper
Thermal conduction mechanism in nanofluids, solid composites and liquid mixtures
HT2009: Proceedings of the ASME Summer Heat Transfer Conference 2009, vol 2, 163–167.
Source: NC State University Libraries
Added: August 6, 2018
2008 journal article
Thermal conductance of nanofluids: is the controversy over?
Journal of Nanoparticle Research, 10(7), 1089–1097.
author keywords: nanofluids; aggregation; thermal conductivity; theory; nanoparticles; heat transfer
Source: Crossref
Added: August 28, 2020
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