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Thermal conductivity of layered minerals using molecular dynamics simulation: A case study on calcium sulfates

https://doi.org/10.1016/j.mtcomm.2024.108101

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Raman spectroscopic study of phase transitions in natural gypsum

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Calculation of thermal conductivity of gypsum plasterboards at ambient and elevated temperature

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Determining thermal properties of gypsum board at elevated temperatures

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Thermal properties and microstructure of gypsum board and its dehydration products: A theoretical and experimental investigation

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Thermal conductivity of gypsum boards beyond dehydration temperature

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Investigation of the Crystal Structure of γ-CaSO4, CaSO4 · 0.5 H2O, and CaSO4 · 0.6 H2O by Powder Diffraction Methods

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SFPE Handbook of Fire Protection Engineering

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A model for predicting heat transfer through noninsulated unloaded steel-stud gypsum board wall assemblies exposed to fire

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The hydration of calcium sulphate hemihydrate

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Structural morphology of gypsum (CaSO4·2H2O), brushite (CaHPO4·2H2O) and pharmacolite (CaHAsO4·2H2O)

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Molecular level deformation mechanism of ettringite

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Force field for calcium sulfate minerals to predict structural, hydration, and interfacial properties

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Thermal conductivity of cement paste: Influence of macro-porosity

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Triclinic tricalcium silicate: Structure and thermoelastic properties from molecular simulations

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Thermal conductivity, heat capacity and thermal expansion of ettringite and metaettringite: Effects of the relative humidity and temperature

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Friedel's salt: Temperature dependence of thermoelastic properties

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Comparison of Green–Kubo and NEMD heat flux formulations for thermal conductivity prediction using the Tersoff potential

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Molecular mechanisms of tricalcium aluminate under tensile loads

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Gypsum under tensile loading: A molecular dynamics study

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Compressive response of tricalcium aluminate crystal: Molecular dynamics investigations

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Thermal Characterization of a Tunisian Gypsum Plaster as Construction Material

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Visualizing moisture release and migration in gypsum plaster board during and beyond dehydration by neutron radiography

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Role of confined interstitial water in compressive response of calcium sulfate (CaSO4.n H2O)[n = 0,0.5,1]

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Calcium sulphate hemihydrate hydration leading to gypsum crystallization

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Anion water in gypsum (CaSO4·2H2O) and hemihydrate (CaSO4·1/2H2O)

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Dehydration reactions of gypsum: A neutron and X-ray diffraction study

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Intermolecular Dynamics of Water: Suitability of Reactive Interatomic Potential

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CaSO4 and Its Pressure-Induced Phase Transitions. A Density Functional Theory Study

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Thermodynamically Consistent Force Fields for the Assembly of Inorganic, Organic, and Biological Nanostructures: The INTERFACE Force Field

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Thermal conductivity of rock-forming minerals

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Intermolecular dynamics of ultraconfined interlayer water in tobermorite: influence on mechanical performance

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Multiscale Estimation of Elastic Constants of Hydrated Cement

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Markoff Random Processes and the Statistical Mechanics of Time-Dependent Phenomena. II. Irreversible Processes in Fluids

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Neutron Diffraction Study of Gypsum, CaSO42H2O

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Thermal transport in graphene supported on copper

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Pressure-induced phase transitions in gypsum

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The fluctuation-dissipation theorem

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Computer Simulation of the Lattice Dynamics of Solids

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Physical Origins of Thermal Properties of Cement Paste

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Comparison of atomic-level simulation methods for computing thermal conductivity

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Electron and phonon transport in silicon nanowires: Atomistic approach to thermoelectric properties

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Water channel structure of bassanite at high air humidity: crystal structure of CaSO4·0.625H2O

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A refinement of the crystal structure of gypsum CaSO4.2H2O

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Neutron diffraction refinement of the structure of gypsum, CaSO 4 .2H 2 O

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Thermophysical properties of the Po Basin rocks

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ELASTIC PROPERTIES OF SINGLE CRYSTALS OF ANHYDRITE

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Thermal conductivity of sedimentary rocks in the Sichuan basin, Southwest China

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Origin and diagenesis of gypsum and anhydrite

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Thermal Conductivity of Gypsum at High Temperatures – A Combined Experimental and Numerical Approach

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Infrared spectroscopy methods in reservoir rocks analysis – semiquantitative approach for carbonate rocks

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Predicting Thermal Conductivities of Formations From Other Known Properties

inferredcites →https://doi.org/10.2138/am.2008.2917openalex-snapshot

High-pressure behavior of gypsum: A single-crystal X-ray study

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Proceedings of the 13th International Conference on Structures in Fire

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Characterization of Natural Gypsum Materials and Their Composites for Building Applications

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Research on Mechanical Properties of High-Pressure Anhydrite Based on First Principles

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Equilibrium Molecular Dynamics (MD) Simulation Study of Thermal Conductivity of Graphene Nanoribbon: A Comparative Study on MD Potentials

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Incoming claims: where this work appears in other papers’ reference lists and arguments.

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