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Xiancai Lu
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Journal Article
Mechanistic understanding of dehydroxylation reaction of smectites: Insights from reactive force field (ReaxFF) molecular dynamics simulation
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 30 August 2024
American Mineralogist (2024)
Journal Article
Ferric vs. ferrous arsenate amorphous precursors: properties and controls on scorodite mineralization
Pei Chang, Xiangyu Zhu, Hongming Cai, Jianchao Zhang, Siliang Li, Xiancai Lu, Rucheng Wang, Hui Henry Teng
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 August 2024
American Mineralogist (2024)
Journal Article
Interfacial structure and acidity of orthoclase (001) surface: understanding the effect of surface metal cation
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 19 July 2024
American Mineralogist (2024)
Journal Article
Understanding the unique geochemical behavior of Sc in the interaction with clay minerals
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 02 January 2024
American Mineralogist (2024) 109 (1): 167–173.
Includes: Supplemental Content
Journal Article
Effects of crystal chemistry on adsorption, occurrence, and mobility of water in palygorskite tunnels
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 November 2023
American Mineralogist (2023) 108 (11): 2065–2074.
Includes: Supplemental Content
Journal Article
Structures and transport properties of supercritical SiO 2 -H 2 O and NaAlSi 3 O 8 -H 2 O fluids
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 October 2023
American Mineralogist (2023) 108 (10): 1871–1880.
Includes: Supplemental Content
Journal Article
Mn substitution and distribution in goethite and influences on its photocatalytic properties: A combined study using first-principles calculations and photocatalytic experiments
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 May 2023
American Mineralogist (2023) 108 (5): 968–977.
Journal Article
Nucleation of Th-rich cerianite on halloysite surface in a regolith-hosted rare earth elements deposit in South China
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 03 April 2023
American Mineralogist (2023) 108 (4): 769–774.
Journal Article
Atomistic mechanism of cadmium incorporation into hydroxyapatite
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 April 2022
American Mineralogist (2022) 107 (4): 664–672.
Journal Article
Interfacial structures and acidity constants of goethite from first-principles Molecular Dynamics simulations
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 November 2021
American Mineralogist (2021) 106 (11): 1736–1743.
Journal Article
A Molecular Dynamics Simulation Study of Fe-Containing Palygorskite
Journal: Clays and Clay Minerals
Publisher: Clay Minerals Society
Published: 01 August 2021
Clays and Clay Minerals (2021) 69 (4): 399–405.
Journal Article
MOLECULAR DYNAMICS SIMULATION OF ALKYLAMMONIUM-INTERCALATED VERMICULITES
Journal: Clays and Clay Minerals
Publisher: Clay Minerals Society
Published: 01 December 2017
Clays and Clay Minerals (2017) 65 (6): 378–386.
Journal Article
CADMIUM(II) COMPLEXES ADSORBED ON CLAY EDGE SURFACES: INSIGHT FROM FIRST PRINCIPLES MOLECULAR DYNAMICS SIMULATION
Journal: Clays and Clay Minerals
Publisher: Clay Minerals Society
Published: 01 August 2016
Clays and Clay Minerals (2016) 64 (4): 337–347.
Journal Article
CHANGES IN THE INTERLAYER STRUCTURE AND THERMODYNAMICS OF HYDRATED MONTMORILLONITE UNDER BASIN CONDITIONS: MOLECULAR SIMULATION APPROACHES
Journal: Clays and Clay Minerals
Publisher: Clay Minerals Society
Published: 01 August 2016
Clays and Clay Minerals (2016) 64 (4): 503–511.
Journal Article
Interstratification of graphene-like carbon layers within black talc from Southeastern China: Implications to sedimentary talc formation
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 July 2016
American Mineralogist (2016) 101 (7): 1668–1678.
Journal Article
Thermodynamics of mixing in an isostructural solid solution: Simulation methodologies and application to the rutile-cassiterite system
Xin Liu, Victor L. Vinograd, Xiancai Lu, Egor V. Leonenko, Nikolay N. Eremin, Rucheng Wang, Björn Winkler
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 May 2016
American Mineralogist (2016) 101 (5): 1197–1206.
Journal Article
Confined water in tunnel nanopores of sepiolite: Insights from molecular simulations
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 March 2016
American Mineralogist (2016) 101 (3): 713–718.
Journal Article
Atomistic simulation on mixing thermodynamics of calcite-smithsonite solid solutions
Journal: American Mineralogist
Publisher: Mineralogical Society of America
Published: 01 January 2015
American Mineralogist (2015) 100 (1): 172–180.
Journal Article
FIRST-PRINCIPLES MOLECULAR DYNAMICS INSIGHT INTO Fe 2+ COMPLEXES ADSORBED ON EDGE SURFACES OF CLAY MINERALS
Journal: Clays and Clay Minerals
Publisher: Clay Minerals Society
Published: 01 August 2012
Clays and Clay Minerals (2012) 60 (4): 341–347.
Journal Article
Microbial Oxidation of Sulfide Tailings and the Environmental Consequences
Journal: Elements
Publisher: Mineralogical Society of America
Published: 01 April 2012
Elements (2012) 8 (2): 119–124.
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