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- W4280491817 abstract "Muscovite ranks among the most commonly dated minerals in 40Ar/39Ar geochronology. Yet, its use in thermochronological reconstructions is hampered by the lack of reliable data on its 40Ar diffusional behavior. In this contribution, we investigate 40Ar lattice diffusion in muscovite at the atomic scale using Molecular Dynamics (MD) simulations combined with Nudged Elastic Band (NEB) and Transition State Theory (TST). Classical MD simulations of 40Ar recoil dynamics in 2M1 muscovite reveal that 40Ar initially resides predominantly in the interlayer region, close to its production site. Systematic computations of migration barriers coupling NEB with TST identify the divacancy mechanism as the more energetically favorable pathway for 40Ar diffusion in the interlayer region, with characteristic activation energy E=66 kcal.mol−1 and frequency factor D0=6×10-4 cm2.s−1. For typical cooling rates between 1–100 °C.Ma−1 and grain size varying from 0.1 and 1 mm, these parameters predict closure temperatures significantly higher (∼ 200 °C) than currently accepted maximum estimates (∼ 500 °C). Consistent with long-standing empirical evidence, our theoretical results downplay the role of purely thermally activated diffusion in promoting efficient 40Ar transport in ideal (stoichiometrically stable and undefective) muscovite. Along with experimental and field-based evidence, they call for more complex physics to explain the 40Ar retention properties of natural muscovite, most notably by considering crystal-chemical disequilibrium interactions and the reactivity of the interlayer with the external medium." @default.
- W4280491817 created "2022-05-22" @default.
- W4280491817 creator A5037183286 @default.
- W4280491817 creator A5046290541 @default.
- W4280491817 creator A5046877078 @default.
- W4280491817 creator A5090911691 @default.
- W4280491817 date "2022-08-01" @default.
- W4280491817 modified "2023-10-18" @default.
- W4280491817 title "Atomistic simulations of <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML altimg=si56.svg><mml:mrow><mml:msup><mml:mrow /><mml:mrow><mml:mn>40</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>Ar diffusion in muscovite" @default.
- W4280491817 cites W1561640761 @default.
- W4280491817 cites W1898548602 @default.
- W4280491817 cites W1968028069 @default.
- W4280491817 cites W1968189014 @default.
- W4280491817 cites W1968222064 @default.
- W4280491817 cites W1968590834 @default.
- W4280491817 cites W1969799177 @default.
- W4280491817 cites W1969951912 @default.
- W4280491817 cites W1972541213 @default.
- W4280491817 cites W1974342720 @default.
- W4280491817 cites W1975825498 @default.
- W4280491817 cites W1977902080 @default.
- W4280491817 cites W1979719551 @default.
- W4280491817 cites W1980544446 @default.
- W4280491817 cites W1981210002 @default.
- W4280491817 cites W1981244912 @default.
- W4280491817 cites W1984102652 @default.
- W4280491817 cites W1990296166 @default.
- W4280491817 cites W1991782836 @default.
- W4280491817 cites W1992705178 @default.
- W4280491817 cites W1993441115 @default.
- W4280491817 cites W1993516950 @default.
- W4280491817 cites W1997651883 @default.
- W4280491817 cites W1998141434 @default.
- W4280491817 cites W2000277662 @default.
- W4280491817 cites W2000435773 @default.
- W4280491817 cites W2001176851 @default.
- W4280491817 cites W2009195085 @default.
- W4280491817 cites W2010891459 @default.
- W4280491817 cites W2014642455 @default.
- W4280491817 cites W2015624170 @default.
- W4280491817 cites W2016493913 @default.
- W4280491817 cites W2017017050 @default.
- W4280491817 cites W2019034961 @default.
- W4280491817 cites W2023270018 @default.
- W4280491817 cites W2024390287 @default.
- W4280491817 cites W2027551132 @default.
- W4280491817 cites W2028056984 @default.
- W4280491817 cites W2028163551 @default.
- W4280491817 cites W2030600140 @default.
- W4280491817 cites W2030983225 @default.
- W4280491817 cites W2031402176 @default.
- W4280491817 cites W2031451205 @default.
- W4280491817 cites W2033178018 @default.
- W4280491817 cites W2037558048 @default.
- W4280491817 cites W2038507867 @default.
- W4280491817 cites W2040130929 @default.
- W4280491817 cites W2041007525 @default.
- W4280491817 cites W2044649272 @default.
- W4280491817 cites W2045434219 @default.
- W4280491817 cites W2045796990 @default.
- W4280491817 cites W2047469436 @default.
- W4280491817 cites W2051415009 @default.
- W4280491817 cites W2053381713 @default.
- W4280491817 cites W2055399750 @default.
- W4280491817 cites W2056561136 @default.
- W4280491817 cites W2056615499 @default.
- W4280491817 cites W2056972936 @default.
- W4280491817 cites W2060166898 @default.
- W4280491817 cites W2062520230 @default.
- W4280491817 cites W2064599002 @default.
- W4280491817 cites W2066688058 @default.
- W4280491817 cites W2067124013 @default.
- W4280491817 cites W2067410203 @default.
- W4280491817 cites W2068810236 @default.
- W4280491817 cites W2068937960 @default.
- W4280491817 cites W2069387827 @default.
- W4280491817 cites W2076956561 @default.
- W4280491817 cites W2077621461 @default.
- W4280491817 cites W2078157648 @default.
- W4280491817 cites W2078488908 @default.
- W4280491817 cites W2079032830 @default.
- W4280491817 cites W2086856518 @default.
- W4280491817 cites W2087466000 @default.
- W4280491817 cites W2090040197 @default.
- W4280491817 cites W2093218960 @default.
- W4280491817 cites W2100867694 @default.
- W4280491817 cites W2106634720 @default.
- W4280491817 cites W2107092352 @default.
- W4280491817 cites W2110867276 @default.
- W4280491817 cites W2112139658 @default.
- W4280491817 cites W2115177642 @default.
- W4280491817 cites W2116972282 @default.
- W4280491817 cites W2120619916 @default.
- W4280491817 cites W2122333550 @default.
- W4280491817 cites W2124183778 @default.
- W4280491817 cites W2132364829 @default.
- W4280491817 cites W2132593853 @default.
- W4280491817 cites W2151185008 @default.
