0000000000522778
AUTHOR
Philippe D'arco
Radial cracks around inclusions: A program to calculate P-T paths with respect to elastic properties of minerals
Abstract Radial cracking around inclusions in a matrix originated by their differential elastic behavior allows the development of a new method for reconstructing the evolution of P-T paths during metamorphism. The appearance of radial cracking is a function of the variation of the elastic parameters between the matrix and inclusion, the initial P-T conditions of inclusion entrapment and the component of isothermal decompression characteristic for a retrograde path. The program RADCRA is written in FORTRAN 77 and presents a general form to calculate the different P-T evolutions for a matrix and an inclusion during metamorphism. Necessary input data are the elastic properties of each mineral…
Interstitial carbon defects in silicon. A quantum mechanical characterization through the infrared and Raman spectra.
The infrared (IR) and Raman spectra of eight substitutional carbon defects in silicon are computed at the quantum mechanical level by using a periodic supercell approach based on hybrid functionals, an all electron Gaussian type basis set and the CRYSTAL code. The single substitutional C s case and its combination with a vacancy (C s V and C s SiV) are considered first. The progressive saturation of the four bonds of a Si atom with C is then examined. The last set of defects consists of a chain of adjacent carbon atoms C s i , with i = 1-3. The simple substitutional case, C s , is the common first member of the three sets. All these defects show important, very characteristic features in th…
Substitutional carbon defects in silicon: A quantum mechanical characterization through the infrared and Raman spectra
EUROfusion Enabling Research Project, Grant/Award Number: ENR‐MFE19.ISSP‐UL‐02; GENCI, Grant/Award Number: 2018‐[A0050810537] (Ph. D'Arco) Access to the HPC resources of CINES/IDRIS/TGCC obtained thanks to the grant 2018-[A0050810537]
Radial cracks around α-quartz inclusions in almandine: Constraints on the metamorphic history of the Oman mountains
Radiating tensional cracks around α-quartz inclusions in almandine have been observed in metapelite samples from the southeastern Saih Hatat tectonic window, northeastern Oman Mountains. These almandines show an inclusion-rich (glaucophane + epidote) and strongly deformed core with inclusions of different mineral phases. The rim of the same almandines is inclusion-poor and shows only quartz, apatite, zircon, rutile and BaAl phosphates as inclusions. Quartz and apatite inclusions in the rim are single crystals often surrounded by radial cracks. These radial cracks developed during uplift by the dilation of α-quartz (4–5 vol%) without a phase transformation. Subsequently, these cracks were fi…