Zobrazeno 1 - 10
of 36
pro vyhledávání: '"Narayani Choudhury"'
Autor:
George Ehlers, Narayani Choudhury, David J. Wesolowski, Andrey Podlesnyak, George Reiter, Lawrence M. Anovitz, Andrew G. Seel, Alexander I. Kolesnikov, Eugene Mamontov, Timothy R. Prisk
Publikováno v:
ResearcherID
Using neutron scattering and ab initio simulations, we document the discovery of a new "quantum tunneling state" of the water molecule confined in 5 Å channels in the mineral beryl, characterized by extended proton and electron delocalization. We ob
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fa4a61a07099a7c4943d889076f938a9
https://zenodo.org/record/1233837
https://zenodo.org/record/1233837
Autor:
Samrath L. Chaplot, Narayani Choudhury
Publikováno v:
Pramana. 71:819-828
We review current research on minerals using inelastic neutron scattering and lattice dynamics calculations. Inelastic neutron scattering studies in combination with first principles and atomistic calculations provide a detailed understanding of the
Publikováno v:
Computational Materials Science. 37:152-158
We report first principles density functional calculations of the Born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg1/3Nb2/3O3). Visualization of the Born charge tensors as charge ellipsoids have provided microscopic i
Publikováno v:
Pramana. 63:409-412
Li2O finds several important technological applications, as it is used in solid-state batteries, can be used as a blanket breeding material in nuclear fusion reactors, etc. Li2O exhibits a fast ion phase, characterized by a thermally induced dynamic
Publikováno v:
Pramana. 63:73-79
At Trombay, lattice dynamics studies employing coherent inelastic neutron scattering (INS) experiments have been carried out at the two research reactors, CIRUS and Dhruva. While the early work at CIRUS involved many elemental solids and ionic molecu
Autor:
Subrata Ghose, Prabhatasree Goel, Narayani Choudhury, Mala N. Rao, Ranjan Mittal, Samrath L. Chaplot
Publikováno v:
European Journal of Mineralogy. 14:291-329
This paper reviews the inelastic-neutron-scattering measurements and theoretical lattice-dynamics calculations, which have aimed at providing a microscopic understanding of the vibrational and thermodynamic properties of geophysically important miner
Publikováno v:
Solid State Communications. 121:333-338
We report coherent inelastic neutron scattering measurements of the phonon dispersion relations and lattice dynamics shell model calculations of several microscopic and macroscopic properties of andalusite, Al 2 SiO 5 . Andalusite has an orthorhombic
Autor:
S. L. Chaplot, Narayani Choudhury
Publikováno v:
Solid State Communications. 116:599-603
Molecular dynamics simulations as a function of increasing pressure starting from the Earth's upper mantle phase enstatite MgSiO3 reveal successive phase transitions, first to a new novel intermediate phase, and then to the lower-mantle perovskite ph
Autor:
S. L. Chaplot, Narayani Choudhury
Publikováno v:
Solid State Communications. 114:127-132
Detailed lattice dynamical studies of the equations of state and the phase diagram of the geophysically important mineral enstatite have been undertaken. There are several enstatite polymorphs: ortho, proto and clinoenstatite, whose structures are ch