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1.
Bijaya B. Karki Dipesh Bhattarai Mainak Mookherjee Lars Stixrude 《Physics and Chemistry of Minerals》2010,37(2):103-117
We have explored first-principles molecular dynamics simulation data for hydrous MgSiO3 liquid (with 10 wt% water) to gain insight into its structural and dynamical behavior as a function of pressure (0–150 GPa)
and temperature (2,000–6,000 K). By visualizing/analyzing a number of parameters associated with short- and mid-range orders,
we have shown that the melt structure changes substantially on compression. The speciation of the water component at low pressures
is dominated by the isolated structures (with over 90% hydrogen participated) consisting of hydroxyls, water molecules, O–H–O
bridging and four-atom (O–H–O–H and H–O–H–O) groups, where every oxygen atom may be a part of polyhedron or free (i.e., bound
to only magnesium atom). Hydroxyls favor polyhedral sites over magnesium sites whereas molecular water is almost entirely
bound to magnesium sites, and also interpolyhedral bridging (Si–O–H–O–Si) dominates other types of bridging. Water content
is shown to enhance and suppress, respectively, the proportions of hydroxyls and molecular water. As compression increases,
these isolated structures increasingly combine with each other to form extended structures involving a total of five or more
O and H atoms and also containing threefold coordination species, which together consume over 80% hydrogen at the highest
compression studied. Our results show that water lowers the mean coordination numbers of different types including all cation–anion
environments. The hydrous melt tends to be more tetrahedrally coordinated but with the Si–Si network being more disrupted
compared to the anhydrous melt. Protons increase the content of non-bridging oxygen and decrease the contents of bridging
oxygen as well as oxygen triclusters (present at pressures above 10 GPa). The calculated self-diffusion coefficients of all
atomic species are enhanced in the presence of water compared to those of the anhydrous melt. This is consistent with the
prediction that water depolymerizes the melt structure at all pressures. Our analysis also suggests that proton diffusion
involves two processes—the transfer of H atoms (requiring the rupture and formation of O–H bonds) and the motion of hydroxyls
as hydrogen carriers (requiring the rupture and formation of Si–O and/or Mg–O bonds). Both the processes are operative at
low compression whereas only the first process is operative at high compression. 相似文献
2.
Application of geostatistics in estimating recoverable reserves of beach sand deposit is rare. This paper made an attempt to estimate local recoverable reserves using disjunctive kriging and discrete Gaussian model considering support and information effects for a beach sand deposit located in the eastern part of India. The dependence of different selective mining unit (SMU) sizes and different production sampling strategies on the estimated tonnage, metal quantity, and the ore tonnage versus metal quantity relationships has been examined. The results of the study show that nonlinear geostatistics should be used for more precise assessment of the grade, ore tonnage, and metal quantity and their relationships, which are necessary for recoverable reserve estimation. In selective mining operation, both support and information effects have significant influence on recoverable reserve. Recoverable reserve estimation based on SMU involves estimating grade distributions of mining unit with much bigger support than the available drill core sample data. Information effect comes into picture from the real scenario where the actual grades of the blocks remain unknown even during mining. At the mining stage, discrimination of ore and waste blocks is carried out based on estimated grades of the production samples and it is likely that the blocks might be misclassified as either ore or waste and thus sent to wrong destination. Information effect modeling makes the estimation more reliable by taking care of misclassification. 相似文献
3.
M K Panigrahi A Mookherjee G V C Pantulu K Gopalan 《Journal of Earth System Science》1993,102(2):399-413
On the basis of field relations, petrography and chemistry, three types of granitoids are recognized at Malanjkhand in and
around the copper deposit over an area of about 200 km2. These are (i) a fine grained ‘leucogranite’ of restricted occurrence in the surrounding area (Gr-I); (ii) coarse-grained,
grey in most parts, gneissose granitoid of regional extension (Gr-II); and (iii) the pink-feldspar bearing massive type hosting
the mineralization with occasional representatives in the surrounding country (Gr-III). Gr-I comes out as a distinct entity
on the basis of cross-cutting relation and mineralogical and chemical composition, the Rb-Sr whole rock isochron also giving
a younger age than the other two groups irrespective of the regression model used. Gr-II comes out as the oldest unit but
its age relationship with Gr-III cannot be established unequivocally. An uncorrelated error regression model establishes the
age relationship as Gr-I<Gr-III<Gr-II, whereas a two-error regression model establishes temporal closeness between Gr-II and
III.
The term ‘granitoids’ is being used broadly to include rocks ranging in composition from alkali-granite to tonalite. 相似文献
4.
Stratiform quartz-sulphide lodes in Ingladhal occur in a typical Precambrian green-stone-belt environment comprising metabasalts, tuff, chert and cherty iron-sulphide formation. Unusually high cobalt contents of metavolcanics and of sulphide minerals in orebodies suggest a consanguinity between ores and rocks. 90% of total nickel, 70% of total cobalt but only 30% of total copper in rocks occur in silicate phases and thus indicate an early separation of copper from cobalt and nickel. Unusually high non-sulphide copper in barren bedded cherts implies availability of Cu-rich solution prior to their lithification. Pyrite in sediments, in volcanics, and in orebodies is characterized by a distinctive pattern of Co-Ni distribution in each case. Partitioning of Co and Ni between coexisting sulphide pairs is complex, but gross equilibrium is indicated. Very high trace metal content of orebody pyrite sharply contrasts with very low such values in pyrite from adjacent sediments and points to a higher temperature of formation of orebodies. 相似文献
5.
6.
Sangita M. Pachkhande Prafull B. Kamble Aditi Mookherjee C. Rajshekhar Nikhil A. Kavathankar 《Journal of the Geological Society of India》2014,83(1):71-75
The benthic foraminifera from the Savitri estuary are being reported for the first time. The faunal analyses reveal the occurrence of mixed assemblage. It is observed that Trochammina inflata is the most dominant species and appears to be the indigenous to mangrove environment. 相似文献
7.
Carbonate ooids, notionally incompatible with an euxinic environment, and some curious reticulate tubular structures with fibrous carbonate walls are described from intraclasts occurring in Proterozoic black shales containing the pyrite deposit at Amjhor. While some of the tubes are visibly due to coalescence of ooids, others are interpreted as worm burrows on the basis of their strata-transgressive orientation, branching nature and larger diameter than those of the ooids.All stages of pyritization of ooids and tube-cores, displaying truncation of the growth-fabric of calcite grains by growing pyrite crystals, point to a late- or post-diagenetic age of pyritization. The clasts containing ooids and tubes are believed to have been transported from a shallow-bank and/or a nearshore environment into a lagoonal, euxinic basin. An environmental model, consistent with the observed data, is proposed to account for the ooid—black shale association. 相似文献
8.
9.
M. Mookherjee M. D. Welch L. Le Pollès S. A. T. Redfern D. E. Harlov 《Physics and Chemistry of Minerals》2005,32(2):126-131
The behaviour of the ammonium ion in synthetic buddingtonite, N(D,H)4AlSi3O8, has been studied by infrared (IR) spectroscopy from 20 K to 298 K and by 2H NMR spectroscopy from 120 K to 298 K. IR spectra were collected from 500 to 3500 cm–1. Static 2H NMR spectra collected at 298 K and 120 K are very similar, consisting of a single sharp isotropic resonance, indicating complete averaging of quadrupolar interactions and implying that at these temperatures the ammonium ion is in rapid (<1 s) randomised motion within the M-site cavity of the feldspar framework. NMR spectroscopy indicates that the splitting of the internal modes of the ammonium ion observed by IR spectroscopy is not due to freezing in of the ammonium ion. This observation rules out the formation of a preferred N–H...O hydrogen bond, with precession of the ion about it, as proposed by Kimball and Megaw (1978), because any N–H...O hydrogen bond must be very weak and transient in nature. Contraction of the cavity site upon cooling imposes a distortion upon the ammonium ion that affects vibrational modes. This distortion does not affect the motion of the ammonium ion as observed on the NMR time-scale. 相似文献
10.
M. Zhang G. J. Redhammer E. K. H. Salje M. Mookherjee 《Physics and Chemistry of Minerals》2002,29(9):609-616
Synthetic aegirine LiFeSi2O6 and NaFeSi2O6 were characterized using infrared spectroscopy in the frequency range 50–2000 cm−1, and at temperatures between 20 and 300 K. For the C2/c phase of LiFeSi2O6, 25 of the 27 predicted infrared bands and 26 of 30 predicted Raman bands are recorded at room temperature. NaFeSi2O6 (with symmetry C2/c) shows 25 infrared and 26 Raman bands. On cooling, the C2/c–P21/c structural phase transition of LiFeSi2O6 is characterized by the appearance of 13 additional recorded peaks. This observation indicates the enlargement of the unit
cell at the transition point. The appearance of an extra band near 688 cm−1 in the monoclinic P21/c phase, which is due to the Si–O–Si vibration in the Si2O6 chains, indicates that there are two non-equivalent Si sites with different Si–O bond lengths. Most significant spectral
changes appear in the far-infrared region, where Li–O and Fe–O vibrations are mainly located. Infrared bands between 300 and
330 cm−1 show unusually dramatic changes at temperatures far below the transition. Compared with the infrared data of NaFeSi2O6 measured at low temperatures, the change in LiFeSi2O6 is interpreted as the consequence of mode crossing in the frequency region. A generalized Landau theory was used to analyze
the order parameter of the C2/c–P21/c phase transition, and the results suggest that the transition is close to tricritical.
Received: 21 January 2002 / Accepted: 22 July 2002 相似文献