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Aiming at the Multi-layer leather cutting machine,for the more thicker material paved on the table,the cutting resistance are increased and the cutter are to be need much more longer,this caused the c...
Abstract: Molecular dynamics computer simulations were used to study methanol molecules confined between the layers of 2:1 phyllosilicates. The model systems are based on natural Ca- and Na-rich montm...
Abstract: Molecular dynamics simulations were performed of the adsorption of methylene blue (MB) on model beidellite, montmorillonite, and muscovite mica surfaces, using a previously determined empiri...
The Cl NMR spectroscopy of Cl -intercalated hydrotalcite and the Ca-aluminate hydrate, the presence of hydrocalumite (Friedel°Os salt) demonstrates dynamical behavior of interlayer C dynamical orde...
Thecontinuousstructuraltransformationoftetragonalanalcime(Na Al Si 15.87 15.20 32.64 O !/16.3 O)upondehydrationwasstudied,usingRietveldstructureanalysisoftemper-96 2 ature-resolvedpowderdiffraction...
25Mg NMR spectra for several silicate and aluminosilicate melts were obtained from 1000–1470 8C. The peaks are initially very broad, but narrow with increasing temperature to near 500 Hz at the highes...
The high pressure phase transitions and melting of the mantle mineral MgSiO3 with the perovskite structure were investigated using molecular dynamics (MD) simulations of a large system of atoms on a p...
Abstract: Motion of the guest molecules in kaolinite/dimethyl sulfoxide (DMSO) intercalation compounds Al2Si2O5(OH)4?CH3)2SO has been studied by means of solid-state nuclear magnetic resonance (NMR) i...
Kanzaki et al. (1997) argue that SBAD structure cannot beand baddeleyiteonsidered to be intermediate between ?-PbO2 at highstructures. The similarity between SBAD and ?-PbO2pressure was emphasized by ...
Belonoshko et al. (1996) argued that they found a new high-pressure silica phase (which they denoted SBAD) with spacegroup Pnc2 from molecular dynamics (MD) simulations. How-ever, we noticed that a si...
WestudiedstructuralanddynamicalpropertiesofH absorbedinMg SiO byab-initiomoleculardynamics.We?rstcalculatedthe T 0equationofstateofpureforsteriteasafunctionofpressure,andwedeterminedtherelativestabili...
Thecontinuousstructuraltransformationofthenaturalzeolitestilbite(NaK Ba Ca Sr Mg [Fe Al Si O ]!/60 O)upondehydrationhasbeen 3.62 0.44 0.03 6.32 0.28 0.04 17.33 54.64 144 2studiedusingRietveldstructur...
Amolecular dynamics study withanalytical and ab initio interatomic potentials revealed the possibility of a new silica phase withPnc2 structure, which is more stable than sti-shovite and its CaCl2-lik...
Abstract: Structural transformations of illite-smectite samples of hydrothermal genesis with increasing contents of illite layers were studied by X-ray powder diffraction. The samples were K-saturated...
Melting of NaCl and MgOhas been simulated witha two-phase molecular dynamics method at constant pressure using newly developed interaction potentials. Equations of state for NaCl and MgOsimulated by m...

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