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1.
The rate of spinel (MgAl2O4) growth at the interface between MgO and Al2O3 was investigated systematically at temperatures of 1200° to ∼2000°C and pressures between 1.0 and 4.0 GPa with a solid-media, piston-cylinder apparatus. As reported in previous 1-atm studies, the thickness (ΔX) of the spinel layer increases linearly with the square root of time for experiments differing only in duration, irrespective of pressure-temperature (P-T) conditions. The reaction rate constant (k = ΔX2/2t) is log-linear in 1/T and also in pressure. The apparent activation energy of 410 kJ/mol is independent of pressure; the apparent activation volume increases systematically with increasing temperature. Electron microprobe traverses across the spinel layer reveal a significant Al excess and charge-compensating Mg deficit near the spinel/corundum interface. This nonstoichiometry is promoted by high temperatures (>1500°C), suppressed by high pressures and varies linearly across the spinel to a near-stoichiometric composition at the interface with periclase. The Al and Mg composition gradients can be used to extract interdiffusion coefficients for Al ↔ Mg exchange through the spinel, which are described by D?=2.5×10−6 exp(−28200/T) m2sThese diffusivities differ substantially from the reaction rate constant k, reflecting the fact that k is a combination of the diffusivity and the reaction potential as indicated by the difference in spinel composition across the spinel layer (i.e., coexisting with corundum vs. coexisting with periclase). A simple model can be used to separate the two effects and show that the reaction potential (i.e., the MgO-Al2O3 phase diagram) is sensitive to changes in both temperature and pressure, whereas the governing diffusivity depends only on temperature. 相似文献
2.
Alteration Mechanisms of Chromian-Spinel during Serpentinization at Wadi Sifein Area, Eastern Desert, Egypt 总被引：1，自引：0，他引：1
Wadi Sifein podiform chromite deposits, Central Eastern Desert of Egypt, are hosted by fully serpentinized peridotite that is a part of the dismembered Pan‐African ophiolite complexes. Relics of primary minerals and the chemical characters indicate that the ophiolitic rocks were derived from depleted mantle peridotite of harzburgite and subordinate dunite compositions. The mantle rocks were initially formed at a mid‐oceanic ridge and subsequently thrust at a supra‐subduction zone. The chromite mineralization at Wadi Sifein area displays either pod‐shaped bodies with massive and lumpy chromitite appearance or dissemination of chromian‐spinel in serpentinite matrix. The podiform chromitite exhibits a very limited compositional range in terms of Cr# [Cr/(Cr + Al) atomic ratio] and Mg# [Mg/(Mg + Fe) atomic ratio]. The chromian‐spinel, however, frequently displays optical and geochemical zoning. Four zones can be identified from core to edge: inner core representing the original composition of the chromian‐spinel; narrow Cr‐rich ferritchromit zone; wide ferritchromit zone; and outer Cr‐magnetite/magnetite zone. The zonation of chromian‐spinel is interpreted to be a result of serpentinization rather than magmatic or metamorphic processes. The geochemical data obtained from the chromitite and chromian‐spinel was statistically processed using discriminant and R‐mode factor analyses. Two trends, minor and major, were achieved considering the formation of ferritchromit. The minor trend is controlled by the redistribution of trivalent cations, where Cr2O3 increased on the expense mainly of Al2O3 and to less extent Fe2O3 to form zone II during the peak of serpentinization. The major trend of alteration, however, is explained by the exchange between Mg‐Fe2+ rather than Cr, Al, and Fe3+ to form zone III. Kammererite formation was accompanied the formation of zones III and IV at a 314°C temperature of formation. 相似文献
3.
In order to better identify the mineral phase which controls the rheology of the transition zone (between 410 and 660 km depth) transmission electron microscopy observations were made on several coexisting spinel-garnet assemblies: alkremite xenolith; pyrope-rich – MgO:1.1Al2 O3 spinel assembly deformed at 1173K, 800 MPa in a Griggs apparatus; (Mg,Fe)3 (Al,Mg,Si)2 Si3 O12 majorite – (Mg,Fe)2 SiO4 spinel assembly synthesized in a laser heated diamond anvil cell. It was found that garnet crystals systematically remain undeformed while spinel crystals are plastically deformed. These results are in accord with the assumption that the rheology of majorite is stronger than the rheology of spinel, in the conditions of the transition zone. 相似文献
4.
变质橄榄岩中尖晶石的分形结构因子类型及其成因意义 总被引：4，自引：2，他引：4
利用沈步明（１９９３）提出的分形结构因子的新方法，计算了橄榄岩包体、方辉橄榄岩、纯橄榄岩和铬铁矿等六种尖晶石的分形结构因子。划分了四种尖晶石分形结构因子类型：Ａ１和Ｃｒ强变异型、Ａ１和Ｃｒ变异型、Ｍｇ和Ｆｅ２－变异型、Ｍｇ和Ｆｅ２－强变异型，结合尖晶石的地质产状讨论了这四种类型的成因意义。通过大量分形结构子的计算和图表．有力说明分形结构因子对于表征物质在空间分布的结构性和数据之间的相关性，是一种有效的定量化手段。在推测尖晶石和主岩的成因方面，尖晶石的Ｃｒ（Ａ１）和Ｍｇ（Ｆｅ２＋）的ＦＳＦ值图解更优于尖晶石的Ｃｒ／（Ｃｒ＋Ａ１）－Ｍｇ／（Ｍ＋Ｆｅ２－）图解。 相似文献
5.
R. Kretz 《Journal of Metamorphic Geology》2014,32(9):1005-1017
Experimental data on diffusion in olivine , are used to define certain terms – diffusion coefficient, jump frequency, characteristic distance, random walk – that are useful in a discussion of atom displacements under natural conditions. Examples of atom displacements in two metamorphic terranes of the Canadian Precambrian Shield are then examined, as follows. (i) In a high‐grade metamorphic terrane in the Mid‐Proterozoic Grenville Province (Otter Lake Area), Mg concentration gradients about dolomite microcrystals in calcite and Na gradients about albite microcrystals in K‐feldspar are viewed as stranded Mg–Ca and Na–K interdiffusion gradients, formed by exsolution during slow cooling from ~700 to ~400 °C. (ii) In the Archean Slave Province (Yellowknife area), the crystallization of sillimanite, near andalusite but within crystals of quartz, possibly occurred by coupled Al–Si and oxygen–vacancy interdiffusion in quartz at ~550 °C. And the crystallization of garnet from chlorite occurred by the two‐way crystal‐boundary diffusion of several kinds of atoms across distances ranging to 3 mm. (iii) In the Otter Lake area, the crystallization of orthopyroxene–hornblende–spinel reaction zones at boundaries between crystals of olivine and plagioclase in metagabbro, evidently occurred by the mechanism of interstitial diffusion, that transported Mg, Fe, Mn and O atoms across the reaction zone from olivine to the plagioclase–(hornblende+spinel) boundary, and Si, Al, Ca and Na atoms from plagioclase to the olivine–orthopyroxene boundary, accompanied by NaSi–CaAl interdiffusion in plagioclase, and the addition of hydrogen and minor Ti, Zn, F, Cl and K from beyond the reaction zone. Also, centimetric reaction zones, with abundant biotite and plagioclase, at boundaries between K‐feldspar gneiss and deformed amphibolite dykes, evidently formed by the reaction, strained hornblende (in amphibolite) + K‐feldspar (in gneiss)→biotite (in amphibolite) + plagioclase (in gneiss), with crystal‐boundary diffusion of (Na + Ca) atoms and of K atoms across the reaction zone. 相似文献
6.
The fundamental band gap between conduction and valence bands in aluminate spinels has been found to be at least 8·1 eV; the optical reflectivity peak at this energy possibly represents the lowest-energy exciton. In crystals with non-stoichiometric Al/Mg ratios, the intensity of this first reflection peak appears to decrease with increasing Al/Mg ratio; however, the peak energies themselves are essentially independent of stoichiometry. It seems likely that spinel and olivine in spinel-structure will have electronic transport behavior similar to that of olivine in its normal structure. 相似文献
7.
The Red Mountain alpine peridotie forms the basal, dominantlyharzburgitic tectonite portion of an ophiolite suite in SouthIsland, New Zealand. Olivine and pyroxene Mg/Fe compositionsare constant for individual lithologies, but generally increasethrough the series harzburgite, orthopyroxenite, harzburgiticdunite, dunite. An olivine-clinopyroxene dominated transitionalperidotite along the western margin of the mass has more Fe-richsilicates than in the harzburgitic suite. Fe-Mg silicate-spinelrelationships and the distribution of Al between coexistingpyroxene and spinel indicate nearly complete post-layering equilibration.A partial re-equilibration is suggested by narrow compositionalrims on pyroxenes and spinel. Relative to the mineral cores,the rims show enhanced partitioning of Al into spinel relativeto pyroxene. The Fe-Mg relationships between silicates and spinel,and the compositional variations from cores to rims of pyroxenesand spinels indicate that the rims formed at lower temperaturesthan the mineral cores. This conclusion is supported by theapplication of several geothermometers, which give average temperaturesof equilibration and partial re-equilibration of 1000–1070?C and 920–1030 ?C, respectively. Pyroxene overgrowthson olivine probably represent pre-equilibration cooling phenomena.Equilibration pressures cannot be estimated with precision becauseRed Mountain pyroxenes have Al contents that vary as a functionof whole-rock Al2O3, and other compositional variables, as wellas of T and P of equilibration. The lack of plagioclase in theharzburgite tectonites, and the wide range of (Al/Cr)spinelindicate equilibration at fairly high pressures, probably atdepths within the 25–80 km range. The transitional peridotiteprobably formed by re-equilibration of residual crystals withbasaltic melt at shallower (<25 km) depths, and is evidencesupporting the conclusion that the ultramafic and mafic partsof the ophiolite suite at Red Mountain represent complementaryparts of the same melting event. 相似文献
8.
We report for the first time the occurrence of rare phosphate wagnerite as a stable phase from the Mg–Al granulites of Sonapahar. The wagnerite bearing assemblages consist of the spinel, phlogopite, brucite and corundum. The wagnerite appears in the Mg–Al granulites due to the break-down of spinel and fluorapatite. The mineral chemistry of the phases has been discussed from the EPMA data, which reveals that the fluorine content of the wagnerite is relatively low due to the exchange of F to coexisting phases. The major oxide analysis of the rocks show the low content of Ca, which is the requisite for the occurrences of wagnerite. 相似文献
9.
10.
‘Sakenites’ constitute a unique association of corundum‐, spinel‐ and sapphirine‐bearing anorthitic to phlogopitic rocks, first described in rocks from an exposure along the beds of the Sakena river to the NW of Ihosy, south Madagascar. The exposure has been revisited and subjected to a detailed petrological and geochemical study. The aluminous anorthitic rocks occur as boudinaged bands and lenses, closely associated with corundum‐, spinel‐ and sapphirine‐bearing phlogopitites, diverse calcsilicate rocks and marbles within a series of biotite‐sillimanite‐cordierite gneisses of the Ihosy granulite unit in the NW of the Pan‐African Bongolava‐Ranotsara shear zone. Bimineralic anorthite + corundum domains preserve the earliest record of a polyphasic evolutionary history that includes two distinct metasomatic episodes. Probable protoliths of these bimineralic rocks were kaolinite‐rich sediments or calcareous bauxites that were altered by Ca or Si infiltration‐metasomatism prior to or coeval with the development of the anorthite‐corundum assemblage. P–T pseudosection modelling of metapelitic gneisses suggests peak‐conditions around 800 °C and 6–7 kbar for the regional high‐grade metamorphism and deformation in the NW part of the Bongolava‐Ranotsara shear zone. The well‐annealed granoblastic‐polygonal textures indicate complete chemical and textural re‐equilibration of the foliated bimineralic rocks during this event. Subsequently, at somewhat lower P–T conditions (750–700 °C, 6 kbar), the influx of Mg‐, Si‐ and K‐bearing fluids into the anorthite‐corundum rocks caused significant metasomatic changes. In zones infiltrated by ‘primary’ potassic fluids, the bimineralic assemblage was completely replaced by phlogopite and Mg‐Al minerals, thereby producing corundum‐, spinel‐ and sapphirine‐bearing phlogopitites. Further advance of the resulting ‘residual’ Mg‐ and Si‐bearing fluids into anorthite‐corundum domains led to partial to complete replacement of corundum porphyroblasts by spinel, spinel + sapphirine or sapphirine, depending on the activities of the solutes. The static textures developed during this second metasomatic episode suggest fluid influx subsequent to intense ductile deformation in the Bongolava‐Ranotsara ductile shear zone c. 530–500 Ma ago. 相似文献
11.
Ultrahigh-pressure metamorphism and exhumation of garnet peridotite in Pohorje, Eastern Alps 总被引：1，自引：0，他引：1
M. JANÁK N. FROITZHEIM M. VRABEC E. J. KROGH RAVNA J. C. M. De HOOG 《Journal of Metamorphic Geology》2006,24(1):19-31
New evidence for ultrahigh‐pressure metamorphism (UHPM) in the Eastern Alps is reported from garnet‐bearing ultramafic rocks from the Pohorje Mountains in Slovenia. The garnet peridotites are closely associated with UHP kyanite eclogites. These rocks belong to the Lower Central Austroalpine basement unit of the Eastern Alps, exposed in the proximity of the Periadriatic fault. Ultramafic rocks have experienced a complex metamorphic history. On the basis of petrochemical data, garnet peridotites could have been derived from depleted mantle rocks that were subsequently metasomatized by melts and/or fluids either in the plagioclase‐peridotite or the spinel‐peridotite field. At least four stages of recrystallization have been identified in the garnet peridotites based on an analysis of reaction textures and mineral compositions. Stage I was most probably a spinel peridotite stage, as inferred from the presence of chromian spinel and aluminous pyroxenes. Stage II is a UHPM stage defined by the assemblage garnet + olivine + low‐Al orthopyroxene + clinopyroxene + Cr‐spinel. Garnet formed as exsolutions from clinopyroxene, coronas around Cr‐spinel, and porphyroblasts. Stage III is a decompression stage, manifested by the formation of kelyphitic rims of high‐Al orthopyroxene, aluminous spinel, diopside and pargasitic hornblende replacing garnet. Stage IV is represented by the formation of tremolitic amphibole, chlorite, serpentine and talc. Geothermobarometric calculations using (i) garnet‐olivine and garnet‐orthopyroxene Fe‐Mg exchange thermometers and (ii) the Al‐in‐orthopyroxene barometer indicate that the peak of metamorphism (stage II) occurred at conditions of around 900 °C and 4 GPa. These results suggest that garnet peridotites in the Pohorje Mountains experienced UHPM during the Cretaceous orogeny. We propose that UHPM resulted from deep subduction of continental crust, which incorporated mantle peridotites from the upper plate, in an intracontinental subduction zone. Sinking of the overlying mantle and lower crustal wedge into the asthenosphere (slab extraction) caused the main stage of unroofing of the UHP rocks during the Upper Cretaceous. Final exhumation was achieved by Miocene extensional core complex formation. 相似文献
12.
ALESSANDRA SPADAFORA EDOARDO PERRI† JUDITH A. MCKENZIE CRISÓGONO VASCONCELOS Associate Editor: Gert-Jan Reichart 《Sedimentology》2010,57(1):27-40
Modern Ca:Mg carbonate stromatolites form in association with the microbial mat in the hypersaline coastal lagoon, Lagoa Vermelha (Brazil). The stromatolites, although showing diversified fabrics characterized by thin or crude lamination and/or thrombolitic clotting, exhibit a pervasive peloidal microfabric. The peloidal texture consists of dark, micritic aggregates of very high‐Mg calcite and/or Ca dolomite formed by an iso‐oriented assemblage of sub‐micron trigonal polyhedrons and organic matter. Limpid acicular crystals of aragonite arranged in spherulites surround these aggregates. Unlike the aragonite crystals, organic matter is present consistently in the dark, micritic carbonate comprising the peloids. This organic matter is observed as sub‐micron flat and filamentous mucus‐like structures inside the interspaces of the high‐Mg calcite and Ca dolomite crystals and is interpreted as the remains of degraded extracellular polymeric substances. Moreover, many fossilized bacterial cells are associated strictly with both carbonate phases. These cells consist mainly of 0·2 to 4 μm in diameter, sub‐spherical, rod‐like and filamentous forms, isolated or in colony‐like clusters. The co‐existence of fossil extracellular polymeric substances and bacterial bodies, associated with the polyhedrons of Ca:Mg carbonate, implies that the organic matter and microbial metabolism played a fundamental role in the precipitation of the minerals that form the peloids. By contrast, the lack of extracellular polymeric substances in the aragonitic phase indicates an additional precipitation mechanism. The complex processes that induce mineral precipitation in the modern Lagoa Vermelha microbial mat appear to be recorded in the studied lithified stromatolites. Sub‐micron polyhedral crystal formation of high‐Mg calcite and/or Ca dolomite results from the coalescence of carbonate nanoglobules around degraded organic matter nuclei. Sub‐micron polyhedral crystals aggregate to form larger ovoidal crystals that constitute peloids. Subsequent precipitation of aragonitic spherulites around peloids occurs as micro‐environmental water conditions around the peloids change. 相似文献
13.
橄榄岩中尖晶石化学成分分带的机理及其地质意义 总被引：1，自引：1，他引：1
橄榄岩中尖晶石的化学成分分带显示，在由温度降低引起的亚固相平衡过程中，与橄榄石及斜方辉石相邻的尖晶石边缘贫Mg和Al、富Fe和Cr，而与单斜辉石相邻的尖晶石边线相反。尖晶石的Fe和Mg分带为其他矿物的粒间Fe－Mg离子扩散所致；尖晶石中的Cr和Al分带则是尖晶石晶体内部Cr－Al离子的交互扩散所致。本文从热力学理论角度说明了尖晶石晶体内部的Cr－Al交互扩散受其Fe－Mg分带的控制；从热力学计算证明了尖晶石内Al必须从富Fe处向富Mg处扩散，解释了尖晶石中Mg和Al及Fe和Cr分带的一致性。 相似文献
14.
Prasanta Kumar NAYAK Birendra Kumar MOHAPATRA Prem Prakash SINGH Ranjit Kumar MARTHA 《Resource Geology》2011,61(3):281-289
Banded iron formation (BIF) comprising high grade iron ore are exposed in Gorumahisani‐Sulaipat‐Badampahar belt in the east of North Orissa Craton, India. The ores are multiply deformed and metamorphosed to amphibolite facies. The mineral assemblage in the BIF comprises grunerite, magnetite/martite/goethite and quartz. Relict carbonate phases are sometimes noticed within thick iron mesobands. Grunerite crystals exhibit needles to fibrous lamellae and platy form or often sheaf‐like aggregates in linear and radial arrangement. Accicular grunerite also occur within intergranular space of magnetite/martite. Grunerite needles/accicules show higher reflectivity in chert mesoband and matching reflectance with that of adjacent magnetite/martite in iron mesoband. Some grunerite lamellae sinter into micron size magnetite platelets. This grunerite has high ferrous oxide and cobalt oxide content but is low in Mg‐ and Mn‐oxide compared to the ones, reported from BIFs, of Western Australia, Nigeria, France, USA and Quebec. The protolith of this BIF is considered to be carbonate containing sediments, with high concentrations of Fe and Si but lower contents of cobalt and chromium ± Mg, Mn and Ni. During submarine weathering quartz, sheet silicate (greenalite) and Fe‐Co‐Cr (Mg‐Mn‐Ni)‐carbonate solid solution were formed. At the outset of the regional metamorphic episode grunerite, euhedral magnetite and recrystalized quartz were developed. Magnetite was grown at the expense of carbonate and later martitized under post‐metamorphic conditions. With the increasing grade of metamorphism greenalite transformed to grunerite. 相似文献
15.
《International Geology Review》2012,54(15):1940-1974
Experimental synthesis of spinel peridotite phase assemblages for a range of compositions that mimic natural samples is used to derive a set of empirical geothermometers and geothermobarometers represented by multiple linear regression best-fit surfaces that link the variables of temperature, pressure, and composition. The calibrated geothermometers use reactions that govern the solubility of Al and Cr in both pyroxenes and the Mg–Fe exchange between silicates and spinel. Geothermobarometers map the Mg–Fe exchange between coexisting olivine and clinopyroxene and pyroxenes and Ca–Mg exchange between coexisting pyroxenes. Application of the geothermometers and geothermobarometers to suites of naturally occurring samples indicates that while reactions governing the Cr and Al solubility and solvus of orthopyroxene give useful estimates of ‘original’ mantle temperatures and pressures, respectively, comparable reactions for clinopyroxene yield estimates that are variably dependent on the transport phase of the sample suites. Temperature and pressure estimates from reactions governing Mg and Fe exchange between silicates and spinel and coexisting silicates are all sensitive to the later transport stage of the samples. 相似文献
16.
Behavior of Siderophile and Chalcophile Elements in the Subcontinental Lithospheric Mantle beneath the Changbaishan Volcano,NE China 总被引：1，自引：0，他引：1
The mantle xenoliths in the Quaternary ChangbaishanVolcano in southern Jilin Province contain spinel-facies lherzolites. The equilibration temperatures for these samples range from 902oC to 1064oC based on the two-pyroxene thermometer of Brey and K?hler (1990), and using the oxybarometry of Nell and Wood (1991), the oxidation state was estimated from FMQ-1.32 to -0.38 with an average value of FMQ-0.81 (n?=?8), which is comparable to that of abyssal peridotites and the asthenospheric mantle. The fO2 values of peridotites, together with their bulk rock compositions (e.g., Mg#, Al2O3, CaO, Ni, Co, Cr) and mineral compositions (e.g., Mg# of olivine and pyroxene, Cr# [=Cr/[Cr+Al]] and Mg# [=Mg/[Mg+Fe2+] of spinel), suggest that the present-day subcontinental lithospheric mantle (SCLM) beneath the Changbaishan Volcano most likely formed from an upwelling asthenosphere at some time after the late Mesozoic and has undergone a low degree of partial melting. The studied lherzolite xenoliths show low concentrations of S, Cu, and platinum group elements (PGE), which plot a flat pattern on primitive-mantle normalized diagram. Very low concentrations in our samples suggest that PGEs occur as alloys or hosted by silicate and oxide minerals. The compositions of the studied samples are similar to those of peridotite xenoliths in the Longgang volcanic field (LVF) in their mineralogy and bulk rock compositions including the abundance of chalcophile and siderophile elements. However, they are distinctly different from those of peridotite xenoliths in other areas of the North China Craton (NCC) in terms of Cu, S and PGE. Our data suggest that the SCLM underlying the northeastern part of the NCC may represent a distinct unit of the newly formed lithospheric mantle. 相似文献
17.
The Bulqiza ultmafic massif, which belongs to the eastern Mirdita ophiolite of northern Albania, is world renowned for its high‐Cr chromite resource. The high‐Cr chromitites commonly host in the mantle section, while high‐Al chromitites also present in massive dunite of the mantle‐crust transition zone (MTZ) in this massif. Chromian‐spinel in the MTZ high‐Al chromitites and MTZ dunites have much lower Cr# values [Cr/(Cr+Al)×100] (47.7–55.1 and 46.5–51.7, respectively) than those of chromian‐spinel in the high‐Cr chromitites (78.2–80.4), harzburgites (72.6–77.9) and mantle dunites (79.4–84.3). The high‐Cr chromitites are rich in IPGE relative to PPGE with 0.10–0.45 PPGE/IPGE ratios, whereas the high‐Al chromitites have higher PPGE/IPGE ratios between 1.20 and 7.80. The partial melting degrees of parental magmas for the high‐Cr chromitites are beyond the critical interval (> 25%) and thus prevented sulfide saturation and diluted Pt and Pd in melts, producing high‐Cr chromitites barren of Pt and Pd. However, the degrees for the high‐Al chromitites just enter the critical interval (20–25%) for the effective extraction of PGE from mantle sulfides, which may account for the enrichments of PPGE in high‐Al chromitites. The parental melts of the high‐Cr chromitites have Al2O3 and TiO2 contents of ～10.6–11.4 wt.% and 0.14–0.31 wt.%, whereas the calculated Al2O3 and TiO2 for the high‐Al chromitites are ～14.9–15.9 wt.% and 0.07–0.61 wt.%, respectively. The calculated melts in equilibrium with the high‐Cr chromitites are boninitic‐like, and those with high‐Al chromitites are MORB‐like but with hydrous, oxidized and TiO2‐poor affinities. To make a compromise between the inconsistence above, we proposed that coexistence of both types of chromitites in the Bulqiza ultramafic massif may reflect that their magma compositions transited from MORB‐like to boninitic‐like in a proto‐forearc setting during subduction initiation. Key words: Chromian‐spinel, Platinum‐group elements, high‐Cr and high‐Al chromitite, Mirdita ophiolite, Albania. 相似文献
18.
19.
Masanori Matsui 《Physics and Chemistry of Minerals》1996,23(6):345-353
Molecular dynamics (MD) simulations have been used to calculate the structures and bulk moduli of crystals in the system CaO-MgO-Al2O3-SiO2 (CMAS) using an interatomic potential model (CMAS94), which is composed of pairwise additive Coulomb, van der Waals, and repulsive interactions. The crystals studied, total of 27, include oxides, Mg meta- and ortho-silicates, Al garnets, and various Ca or Al bearing silicates, with the coordination number of cations ranging 6 to 12 for Ca, 4 to 12 for Mg, 4 to 6 for Al, and 4 and 6 for Si. In spite of the simplicity of the CMAS94 potential and the diversity of the structural types treated, MD simulations are quite satisfactory in reproducing well the observed structural data, including the crystal symmetries, lattice parameters, and average and individual nearest neighbour Ca-O, Mg-O, Al-O, and Si-O distances. In addition MD simulated bulk moduli of crystals in the CMAS system compare well with the observed values. 相似文献
20.
Klaus Peter Jochum Dieter Garbe‐Schnberg Marina Veter Brigitte Stoll Ulrike Weis Michael Weber Federico Lugli Anna Jentzen Ralf Schiebel Jasper A. Wassenburg Dorrit E. Jacob Gerald H. Haug 《Geostandards and Geoanalytical Research》2019,43(4):595-609
Homogeneity, mass fractions of about forty trace elements and Sr isotope composition of Ca carbonate reference materials (RMs) between original and nano‐powdered pellets are compared. Our results using nanosecond and femtosecond LA‐(MC)‐ICP‐MS show that the nano‐pellets of the RMs MACS‐3NP, JCp‐1NP and JCt‐1NP are about a factor of 2–3 more homogeneous than the original samples MACS‐3, JCp‐1 and JCt‐1, and are therefore much more suitable for microanalytical purposes. With the exception of Si, the mass fractions of the synthetic RM MACS‐3 agree with its fine‐grained analogue MACS‐3NP. Very small, but significant, differences between original and nano‐pellets are observed in the RMs JCp‐1 and JCt‐1 for some trace elements with very low contents, indicating the need for re‐certification. Strontium mass fractions in the analysed RMs are high (1500–7000 mg kg?1), and their isotope compositions determined by LA‐MC‐ICP‐MS in the original and the nano‐pellets agree within uncertainty limits. 相似文献