Mineralogy and Geochemical Evolution of the Little Three
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Design and Discovery of New Piezoelectric Materials Using Density Functional Theory
DESIGN AND DISCOVERY OF NEW PIEZOELECTRIC MATERIALS USING DENSITY FUNCTIONAL THEORY by Sukriti Manna © Copyright by Sukriti Manna, 2018 All Rights Reserved A thesis submitted to the Faculty and the Board of Trustees of the Colorado School of Mines in partial fulfillment of the requirements for the degree of Doctor of Philosophy (Mechanical Engineering). Golden, Colorado Date Signed: Sukriti Manna Signed: Dr. Cristian V. Ciobanu Thesis Advisor Signed: Dr. Vladan Stevanovi´c Thesis Advisor Golden, Colorado Date Signed: Dr. John Berger Professor and Head Department of Mechanical Engineering ii ABSTRACT Piezoelectric materials find applications in microelectromechanical systems (MEMS), such as surface acoustic wave (SAW) resonators, radio frequency (RF) filters, resonators, and energy harvesters. Using density functional theory calculations, the present study illus- trates the influence of alloying and co-alloying with different nitrides on piezoelectric and mechanical properties of an existing piezoelectric material such as aluminum nitride (AlN). Besides improving the performance of existing piezoelectric material, a high-throughput screening method is used to discover new piezoelectric materials. AlN has several beneficial properties such as high temperature stability, low dielectric permittivity, high hardness, large stiffness constant, high sound velocity, and complementary metal-oxide-semiconductor (CMOS) compatibility. This makes it widely accepted material in RF and resonant devices. However, it remains a challenge to enhance the piezoelectric modulus of AlN. The first part of this thesis establishes that the piezoelectric modulus of AlN could be improved by alloying with rocksalt transition metal nitrides such as scandium nitride (ScN), yttrium nitride (YN), and chromium nitride (CrN). As the content of the rocksalt end member in the alloy increases, the accompanying structural frustration enables a greater piezoelectric response. -
The Anjahamiary Pegmatite, Fort Dauphin Area, Madagascar
The Anjahamiary pegmatite, Fort Dauphin area, Madagascar Federico Pezzotta* & Marc Jobin** * Museo Civico di Storia Naturale, Corso Venezia 55, I-20121 Milano, Italy. ** SOMEMA, BP 6018, Antananarivo 101, Madagascar. E-mail:<[email protected]> 21 February, 2003 INTRODUCTION Madagascar is among the most important areas in the world for the production, mainly in the past, of tourmaline (elbaite and liddicoatite) gemstones and mineral specimens. A large literature database documents the presence of a number of pegmatites rich in elbaite and liddicoatite. The pegmatites are mainly concentrated in central Madagascar, in a region including, from north to south, the areas of Tsiroanomandidy, Itasy, Antsirabe-Betafo, Ambositra, Ambatofinandrahana, Mandosonoro, Ikalamavony, Fenoarivo and Fianarantsoa (e.g. Pezzotta, 2001). In general, outside this large area, elbaite-liddicoatite-bearing pegmatites are rare and only minor discoveries have been made in the past. Nevertheless, some recent work made by the Malagasy company SOMEMEA, discovered a great potential for elbaite-liddicoatite gemstones and mineral specimens in a large, unusual pegmatite (the Anjahamiary pegmatite), hosted in high- metamorphic terrains. The Anjahamiary pegmatite lies in the Fort Dauphin (Tôlanaro) area, close to the southern coast of Madagascar. This paper reports a general description of this locality, and some preliminary results of the analytical studies of the accessory minerals collected at the mine. Among the most important analytical results is the presence of gemmy blue liddicoatite crystals with a very high Ca content, indicating the presence in this tourmaline crystal of composition near the liddicoatite end-member. LOCATION AND ACCESS The Anjahamiary pegmatite is located about 70 km NW of the town of Fort Dauphin (Tôlanaro) (Fig. -
Maine the Way Life Should Be. Mineral Collecting
MAINE The Way Life Should Be. Mineral Collecting The Maine Publicity Bureau, Inc. Quarries You May Visit # 1 Topsham: The Fisher Quarry is located off Route 24 in Topsham. This locale is best known for crystals of topaz, green microlite, and dark blue tourmaline. It has also produced other minerals such as beryl, uraninite and cassiterite. #2 Machiasport: At an area known as Jasper Beach there is an abundance of vari-colored jasper and/or rhyolite specimens. Located on Route 92. #3 Buckfield: The Bennett Quarry, located between Buckfield and Paris Hill, has produced fine specimens of blue and pink beryl including some gem material. It is also known for crystals of quartz, green tourmaline and rare minerals. #4 Casco: The Chute Prospect is best known for vesuvianite. It is located east of Route 302-35. Crystals of “cinnamon” garnet, quartz and pyrite are also found here. #5 Georgetown: The Consolidated Feldspar Quarry has produced excel lent specimens of gem citrine quartz, tourmaline and spodumene. Rose Quartz, cookeite and garnet are also found. #6 Paris: Mount Mica is world famous for tourmaline and this gem material was discovered here in 1821. This is one of the most likely places for a collector to find tourmaline. Mount Mica has produced a host of other minerals including beryl, cookeite, black tourmaline, colum- bite, lepidolite and garnet. (Currently being mined) #7 Greenwood: The Tamminen Quarry and the Harvard Quarry, both located near Route 219, have produced an interesting variety of miner als. The Tamminen Quarry is best known for pseudo-cubic quartz crystals, montmorillonite, spodumene and garnet. -
Origin of Color in Cuprian Elbaite from Sflo Jos6 De Batalha, Paraiba, Brazil
American Mineralogist, Volume 76, pages 1479-1484, I99I Origin of color in cuprian elbaite from Sflo Jos6 de Batalha, Paraiba, Brazil Gnoncn R. Rosslvr,tN Division of Geology and Planetary Sciences,l7O-25, California Institute of Technology, Pasadena,California 9l125, U.S.A Evrvrm.luel FnrrscH, J,lvrns E. Srncr.Bv GIA Research,Gemological Institute of America, 1660 Stewart Street,Santa Monica, California 90404-4088, U.S.A. Ansrn-q.cr Gem-quality elbaite from Paraiba, Brazil, containing up to 1.4 wt0i6Cu has been char- acterizedusing optical spectroscopyand crystal chemistry. The optical absorption spectra of Cu2t in these tourmalines consist of two bands with maxima in the 695- to 940-nm region that are more intense in the E I c direction. The vivid yellowish green to blue- greencolors of theseelbaite samplesarise primarily from Cu2*and are modified to violet- blue and violet hues by increasingabsorptions from Mn3*. IwrnooucrtoN in a small, decomposed granitic pegmatite (formerly quartz, The color of elbaite has hen extensively investigated. prospectedfor manganotantalite).The associated Most colors are determined by small amounts of transi- altered feldspar, and lepidolite have not been character- tion elements(Dietrich, 1985).In particular, blue to green ized. Most of the tourmalines occur as crystal fragments colors have been attributed to various processesinvolv- weighing less than a g.ram,although pieceslarge enough ing both Fe2*and Fe3*ions (Mattson and Rossman, 1987) to produce facetedgemstones up to 33 carats(6.6 g) have and Fe2*- Tia* chargetransfer (Mattson, as cited in Die- been found. In rare instances, small crystals are recov- trich, 1985, p. -
Examples from NYF Pegmatites of the Třebíč Pluton, Czech Republic
Journal of Geosciences, 65 (2020), 153–172 DOI: 10.3190/jgeosci.307 Original paper Beryllium minerals as monitors of geochemical evolution from magmatic to hydrothermal stage; examples from NYF pegmatites of the Třebíč Pluton, Czech Republic Adam ZACHAŘ*, Milan NOVÁK, Radek ŠKODA Department of Geological Sciences, Faculty of Sciences, Masaryk University, Kotlářská 2, Brno 611 37, Czech Republic; [email protected] * Corresponding author Mineral assemblages of primary and secondary Be-minerals were examined in intraplutonic euxenite-type NYF peg- matites of the Třebíč Pluton, Moldanubian Zone occurring between Třebíč and Vladislav south of the Třebíč fault. Primary magmatic Be-minerals crystallized mainly in massive pegmatite (paragenetic type I) including common beryl I, helvite-danalite I, and a rare phenakite I. Rare primary hydrothermal beryl II and phenakite II occur in miarolitic pockets (paragenetic type II). Secondary hydrothermal Be-minerals replaced primary precursors or filled fractures and secondary cavities, or they are associated with ,,adularia” and quartz (paragenetic type III). They include minerals of bohseite-ba- venite series, less abundant beryl III, bazzite III, helvite-danalite III, milarite-agakhanovite-(Y) III, phenakite III, and datolite-hingganite-(Y) III. Chemical composition of the individual minerals is characterized by elevated contents of Na, Cs, Mg, Fe, Sc in beryl I and II; Na, Ca, Mg, Fe, Al in bazzite III; REE in milarite-agakhanovite-(Y) III; variations in Fe/Mn in helvite-danalite and high variation of Al in bohseite-bavenite series. Replacement reactions of primary Be- -minerals are commonly complex and the sequence of crystallization of secondary Be-minerals is not defined; minerals of bohseite-bavenite series are mostly the latest. -
Organic Seminar Abstracts
L I B RA FLY OF THE U N IVERSITY OF 1LLI NOIS Q.54-1 Ii£s 1964/65 ,t.l P Return this book on or before the Latest Date stamped below. Theft, mutilation, and underlining of books are reasons for disciplinary action and may result in dismissal from the University. University of Illinois Library OCfcfcsrm L161— O-1096 Digitized by the Internet Archive in 2012 with funding from University of Illinois Urbana-Champaign http://archive.org/details/organicsemi1964651univ s ORGANIC SEMINAR ABSTRACTS 196^-65 Semester I Department of Chemistry and Chemical Engineering University of Illinois ' / SEMINAR TOPICS I Semester I96U-I965 f"/ ( Orientation in Sodium and Potassium Metalations of Aromatic Compounds Earl G. Alley 1 Structure of Cyclopropane Virgil Weiss 9 Vinylidenes and Vinylidenecarbenes Joseph C. Catlin 17 Diazene Intermediates James A. Bonham 25 Perfluoroalkyl and Polyfluoroalkyl Carbanions J. David Angerer 3^ Free Radical Additions to Allenes Raymond Feldt 43 The Structure and Biosynthesis of Quassin Richard A. Larson 52 The Decomposition of Perester Compounds Thomas Sharpe 61 The Reaction of Di-t -Butyl Peroxide with Simple Alkyl, Benzyl and Cyclic Ethers R. L. Keener 70 Rearrangements and Solvolysis in Some Allylic Systems Jack Timberlake 79 Longifolene QQ Michael A. Lintner 00 Hydrogenation ! Homogeneous Catalytic Robert Y. Ning 9° c c Total Synthesis of ( -) -Emetime R. Lambert 1* Paracyclophanes Ping C. Huang 112 Mechanism of the Thermal Rearrangement of Cyclopropane George Su 121 Some Recent Studies of the Photochemistry of Cross -Conjugated Cyclohexadienones Elizabeth McLeister 130 The Hammett Acidity Function R. P. Quirk 139 Homoaromaticity Roger A. -
The Challenges of Li Determination in Minerals: a Comparison of Stoichiometrically Determined Li by EPMA with Direct Measurement by LA-ICP-MS and Handheld LIBS
The challenges of Li determination in minerals: A comparison of stoichiometrically determined Li by EPMA with direct measurement by LA-ICP-MS and handheld LIBS Robin Armstrong (NHM) THE TEAM & ACKNOWLEDGEMENTS • This work was carried out as part of the WP2 of the FAME project • The “analysts”: John Spratt & Yannick Buret (NHM) and Andrew Somers (SciAps) • The “mineralogists”: Fernando Noronha &Violeta Ramos (UP), Mario Machado Leite (LNEG), Jens Anderson, Beth Simmons & Gavyn Rollinson (CSM), Chris Stanley, Alla Dolgopolova, Reimar Seltmann & Mike Rumsey* (NHM) • Literature mineral data is taken from Mindat, Webmineral and DHZ • Robin Armstrong ([email protected]) INTRODUCTION • The analytical problems of Li • Whole Rock analysis (WR) • Examples and is it safe to make mineralogical assumptions on the base of WR • Li Mineral analysis • Li-minerals overview • Li-minerals examined • EPMA • LA-ICP-MS • LIBS • Summary and thoughts for the future LITHIUM ORES ARE POTENTIALLY COMPLEX 50mm • Li-bearing phases identified: • Lepidolite, Amblygonite-Montebrasite Li = 1.17 wt% group, Lithiophosphate(tr) and Petalite WHOLE ROCK ANALYSIS (Li ASSAYS) • Li is not that straight forward to analyse in whole rock • Its low mass means that there are low fluorescence yields and long wave-length characteristic radiation rule out lab-based XRF and pXRF • We cannot use conventional fluxes as these are generally Li- based • We can use “older” non Li fluxes such as Na2O2 but then there maybe contamination issues in the instruments • We can use multi-acid digests (HF+HNO3+HClO4 digestion with HCl-leach) (FAME used the ALS ME-MS61) however there may still be contamination issues and potentially incomplete digestion. -
Lithium 2017
2017 Minerals Yearbook LITHIUM [ADVANCE RELEASE] U.S. Department of the Interior September 2020 U.S. Geological Survey Lithium By Brian W. Jaskula Domestic survey data and tables were prepared by Annie Hwang, statistical assistant. In the United States, one lithium brine operation with an cobalt oxide and 2,160 kg of lithium-nickel-cobalt-aluminum associated lithium carbonate plant operated in Silver Peak, oxide (Defense Logistics Agency Strategic Materials, 2017). At NV. Domestic and imported lithium carbonate, lithium yearend 2017, the NDS held 540 kg of lithium-cobalt oxide and chloride, and lithium hydroxide were consumed directly 1,620 kg of lithium-nickel-cobalt-aluminum oxide. in industrial applications and used as raw materials for downstream lithium compounds. In 2017, lithium consumption Production in the United States was estimated to be equivalent to The U.S. Geological Survey (USGS) collected domestic 3,000 metric tons (t) of elemental lithium (table 1) [16,000 t production data for lithium from a voluntary canvass of the of lithium carbonate equivalent (LCE)], primarily owing to only U.S. lithium carbonate producer, Rockwood Lithium Inc. demand for lithium-based battery, ceramic and glass, grease, (a subsidiary of Albemarle Corp. of Charlotte, NC). Production pharmaceutical, and polymer products. In 2017, the gross weight and stock data collected from Rockwood Lithium were withheld of lithium compounds imported into the United States increased from publication to avoid disclosing company proprietary data. by 7% and the gross weight of exports increased by 29% from The company’s 6,000-metric-ton-per-year (t/yr) Silver Peak those in 2016. -
Mineral Collecting Sites in North Carolina by W
.'.' .., Mineral Collecting Sites in North Carolina By W. F. Wilson and B. J. McKenzie RUTILE GUMMITE IN GARNET RUBY CORUNDUM GOLD TORBERNITE GARNET IN MICA ANATASE RUTILE AJTUNITE AND TORBERNITE THULITE AND PYRITE MONAZITE EMERALD CUPRITE SMOKY QUARTZ ZIRCON TORBERNITE ~/ UBRAR'l USE ONLV ,~O NOT REMOVE. fROM LIBRARY N. C. GEOLOGICAL SUHVEY Information Circular 24 Mineral Collecting Sites in North Carolina By W. F. Wilson and B. J. McKenzie Raleigh 1978 Second Printing 1980. Additional copies of this publication may be obtained from: North CarOlina Department of Natural Resources and Community Development Geological Survey Section P. O. Box 27687 ~ Raleigh. N. C. 27611 1823 --~- GEOLOGICAL SURVEY SECTION The Geological Survey Section shall, by law"...make such exami nation, survey, and mapping of the geology, mineralogy, and topo graphy of the state, including their industrial and economic utilization as it may consider necessary." In carrying out its duties under this law, the section promotes the wise conservation and use of mineral resources by industry, commerce, agriculture, and other governmental agencies for the general welfare of the citizens of North Carolina. The Section conducts a number of basic and applied research projects in environmental resource planning, mineral resource explora tion, mineral statistics, and systematic geologic mapping. Services constitute a major portion ofthe Sections's activities and include identi fying rock and mineral samples submitted by the citizens of the state and providing consulting services and specially prepared reports to other agencies that require geological information. The Geological Survey Section publishes results of research in a series of Bulletins, Economic Papers, Information Circulars, Educa tional Series, Geologic Maps, and Special Publications. -
Gem Crystal Surface Features Spherical Cultured Pearls Aquamarine
Gems&Jeweller y Spring 2012 / Volume 21 / No. 1 Gem crystal Spherical Aquamarine- surface features cultured pearls coloured glass The Gemmological Association of Great Britain MARCUS MCCALLUM FGA PRECIOUS STONES, BEADS & PEARLS A wide range of precious and semi-precious stones, beads and freshwater pearls, personally selected from around the world. Unusual stones a speciality. ROOM 27-31, NEW HOUSE 67-68 HATTON GARDEN, LONDON EC1N 8JY TELEPHONE: +44(0)20 7405 2169 FACSIMILE: +44(0)20 7405 9385 email:[email protected] www.marcusmccallum.com Gems&Jewellery / Spring 2012 / Volume 21 / No. 1 Gem-A CalendarEditorial Gems&Jewellery Winds of change This year is turning in to a busy one for Gem-A. As reported in Gem-A News and Views (page Spring 40), we have a lease renewal on our Greville Street premises which will lead to a thorough refurbishment — something which those of you who know the building will agree is much needed. This will provide an excellent opportunity to reinvigorate both our onsite teaching facilities and the services we can offer members. How can we afford this you may ask, when only a very few years 12 ago the Association was in poor health financially? The fact is that over the last few years we have run a very tight ship knowing we had these costs looming. We have focused on what we are good Contents at and the things which are the core aspects of our business. This has led to the ceasing of loss- making operations, such as the laboratory, and an increase in students and thus revenue from our education, though it must be qualified that this increase is from overseas rather than the UK. -
Kalenga Tite Mwepu a Dissertation Submitted in Partial Fulfillment of The
LITHIUM EXTRACTION FROM ZIMBABWEAN PETALITE WITH AMMONIUM BIFLUORIDE DIGESTION Kalenga Tite Mwepu A dissertation submitted in partial fulfillment of the requirements for the degree Master of Science in Applied Science (Chemical Technology) in the Department of Chemical Engineering, Faculty of Engineering, Built Environment and Information Technology. Supervisor: Prof. Philip Crouse Co-supervisor: Dr Salmon Lubbe February 2020 Declaration I, Kalenga Tite Mwepu, student No. 15261043, do hereby declare that this research is my original work and that it has not previously, in its entirety or in part, been submitted and is not currently being submitted, either in whole or in part, at any other university for a degree or diploma, and that all references are acknowledged. SIGNED on this ________________________ day of_____12/02______________ 2020. __________________ Kalenga Tite Mwepu ii Synopsis Lithium carbonate is the precursor for most other lithium compounds. The market demand for lithium is increasing because it is used for many applications such as the preparation of electrode material and electrolyte for lithium-ion batteries, for treatment of manic depression, production of electronic grade crystals of lithium niobate and tantalite, and preparation of battery-grade lithium metal. Previously reported methods of lithium extraction require high temperature calcination for phase transformation from α-spodumene into β-spodumene, that is energy consuming and costly. This step is required because of the higher chemical reactivity of β-spodumene. The objectives of this research were to investigate the viability of ammonium bifluoride digestion of the petalite concentrate from the Bikita deposits without the initial thermal conversion to β- spodumene, in order to produce a high purity lithium carbonate in a cost efficient way, and optimising the remaining process parameters of the full process. -
Chen Mines 0052E 11348.Pdf
UNDERSTANDING STRUCTURE-PROPERTY RELATIONS IN -EUCRYPTITE UNDER PRESSURE AND AT ELEVATED TEMPERATURE by Yachao Chen A thesis submitted to the faculty and the Board of Trustees of the Colorado School of Mines in partial fulfillment of the requirements for the degree of Doctor of Philosophy (Materials Science) Golden, Colorado Date: _______________________ Signed: _______________________ Yachao Chen Signed: _______________________ Dr. Ivar E. Reimanis Thesis Advisor Golden, Colorado Date: _______________________ Signed: _______________________ Dr. Angus Rockett Professor and Department Head Department of Metallurgical and Materials Engineering ii ABSTRACT -eucryptite (LiAlSiO4) has received widespread attention from both industry and academia due to its negative coefficient of thermal expansion (CTE) and one-dimensional Li ionic conductivity. Additionally, -eucryptite undergoes a pressure-induced phase transformation at relatively low pressures. These various behaviors arise because the crystal structure is open and highly anisotropic. The present study uses several experimental methods to better understand the relation between the structure and the electrical and mechanical behavior of -eucryptite. Synthesis and processing methods were developed to make pure -eucryptite and - eucryptite doped with Mg of varying particle sizes. In-situ diamond anvil cell - x-ray diffraction was performed to study the pressure induced phase transformation from -eucryptite to the high pressure phase -eucrypite. With the assistance of Rietveld refinement and atomistic modeling, the crystal structure of the -eucrypite was determined to be an orthorhombic with space group Pna21. This is the first time that both space group and atomic positions of the high pressure phase have been reported. It is also observed that Mg-doped -eucryptite undergoes the pressure induced transformation at slightly higher pressures than pure -eucryptite (2.47 GPa compared with 1.8 GPa hydrostatic stress), implying that Mg stabilizes -eucryptite.