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At least 595 records · Page 33

Production of Carbon Nanomaterials and Sorbents from Domestic U.S. Coal (Final Report)

The main goal of this project was to produce high-value carbon nanomaterials and carbon sorbents from domestic coal resources in a cost-effective manner. Four types of domestic coal samples were processed through a combination of deashing, devolatilization, oxidation, reduction, and activation treatments to produce graphene oxide (GO), reduced graphene oxide (RGO), and activated carbon (AC). The precursors and developed materials were extensively characterized by various methods to investigate the impact of the coal feedstock type on the yield and quality of each product. A commercial graphite-based GO sample was included in the experimental work as the baseline material for comparison with the coal-based materials developed in this work. The performed work also included a technoeconomic analysis and cost estimation for a plant processing 20 tons/day coal, a market evaluation for the graphene materials, and a technology gap analysis. A simple process by concentrated nitric acid oxidation is used to oxidize coal precursors for the production of GO. Fine oxidized coal particles that were separated from larger oxidized coal particles had significantly higher oxygen contents and were identified as coal-based GO samples. Coarse oxidized coal particles were used as precursors for production of AC. Based on the Raman spectroscopy results, coal-based GO samples exhibited G and D bands similar to those of graphite-based GO samples. X-ray photoelectron spectroscopy revealed that coal-based GO samples had surface oxygen contents of ~26-35% that were higher than the oxygen contents of graphite-based GO samples. Larger particles of oxidized coal samples were activated under different conditions to produce high surface area functionalized AC. Prepared materials had surface areas exceeding 1,500 m 2 /g and pore volumes more than 1 cm 3 /g with different pore size distributions. Reduced graphene oxide samples were prepared by thermal reduction of both coal-based and graphite-based GO samples at 170-2800 ºC. Coal-based and graphite-based RGO samples exhibited similar carbon contents, Raman spectra, and XRD profiles. Heat treatment above 1500 ºC shifted RGO to synthetic graphite. Among anthracite, bituminous, subbituminous, and lignite coals tested, anthracite was the best precursor to produce carbon nanomaterials exhibiting properties similar to those of graphite-based materials. Anthracite-based carbon nanomaterials also had the highest production yields. Technoeconomic analysis estimated the production cost of GO and RGO for anthracite-based samples at about 2,600 and 4,200 $/ton, respectively, which is about two orders of magnitude lower than the current estimated price of graphite-based materials. Several gaps to further develop the proposed technology were identified and discussed that include process and equipment optimization, process integration, need for additional bench- and pilot-scale experiments, and other items to reduce the scale up risk. Market analysis reports suggested a compound annual growth rate of 40% for graphene and related materials. Short-term applications include composites, inks, and coatings. However, energy storage applications appear to be the dominant potential long-term applications. Different applications of coal-based GO and RGO need to be explored and clear metrics and standards for each application need to be developed.

01 COAL, LIGNITE, AND PEAT↗

Space radiation effects on an elastomer-toughened epoxy-graphite composite

An elastomer-toughened epoxy-graphite composite system (CE339/T300) was evaluated for its potential durability in the space radiation environment. The physical and chemical response of this system was characterized following exposure to radiation doses equivalent to 20 to 30 years in geosynchronous orbit using 1 MeV electrons. The results show that electrons generate extensive crosslinking and embrittlement of the matrix. This embrittlement results in chemical and mechanical property changes that would limit the service life of this epoxy system in some space structure applications.

Sykes, G. F.↗

Nanotube Activities at NASA-Johnson Space Center

Nanotube activities at NASA-Johnson Space Center include production, purification, characterization as well as applications of single wall carbon nanotubes (SWCNTs). A parametric study of the pulsed laser ablation process is recently completed to monitor the effect of production parameters including temperature, buffer gas, flow rate, pressure, and laser fluence. Enhancement of production is achieved by rastering the graphite target and by increasing the target surface temperature with a cw laser. In-situ diagnostics during production included time resolved passive emission and laser induced fluorescence from the plume. The improvement of the purity by a variety of steps in the purification process is monitored by characterization techniques including SEM, TEM, Raman, UV-VIS-NIR and TGA. A recently established NASA-JSC protocol for SWCNT characterization is undergoing revision with feedback from nanotube community. Efforts at JSC over the past five years in composites have centered on structural polymer/nanotube systems. Recent activities broadened this focus to multifunctional materials, supercapacitors, fuel cells, regenerable CO2 absorbers, electromagnetic shielding, radiation dosimetry and thermal management systems of interest for human space flight. Preliminary tests indicate improvement of performance in most of these applications because of the large Surface area as well as high electrical and thermal conductivity exhibited by SWCNTs. Comparison with existing technologies and possible future improvements in the SWCNT materials sill be presented.

Arepalli, Sivaram↗

AGC-2 Disassembly Report

The Next Generation Nuclear Plant (NGNP) Graphite Research and Development (R&D) Program is currently measuring irradiated material properties for predicting the behavior and operating performance of new nuclear graphite grades available for use within the cores of new very high temperature reactor designs. The Advanced Graphite Creep (AGC) experiment, consisting of six irradiation capsules, will generate irradiated graphite performance data for NGNP reactor operating conditions. The AGC experiment is designed to determine the changes to specific material properties such as thermal diffusivity, thermal expansion, elastic modulus, mechanical strength, irradiation induced dimensional change rate, and irradiation creep for a wide variety of nuclear grade graphite types over a range of high temperature, and moderate doses. A series of six capsules containing graphite test specimens will be used to expose graphite test samples to a dose range from 1 to 7 dpa at three different temperatures (600, 900, and 1200°C) as described in the Graphite Technology Development Plan. Since irradiation induced creep within graphite components is considered critical to determining the operational life of the graphite core, some of the samples will also be exposed to an applied load to determine the creep rate for each graphite type under both temperature and neutron flux. All six AGC capsules in the experiment will be irradiated in the Advanced Test Reactor (ATR). AGC-1 and AGC-2 will be irradiated in the south flux trap and AGC-3–AGC-6 will be irradiated in the east flux trap. The change in flux traps is due to NGNP irradiation priorities requiring the AGC experiment to be moved to accommodate Fuel irradiation experiments. After irradiation, all six AGC capsules will be cooled in the ATR Canal, sized for shipment, and shipped to the Materials and Fuels Complex (MFC) where the capsule will be disassembled in the Hot Fuel Examination Facility (HFEF). During disassembly, the metallic capsule will be machined open and the individual samples removed from the interior graphite body containing the samples. Samples removed from the capsule will be loaded in a shipping drum and shipped to the Idaho National Laboratory (INL) Research Center (IRC) for initial post-irradiation examination (PIE) and storage for any future testing at the newly completed Carbon Characterization Laboratory (CCL). All work was performed under an ASME NQA-1-2008;1a-2009 compliant quality assurance program.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

AGC-1 PIE Experimental Plan

Here we report the Post-Irradiation Examination planned for the AGC-1 creep samples. The key data obtained for each grade of graphite included in the AGC-1capsule are dimension, volume, mass and density changes, creep strain, electrical resistivity, Elastic constants (E, G, υ) from sonic velocity, dynamic modulus (from fundamental frequency of vibration), coefficient of thermal expansion, microstructural characterization, and fracture strength. The effect of creep strain on the above properties will be determined. These data are critical to the design of the Next Generation Nuclear Plant. Moreover, the data supports ongoing work in the area of model development, e.g., irradiation effects models such as dimensional change. The data will be used to help underpin the existing American Society of Mechanical Engineers (ASME) design code for graphite core components.

36 MATERIALS SCIENCE↗

Gelatin/graphene systems for low cost energy storage

In this work, we introduce the possibility to use a low cost, biodegradable material for temporary energy storage devices. Here, we report the use of biologically derived organic electrodes composed of gelatin ad graphene. The graphene was obtained by mild sonication in a mixture of volatile solvents of natural graphite flakes and subsequent centrifugation. The presence of exfoliated graphene sheets was detected by atomic force microscopy (AFM) and Raman spectroscopy. The homogeneous dispersion in gelatin demonstrates a good compatibility between the gelatin molecules and the graphene particles. The electrical characterization of the resulting nanocomposites suggests the possible applications as materials for transient, low cost energy storage device.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Hypervelocity impact survivability experiments for carbonaceous impactors

We performed a series of hypervelocity impact experiments using carbon-bearing impactors (diamond, graphite, fullerenes, phthalic acid crystals, and Murchison meteorite) into Al plate at velocities between 4.2 and 6.1 km/s. These tests were made to do the following: (1) determine the survivability of carbon forms and organize molecules in low hypervelocity impact; (2) characterize carbonaceous impactor residues; and (3) determine whether or not fullerenes could form from carbonaceous impactors, under our experimental conditions, or survive as impactors. An analytical protocol of field emission SEM imagery, SEM-EDX, laser Raman spectroscopy, single and 2-stage laser mass spectrometry, and laser induced fluorescence (LIF) found the following: (1) diamonds did not survive impact at 4.8 km/s, but were transformed into various forms of disordered graphite; (2) intact, well-ordered graphite impactors did survive impact at 5.9 km/sec, but were only found in the crater bottom centers; the degree of impact-induced disorder in the graphite increases outward (walls, rims, ejecta); (3) phthalic acid crystals were destroyed on impact (at 4.2 km/s, although a large proportion of phthalic acid molecules did survive impact); (4) fullerenes did not form as products of carbonaceous impactors (5.9 - 6.1 km/s, fullerene impactor molecules mostly survived impact at 5.9 km/s; and (5) two Murchison meteorite samples (launched at 4.8 and 5.9 km/s) show preservation of some higher mass polycyclic aromatic hydrocarbons (PAHs) compared with the non-impacted sample. Each impactor type shows unique impactor residue morphologies produced at a given impact velocity. An expanded methodology is presented to announce relatively new analytical techniques together with innovative modifications to other methods that can be used to characterize small impact residues in LDEF craters, in addition to other acquired extraterrestrial samples.

Bunch, T. E.↗

Advanced Materials Characterization and Processing of Gen II Materials Based Lithium Ion Battery

The purpose of this Cooperative Research and Development Agreement (CRADA) between Oak Ridge National Laboratory (ORNL) and Dow Kokam, LLC was to investigate the microstructure and materials processing on long-term performance of Dow Kokam’s Gen II anodes and cathodes for lithium ion batteries. The findings were implemented into Dow Kokam’s new U.S. based production line, which has a capacity of 600 MWh/yr in total battery output. A principal need for automotive energy storage applications is the ability of the battery pack to satisfy a 10-15 year calendar life in addition to improved safety, high charge-discharge rate capability, high energy density, and high power density. Current cathode chemistries such as those based on LiNixMnyCo1-x-yO2 (NMC) metal oxides are limited to approximately 1500 cycles (or 5-7 year equivalent automotive calendar life). Dow Kokam Gen II technology has shown a 2× cycle life over conventional NMC based materials, while also improving by similar metrics the charge-discharge limits. The impact of this improvement is significant in terms of launching pure electric vehicles and plug-in hybrid electric vehicles with lifetimes comparable to those of the traditional IC engine. However, in order to scale the technology and achieve substantial market penetration, the electrode structure and processing based on the new Gen II material in comparison to that of the traditional NMC needs to be better understood. As the microstructure and chemistry of the new electrode type have been elucidated by this project, scaling and mass production has become the focus. Electrode dispersion formulations, coating parameters, and methods of energy savings were subsequently investigated. The capabilities of ORNL were implemented to assist in these efforts in terms of quality control, materials characterization, and electrochemical testing. Dow Kokam provided raw materials and electrodes, as well as background IP and technical expertise. The current state-of-the-art for NMC cathode durability is 1500 cycles to 100% depth of discharge (DOD) at 1C/-1C charge/discharge rates. This cycle lifetime only satisfies about half of the lifetime requirement for plug-in hybrid electric vehicles (PHEVs) and electric vehicles (EVs). Dow Kokam’s Gen II modified NMC cathode increases cycle life by 2×, depending on the charge/discharge rates, and will be capable of meeting the full 15 year lifetime once scaled to mass production. This improvement will allow PHEV and EV manufacturers to use only one battery pack per vehicle and will result in approximately 50% reduction in energy required to produce battery packs on a per vehicle basis. This further translates into a significantly reduced cost of ownership for PHEVs and EVs based on lithium ion battery technology. However, the chemical and microstructural changes of the modified Gen II anodes and cathodes during long-term operation are not well understood, as well as the effects of the starting material modifications to anode and cathode active material performance (i.e., nanoscale coatings deposited on the surfaces of graphite and NMC). Effects of processing variables related to mixing and coating of the electrode materials on cell performance and durability were also studied. To supplement these materials characterization and processing variable experiments, thorough electrochemical testing was completed by Dow Kokam.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Advancing neutron diffraction for accurate structural measurement of light elements at megabar pressures

Over the last 60 years, the diamond anvil cell (DAC) has emerged as the tool of choice in high pressure science because materials can be studied at megabar pressures using X-ray and spectroscopic probes. In contrast, the pressure range for neutron diffraction has been limited due to low neutron flux even at the strongest sources and the resulting large sample sizes. Here, we introduce a neutron DAC that enables break-out of the previously limited pressure range. Key elements are ball-bearing guides for improved mechanical stability, gem-quality synthetic diamonds with novel anvil support and improved in-seat collimation. We demonstrate a pressure record of 1.15 Mbar and crystallographic analysis at 1 Mbar on the example of nickel. Additionally, insights into the phase behavior of graphite to 0.5 Mbar are described. These technical and analytical developments will further allow structural studies on low-Z materials that are difficult to characterize by X-rays.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Beneficial Effect of Li 5 FeO 4 Lithium Source for Li-Ion Batteries with a Layered NMC Cathode and Si Anode

The energy density of lithium-ion batteries can be increased by replacing the traditional graphite anode with a high capacity silicon anode. However, volume changes and interfacial instabilities cause a large irreversible capacity and a continual loss of lithium during cycling, which lead to rapid capacity loss. In this work, we add Li 5 FeO 4 (LFO) to a LiNi 0.5 Mn 0.3 Co 0.2 O 2 (NMC) cathode as a pre-lithiation additive, which increases the lithium inventory and extends the cycle life of Si-graphite/NMC full cells, and decreases the NMC particle degradation. LFO delivers a large 764 mAh g –1 LFO capacity below 4.7 V vs Li/Li + . By tuning the LFO content in Si-graphite/LFO-NMC full cells, we show higher capacity, improved retention, lower impedance, and superior rate performance compared to full cells without LFO. Post-test characterizations demonstrate that LFO inclusion in the cathode matrix leads to less NMC secondary particle segregation/cracking and a thinner surface reduced layer on the NMC particles. The beneficial effects of LFO endure after the lithium reserve has been exhausted, highlighting a lasting synergy between the lithium source and electrode active materials. This study introduces a new approach to simultaneously increase lithium inventory and reduce cathode degradation, and makes critical advances toward enabling Si anodes for lithium-ion batteries.

25 ENERGY STORAGE↗

Data Compilation for AGR-3/4 Matrix Ring Blank Lot RDKRS. Revision 1

This document is a compilation of compacting and characterization data for the matrix ring blank lot RDKRS. These ring blanks were made using Hexion Durite SC-1008 resin mixed with natural and synthetic graphite flake. The 26 mm diameter, 63 mm long solid cylindrical ring blanks were shipped from Oak Ridge National Laboratory (ORNL) to Idaho National Laboratory (INL) for machining and insertion into the Advanced Gas Reactor Fuel Development and Qualification (AGR) program’s third irradiation test (AGR-3/4).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Composite material characterization for large space structures.

A program phase to characterize advanced composite materials for a large reflector support truss on the ATS F & G spacecraft is described. The selection of a Hercules Incorporated, 2002M graphite fiber reinforced epoxy material was based on criteria of spacecraft system requirements and the potential of this material to meet these requirements. The objective of this phase was to develop materials data required for development, design, fabrication, test, and flight of a graphite-fiber, reinforced-plastic spacecraft structure. Testing within a temperature range from -300 F to +200 F covered the generation of data for physical, mechanical, thermophysical, and space environmental properties for the selected material. Additional testing covered adhesive bonded joint materials within the temperature ranges of the spacecraft environment. Descriptions of the spacecraft, reflector support truss, design, requirements, materials, tests, and developed data are presented.

Macneill, C. E.↗

Fully Coupled Aero-Thermochemical-Elastic Simulations of an Eroding Graphite Nozzle

A multiphysics simulation capability has been developed that incorporates mutual interactions between aerodynamics, structural response from aero/thermal loading, ablation/pyrolysis, heating, and surface-to-surface radiation to perform high-fidelity, fully coupled aerothermoelastic ablation simulations, which to date had been unattainable. The multiphysics framework couples CHAR (a 3-D implicit charring ablator solver), Loci/CHEM (a computational fluid dynamics solver for high-speed chemically reacting flows), and Abaqus (a nonlinear structural dynamics solver) to create a fully coupled aerothermoelastic charring ablative solver. The solvers are tightly coupled in a fully integrated fashion to resolve the effects of the ablation pyrolysis and charring process and chemistry products upon the flow field, the changes in surface geometry due to recession upon the flow field, and thermal-structural analysis of the body from the induced aerodynamic heating from the flow field. The multiphysics framework was successfully demonstrated on a solid rocket motor graphite nozzle erosion application. Comparisons were made with available experimental data that measured the throat erosion during the motor firing. The erosion data is well characterized, as the test rig was equipped with a windowed nozzle section for real-time X-ray radiography diagnostics of the instantaneous throat variations for deducing the instantaneous erosion rates. The nozzle initially undergoes a nozzle contraction due to thermal expansion before ablation effects are able to widen the throat. A series of parameters studies were conducted using the coupled simulation capability to determine the sensitivity of the nozzle erosion to different parameters. The parameter studies included the shape of the nozzle throat (flat versus rounded), the material properties, the effect of the choice of turbulence model, and the inclusion or exclusion of the mechanical thermal expansion. Overall, the predicted results match the experiment very well, and the predictions were able to bound the data within acceptable limits.

Blades, E. L.↗

Mega-electron-volt proton irradiation on supported and suspended graphene: A Raman spectroscopic layer dependent study

Graphene samples with 1, 2, and 4 layers and 1 + 1 folded bi-layers and graphite have been irradiated with 2 MeV protons at fluences ranging from 1 x 10{sup 15} to 6 x 10{sup 18} ions/cm{sup 2}. The samples were characterized using visible and UV Raman spectroscopy and Raman microscopy. The ion-induced defects were found to decrease with increasing number of layers. Graphene samples suspended over etched holes in SiO{sub 2} have been fabricated and used to investigate the influence of the substrate SiO{sub 2} for defect creation in graphene. While Raman vibrational modes at 1460 cm{sup -1} and 1555 cm{sup -1} have been observed in the visible Raman spectra of substantially damaged graphene samples, these modes were absent in the irradiated-suspended monolayer graphene.

36 MATERIALS SCIENCE↗

Preliminary waste management plan of European spallation

The European Spallation Source (ESS) is the European common effort in designing and building a next generation large-scale user facility for studies of the structure and dynamics of materials. The proposed schematic layout of the ESS facility is based on a linear driver (linac) directing the proton beam (5 MW of 2.5 GeV) of 2.8 ms long pulses with a 20 Hz on a tungsten target where neutrons are produced via spallation reactions. Further the neutrons will be moderated to thermal and sub-thermal energies in a couple of moderators placed around the target. The moderators feed 22 beamlines guiding the neutrons to the scattering instruments, mainly for neutron scattering research, as has been previously mentioned. The objective of this work is to develop a waste management plan for ESS facility. In this respect two important aspects are analyzed. First the present status of the problem is outlined as follow. Estimate types and quantities of waste that the ESS project will generate at different stages: commission, operation, decommissioning were derived using: i) precise Monte Carlo calculations ii) scaling the activity from the operation experience of the existing spallation source installations for waste such it is difficult to predict level of activation or for components of the facility in stage of the preconceptual model. Associated waste treatment/conditioning options and final disposal route were further analyzed in order to define the waste type and packet descriptions in agreement with Swedish regulations and policy. It was found that the compilation of completely new waste type descriptions for qualification of the ESS waste for disposal will be necessary. Particular attention was devoted to 'problematic waste' as Beryllium reflector, C-14 from graphite used as core zone of the beam-dump and collimators or waste arising from the purification systems of both Helium and water cooling circuits. Management of waste on ESS site: collection/segregation systems, characterization system, storage options, is also described. In the second step, the acquired information is used for planning and implementing actions involving all participants (ESS, treatment facility operator, disposal operator, regulatory body and other authorized authorities). (authors)

07 ISOTOPE AND RADIATION SOURCES↗

Microscopic and mesoscopic structural features of an activated carbon sample, prepared from sorghum via activation by phosphoric acid

Graphical abstract: Display Omitted Highlights: ► Preparation of a new activated carbon sample from sorghum. ► Characterization by adsorption/desorption methods. ► Determination of the structure by synchrotron X-ray diffraction. ► The sample is amorphous and contains distorted graphene fragments. ► A characteristic nanoscale distance is established from the radial distribution function. -- Abstract: An acidic chemical activation procedure has been used for preparing activated carbon with a surface area exceeding 1000 m{sup 2}/g from sorghum. In order to reveal structural features, synchrotron X-ray diffraction measurements have been performed. The structure of the material has been characterized by the total scattering structure factor and the radial distribution function describing short-range arrangement of atoms at distances of the order of a few atomic diameters as well as correlations at a longer scale, of the order of nanometers. The atomic arrangement has been found to be consistent with that of amorphous graphite-like carbon. As far as the mesoscopic structure is concerned, the presence of a characteristic distance is suggested on the basis of the clear nanometer scale oscillations of the radial distribution function, which distance may be assigned as the mesopore size in the material. It is suggested that the approach devized here may later be applied routinely for other activated carbon samples, too, for characterizing atomic and nanoscale order simultaneously.

36 MATERIALS SCIENCE↗

Coordinated Microstructural and Isotopic Characterization of Diamond Inclusions within the Kenna Ureilite

Introduction: The origin of diamonds in ureilitic meteorites, a major family of ultramafic achondrites, has long been debated, with various formation mechanisms inferred, including: 1) shock conversion of preexisting graphite due to a hypervelocity impact on the ureilite parent body [e.g., 1]; 2) vapor deposition during condensation of the solar nebula [e.g., 2]; or 3) static transformation in the mantle of a large planetesimal (>1000 km in diameter) [e.g., 3]. The Kenna ureilite is a 10.9 kg stone that was found in Kansas in 1972 and is dominantly composed of olivine and pigeonite (68% and 22% modal abundance, respectively), together with minor metal and carbon-rich regions. Within the carbon-rich domains researchers have identified microdiamonds up to ~10 µm in size [4]. Methods: Due to the proximity of the extremely hard microdiamonds with soft graphite and moderately hard silicates, achieving an appropriately flat surface for electron backscatter diffraction (EBSD) analysis has proven challenging. We have, therefore, employed a Hitachi ArBlade 5000 broad beam Ar ion milling system to prepare a sample with an adequately uniform surface flatness across the various minerals. The ion milling dramatically im-proved indexing of the EBSD patterns and facilitated high-resolution microstructural analysis of the carbon-rich domains. After microstructural EBSD analyses using an Oxford Symmetry detector we collected coordinated hy-perspectral cathodoluminescence (CL) analyses using a Gatan Monarc system mounted on a JEOL 7900F field emission (FE) scanning electron microscope at NASA Johnson Space Center. A focused ion beam (FIB) foil was extracted from a region of interest and analyzed using a JEOL 2500 FE scanning transmission electron microscope (STEM). In situ carbon and nitrogen isotopic analyses were collected from diamond-bearing domains using a Cameca NanoSIMS 50L at NASA JSC. Results: The carbon rich regions occur as tabular domains between polygonal olivine and pigeonite, and are composed of aggregates of micrometer-scale diamond with intermediate graphite, oxides and metal grains. Within the microdiamonds, {111} twins are abundant, many of which form ragged lamellae consistent with mechanical twinning. The microdiamond assemblages appear to pseudomorph tabular graphite habits, which together with the abundant deformation twins, support a shock transformation mechanism for microdiamond formation within the Kenna meteorite. Further supporting this observation, the diamond laths show close alignment of <111> and <110> between domains, consistent with a solid-state transformation from graphite along <0001> and <1-210>, respec-tively [5]. A FIB foil was extracted from a region with mechanical twins, and high resolution STEM analyses reveal cross-cutting veins of graphite and oriented kamacite crystals together with additional sets of {111} nano-twins formed in at least three orientations. Isotopic analyses of C and N reveal sector zoning patterns [cf. 3] that are unre-lated to the diamond substructure identified by EBSD yet consistent with hyperspectral CL images. Conclusions: These data provide new constraints on microdiamond formation within ureilites. The microdia-monds exhibit orientation variants defined by aligned <111> and <110> axes consistent with inherited crystallo-graphic orientations from transformation of a single hexagonal graphite parent crystal [5]. Crosscutting the micro-diamonds are veins of graphite and kamacite, together with additional {111} nanotwins. Taken together these data suggest that microdiamonds from ureilites formed from a solid state, diffusionless transformation from graphite, likely associated with a major shock event, which was subject to subsequent reversion either during decompression or a later deformation event. The N and C isotopic sector zoning is unrelated to diamond microstructures and likely reflects inheritance from the parent graphite crystal.

Ureilite↗

Structure Formation of Hexagonal Diamond: Ab Initio Calculations

The formation of structure of hexagonal diamond from graphite and cubic diamond is simulated with the density functional theory. Orthorhombic AB graphite transforms into hexagonal diamond under uniaxial compression at pressures above 61 GPa. The pressure should be higher than 57 GPa to form hexagonal diamond from AA graphite. Another possible way to obtain hexagonal diamond is uniaxial compression of cubic diamond under pressures from 300 to 380 GPa. The theoretical calculations were used to interpret the diffraction data obtained after X-ray diffraction and electron microscopic analysis of natural and synthetic diamond-like materials. We found that there are no crystals with ideal cubic and hexagonal structures in diamond-like carbon materials, and their structure is characterized by random packing of molecular layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗