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Wilding M.C.,Aberystwyth University | Wilson M.,University of Oxford | Benmore C.J.,Argonne National Laboratory | Weber J.K.R.,Materials Development, Inc. | McMillan P.F.,University College London
Physical Chemistry Chemical Physics | Year: 2013

Structural changes in liquids between Al2O3 and Y2O3 are investigated as a function of the composition and during supercooling using high energy X-ray diffraction (HEXRD) techniques combined with containerless aerodynamic levitation. Many-body molecular dynamics simulation techniques utilizing potential models that incorporate anion polarization effects are applied to study the same liquid systems. The X-ray scattering experiments indicate a change in liquid structure during supercooling around a composition 20% Y2O3 (AlY20) that occurs over a narrow temperature interval. We have associated this change in structure with the onset of a liquid-liquid phase transformation. Analysis of the MD simulated structures has allowed the structure changes to be interpreted in terms of Al3+ and Y3+ coordination environments and particularly the Y3+-Y3+ structural correlations. We show that the incipient liquid-liquid phase transition behaviour is correlated with local density fluctuations that represent different coordination polyhedra surrounding oxygen ions. The difference in energy and volume associated with this sampling of high and low density basins in the underlying energy landscape is consistent with independent verifications of the volume and enthalpy differences between different amorphous forms. The differences in the high- and low-density configurations match the difference in diffraction patterns observed experimentally. © 2013 The Owner Societies. Source


Saito Y.,Toyota Central Research and Development Laboratories Inc. | Saito Y.,Materials Development, Inc. | Takao H.,Toyota Central Research and Development Laboratories Inc.
Journal of Electroceramics | Year: 2010

Topochemical microcrystal conversion (TMC) method is a powerful tool to synthesize platelike microcrystal particles with a regular-perovskite crystal structure, which is difficult to be fabricated by conventional flux techniques. By using the TMC method, polycrystalline rectangular-platelike NaNbO3 particles with a orthorhombic perovskite structure were able to be synthesized from platelike precursor particles of layer-structured K4Nb 6O17 at 1000°C in molten NaCl-salt. The TMC-synthesized NaNbO3 particles preserved the shape of precursor particles, and had a thickness of about 1 micron and a width of 5-10 microns. However TMC-synthesized platelike NaNbO3 particles had a polycrystalline morphology having a preferred pseudo-cubic {100} orientation. Oriented particulate layer X-ray diffraction (OPL-XRD) analysis revealed that, during the TMC reaction, the crystallographic {010} plane of K 4Nb6O17 is converted to the most of {001} plane of polycrystalline NaNbO3 particles in spite of polycrystalline morphology. Using the polycrystalline platelike NaNbO3 particles as a template in the reactive templated grain growth method (RTGG), {001} grain-oriented (K0.5Na0.5)NbO3-1 mol% CuO ceramics having a {001} orientation degree (Logering's factor) of 45% could be fabricated. The result indicates that not only single crystalline particles, which were generally used, but also the polycrystalline particles can be act as template in the RTGG process. The availability of polycrystalline particles will give a new design of synthesizing templates for texturing of various kinds of perovskite crystal-structured ceramics. © 2008 Springer Science+Business Media, LLC. Source


Grant
Agency: Department of Energy | Branch: | Program: SBIR | Phase: Phase I | Award Amount: 100.00K | Year: 2010

In combination with advanced sample environments, the emerging generation of high flux neutron sources such as SNS provide an opportunity to revolutionize advanced materials research. Processing and solidifying liquids is a critical value adding step in manufacturing semiconductors, optical materials, metals and in the operation of many energy conversion and medical devices. Research on advanced materials is hampered by difficulty in accessing short-lived metastable states that play a crucial role in determining the material's ultimate structure and properties. This project will lead to development of a novel sample environment and event-based data processing technologies that will enable studies of materials under extreme conditions that relate to production of semiconductors, optical glasses, medical device materials and energy conversion materials. Research will be performed jointly by the small business and the Spallation Neutron Source at Oak Ridge National Laboratory. The proposed solution is to integrate a novel containerless sample environment and an event-based data acquisition system with a high flux neutron beam line. The R&D will: (i) evaluate instrument requirements, (ii) design and construct a test instrument that integrates an advanced containerless sample environment with a beamline, (iii) implement test experiments including event-based measurements, and (iv) analyze results and prepare a plan for development of the instrument that will be constructed, tested, and delivered in Phase II and offered for sale as a commercial research product. Commercial Applications and Other Benefits: The product of this R&D will be a beamline facility instrument that will be marketed by direct interaction with beamline customers. The proposed system has direct applications in neutron facilities such as SNS, HFIR, ISIS and other sources. The approach is also suitable for marketing to X-ray facilities where there are additional markets for instruments based on the proposed technology. Prior sales of extreme environment instruments has been several M$.


Grant
Agency: Department of Energy | Branch: | Program: SBIR | Phase: Phase II | Award Amount: 999.89K | Year: 2011

Research on advanced materials is hampered by difficulty in accessing short-lived metastable states that play a crucial role in determining the material & apos;s ultimate structure, properties and performance. In combination with advanced sample environments, DOEs high flux neutron sources such as SNS provide an opportunity to revolutionize advanced materials research by helping to understand how materials function during processing. The capability is valuable in developing competitive new materials for high value applications. The proposed solution is to integrate a novel containerless sample environment and an event-based data acquisition system with a high flux neutron beam line. The project is developing a novel sample environment and event-based data processing that enable studies of materials under extreme conditions that relate to production of semiconductors, optical glasses, medical device materials and energy conversion materials. Showed the technical feasibility of the proposed approach, made measurements using a test instrument and established technical basis for Phase II R & amp;D. Measurements were made in the lab and at SNS and discussions were held with potential customers to define critical design parameters. Optimize instrument design and performance, construct test instrument, investigate and refine operation to meet customer requirements. Work will include design analyses, laboratory and beamline experiments, and collaborative research with potential customers. Commercial Applications and Other Benefits: The product of this R & amp;D will be a new instrument that will be marketed by direct interaction with customers. The proposed system has applications in neutron facilities such as SNS, HFIR, ILL, ISIS and other sources. Prior sales of extreme environment instruments has been several M$.


Grant
Agency: Department of Health and Human Services | Branch: | Program: SBIR | Phase: Phase I | Award Amount: 138.93K | Year: 2013

DESCRIPTION (provided by applicant): Advanced Image Plates for Dental X-ray Diagnostics The proposed research and development project will enhance medical imaging technology for use in dental imaging. This overall objective provides an important opportunity to enhance the technical quality and patient experience in dental care. The RandD will investigate the use of high-resolution Transparent Storage Phosphor (TSP) materials in dental imaging applications. The work will include fabrication of image plates,testing and evaluation of imaging performance using phantoms and contrast test plates, and development of a detailed plan that will lead to manufacturing of commercially competitive imaging components for the dental market. The RandD team is skilled in thedevelopment of advanced TSP medical imaging materials and it has the facilities and knowledge needed to make significant advances in the application of the technology to dental imaging. The proposed innovation will enable higher quality dental imaging under well-defined and controlled exposure conditions. The advantages of the new technology will be obtained by using equipment that is compatible with existing dental x-ray generators. The novelty of the approach is to develop optimized imaging performance and packaging to meet the specific requirements of the dental market. These innovations include: (i) Consistent high resolution imaging with lower x-ray doses, (ii) image plates compatible with current x-ray systems, and (iii) potential for development of shaped imaging plates designed specifically for intra-oral use. The proposed RandD will be completed in a period of 6 months. Completion of the proposed project will demonstrate the value of the proposed approach, secure know-how and lay the foundation forfuture successful commercialization of the technology. PUBLIC HEALTH RELEVANCE PUBLIC HEALTH RELEVANCE: The specific aims of the proposed RandD are to: (i) Demonstrate the use of advanced Transparent Storage Phosphor (TSP) materials for dentalimaging, (ii) Evaluate the performance of the TSP materials compared to current dental imaging methods, and (iii) Establish requirements for providing TSP image plates to the dental market.

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