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Full-Text Articles in Physics
Density Functional Theory Study On The Electronic Structure Of N- And P-Type Doped Srtio3 At Anodic Solid Oxide Fuel Cell Conditions, S. Suthirakun, Salai Ammal, G. Xiao, Fanglin Chen, Hans-Conrad Zur Loye, Andreas Heyden
Density Functional Theory Study On The Electronic Structure Of N- And P-Type Doped Srtio3 At Anodic Solid Oxide Fuel Cell Conditions, S. Suthirakun, Salai Ammal, G. Xiao, Fanglin Chen, Hans-Conrad Zur Loye, Andreas Heyden
Salai C. Ammal
The electronic conductivity and thermodynamic stability of mixed n-type and p-type doped SrTiO3 have been investigated at anodic solid oxide fuel cell (SOFC) conditions using density functional theory (DFT) calculations. In particular, constrained ab initio thermodynamic calculations have been performed to evaluate the phase stability and reducibility of various Nb- and Ga-doped SrTiO3 at synthesized and anodic SOFC conditions. The density of states (DOS) of these materials was analyzed to study the effects of n- and p-doping on the electronic conductivity. In agreement with experimental observations, we find that the transformation from 20% Nb-doped Sr-deficient SrTiO3 to a non-Sr-deficient phase …
The Effect Of Copt Crystallinity And Grain Texturing On Properties Of Exchange-Coupled Fe/Copt Systems, H. Oguchi, A. Zambano, M. Yu, Jason Hattrick-Simpers, D. Banerjee, Y. Liu, Z. Wang, J. Liu, S. Lofland, D. Josell, I. Takeuchi
The Effect Of Copt Crystallinity And Grain Texturing On Properties Of Exchange-Coupled Fe/Copt Systems, H. Oguchi, A. Zambano, M. Yu, Jason Hattrick-Simpers, D. Banerjee, Y. Liu, Z. Wang, J. Liu, S. Lofland, D. Josell, I. Takeuchi
Jason R. Hattrick-Simpers
The effect of the crystallinity and the grain texturing of CoPt hard layers on exchange coupled Fe/CoPt soft/hard magnetic systems was studied using gradient thickness multilayer thin films. We have studied the hard layer structures by transmission electron microscopy and x-ray diffraction, and characterized the exchange coupling interaction through magnetization loops obtained by the magneto-optical Kerr effect measurement. We found that exchange coupling strongly depends on the crystalline characteristics of the CoPt hard layer. There is correlation between the mixture of different grain orientations of the CoPt hard layer and coupling efficiency. In particular, interlayer coupling is enhanced when there …
Applications Of High Throughput (Combinatorial) Methodologies To Electronic, Magnetic, Optical, And Energy-Related Materials, Martin L. Green, Ichiro Takeuchi, Jason R. Hattrick-Simpers
Applications Of High Throughput (Combinatorial) Methodologies To Electronic, Magnetic, Optical, And Energy-Related Materials, Martin L. Green, Ichiro Takeuchi, Jason R. Hattrick-Simpers
Jason R. Hattrick-Simpers
High throughput (combinatorial) materials science methodology is a relatively new research paradigm that offers the promise of rapid and efficient materials screening, optimization, and discovery. The paradigm started in the pharmaceutical industry but was rapidly adopted to accelerate materials research in a wide variety of areas. High throughput experiments are characterized by synthesis of a “library” sample that contains the materials variation of interest (typically composition), and rapid and localized measurement schemes that result in massive data sets. Because the data are collected at the same time on the same “library” sample, they can be highly uniform with respect to …
Rapid Structural Mapping Of Ternary Metallic Alloy Systems Using The Combinatorial Approach And Cluster Analysis, C. Long, Jason Hattrick-Simpers, M. Murakami, R. Srivastava, I. Takeuchi, V. Karen, X. Li
Rapid Structural Mapping Of Ternary Metallic Alloy Systems Using The Combinatorial Approach And Cluster Analysis, C. Long, Jason Hattrick-Simpers, M. Murakami, R. Srivastava, I. Takeuchi, V. Karen, X. Li
Jason R. Hattrick-Simpers
We are developing a procedure for the quick identification of structural phases in thin film composition spread experiments which map large fractions of compositional phase diagrams of ternary metallic alloy systems. An in-house scanning x-ray microdiffractometer is used to obtain x-ray spectra from 273 different compositions on a single composition spread library. A cluster analysissoftware is then used to sort the spectra into groups in order to rapidly discover the distribution of phases on the ternary diagram. The most representative pattern of each group is then compared to a database of known structures to identify known phases. Using this method, …
Note: A Simple Thermal Gradient Annealing Unit For The Treatment Of Thin Films, C. Metting, Johnathan Bunn, Ellen Underwood, Yihao Zhu, G. Koley, T. Crawford, Jason Hattrick-Simpers
Note: A Simple Thermal Gradient Annealing Unit For The Treatment Of Thin Films, C. Metting, Johnathan Bunn, Ellen Underwood, Yihao Zhu, G. Koley, T. Crawford, Jason Hattrick-Simpers
Jason R. Hattrick-Simpers
A gradient annealing cell has been developed for the high-throughput study of thermalannealing effects on thin-film libraries in different environments. The inexpensive gradientannealing unit permits temperature gradients as large as 28 °C/mm and can accommodate samples ranging in length from 13 mm to 51 mm. The system was validated by investigating the effects of annealing temperature on the crystallinity, resistivity, and transparency of tin-doped indium oxide deposited on a glass substrate by magnetron sputtering. The unit developed in this work will permit the rapid optimization of materials properties such as crystallinity, homogeneity, and conductivity across a variety of applications.
Combinatorial Investigation Of Magnetostriction In Fe-Fa And Fe-Ga-Al, Jason R. Hattrick-Simpers, Dwight Hunter, Corneliu M. Craciunescu, Kyu Sung Jang, Makoto Murakami, James Cullen, Manfred Wuttig, Ichiro Takeuchi, Samuel E. Lofland, Leonid Bendersky, Noble Woo, Robert Bruce Vandover, Toshiya Takahashi, Yasubumi Furuya
Combinatorial Investigation Of Magnetostriction In Fe-Fa And Fe-Ga-Al, Jason R. Hattrick-Simpers, Dwight Hunter, Corneliu M. Craciunescu, Kyu Sung Jang, Makoto Murakami, James Cullen, Manfred Wuttig, Ichiro Takeuchi, Samuel E. Lofland, Leonid Bendersky, Noble Woo, Robert Bruce Vandover, Toshiya Takahashi, Yasubumi Furuya
Jason R. Hattrick-Simpers
A high-throughput high-sensitivity optical technique for measuringmagnetostriction of thin-film composition-spread samples has been developed. It determines the magnetostriction by measuring the induced deflection of micromachined cantilever unimorph samples. Magnetostrictionmeasurements have been performed on as-deposited Fe–Ga and Fe–Ga–Al thin-film composition spreads. The thin-film Fe–Ga spreads display a similar compositional variation of magnetostriction as bulk. A previously undiscovered peak in magnetostriction at low Ga content was also observed and attributed to a maximum in the magnetocrystalline anisotropy. Magnetostrictive mapping of the Fe–Ga–Al ternary system reveals the possibility of substituting up to 8at.%Al in Fe70Ga30 without significant degradation of magnetostriction.
Characterization Of Magnetic Degradation Mechanism In A High Neutron-Flux Environment, Adib Samin, Jie Qiu, Jason Hattrick-Simpers, Liyang Dai-Hattrick, Yuan Zheng, Lei Cao
Characterization Of Magnetic Degradation Mechanism In A High Neutron-Flux Environment, Adib Samin, Jie Qiu, Jason Hattrick-Simpers, Liyang Dai-Hattrick, Yuan Zheng, Lei Cao
Jason R. Hattrick-Simpers
No abstract provided.
Optical Cell For Combinatorial In Situ Raman Spectroscopic Measurements Of Hydrogen Storage Materials At High Pressures And Temperatures, Jason Hattrick-Simpers, Wilbur Hurst, Sesha Srinivasan, James Maslar
Optical Cell For Combinatorial In Situ Raman Spectroscopic Measurements Of Hydrogen Storage Materials At High Pressures And Temperatures, Jason Hattrick-Simpers, Wilbur Hurst, Sesha Srinivasan, James Maslar
Jason R. Hattrick-Simpers
An optical cell is described for high-throughput backscattering Raman spectroscopic measurements of hydrogen storagematerials at pressures up to 10 MPa and temperatures up to 823 K. High throughput is obtained by employing a 60 mm diameter × 9 mm thick sapphire window, with a corresponding 50 mm diameter unobstructed optical aperture. To reproducibly seal this relatively large window to the cell body at elevated temperatures and pressures, a gold o-ring is employed. The sample holder-to-window distance is adjustable, making this cell design compatible with optical measurement systems incorporating lenses of significantly different focal lengths, e.g., microscope objectives and single element …