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Dual Selectivity Expressed in [2+2+1] Dynamic Clipping of Unsymmetrical [2]Catenanes

Description: A {pi}-templated dynamic [2+2+1] clipping protocol is established for the synthesis of [2]catenanes from two parts dialdehyde, two parts diamine and one part tetracationic cyclophane. It is further diversified for the selective formation of an unsymmetrical [2]catenane showing great translational selectivity by employing two different dialdehydes in a one-pot reaction. The dual selectivity and the dynamic nature are verified by {sup 1}H NMR spectroscopy, X-ray single crystal structural studies … more
Date: June 11, 2010
Creator: Liu, Yi
Partner: UNT Libraries Government Documents Department
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Initial Stages of Yield in Nanoindentation

Description: We have used the Interracial Force Microscope" to perform nanoindentations on Au single- crystal surfaces. We have observed two distinct regimes of plastic deformation which are distinguished by the magnitude of discontinuities in load relaxation. At lower stresses, relaxation occurs in small deviations from elastic behavior, while at the higher stresses they take the form of large load drops often resulting in complete relaxation of the applied load. These major events create a relatively wide… more
Date: November 24, 1998
Creator: Houston, J. E.; Jarausch, K. F.; Kiely, J. D. & Russell, P. E.
Partner: UNT Libraries Government Documents Department
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Rhodium Nanoparticle Shape Dependence in the Reduction of NO by CO

Description: The shape dependence of the catalytic reduction of NO by CO on Rhodium nanopolyhedra and nanocubes was studied from 230-270 C. The nanocubes are found to exhibit higher turnover frequency and lower activation energy than the nanopolyhedra. These trends are compared to previous studies on Rh single crystals.
Date: July 13, 2009
Creator: Renzas, J. R.; Zhang, Y.; Huang, W. & Somorjai, G. A.
Partner: UNT Libraries Government Documents Department
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Surprising Coordination Geometry Differences in Ce(IV)- and Pu(IV)-Maltol Complexes

Description: As part of a study to characterize the detailed coordination behavior of Pu(IV), single crystal X-ray diffraction structures have been determined for Pu(IV) and Ce(IV) complexes with the naturally-occurring ligand maltol (3-hydroxy-2-methyl-pyran-4-one) and its derivative bromomaltol (5-bromo-3-hydroxy-2-methyl-pyran-4-one). Although Ce(IV) is generally accepted as a structural analog for Pu(IV), and the maltol complexes of these two metals are isostructural, the corresponding bromomaltol compl… more
Date: February 12, 2008
Creator: Laboratory, Lawrence Berkeley National; Raymond, Kenneth; Szigethy, Geza; Xu, Jide; Gorden, Anne E.V.; Teat, Simon J. et al.
Partner: UNT Libraries Government Documents Department
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TEM verification of the <111>-type 4-arm multi-junction in [001]-Mo single crystals

Description: To investigate and verify the formation of <111>-type 4-arm multi-junction by the dislocation reaction of 1/2[111] [b1] + 1/2[{bar 1}1{bar 1}] [b2] + 1/2[{bar 1}{bar 1}1] [b3] = 1/2[{bar 1}11] [b4], which has recently been discovered through computer simulations conducted by Vasily Bulatov and his colleagues.
Date: March 14, 2005
Creator: Hsiung, L
Partner: UNT Libraries Government Documents Department
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Amorphous clusters in Co implanted ZnO induced by boron pre-implantation

Description: We demonstrate the formation of superparamagnetic/ferromagnetic regions within ZnO(0001) single crystals sequently implanted with B and Co. While the pre-implantation with B plays a minor role for the electrical transport properties, its presence leads to the formation of amorphous phases. Moreover, B acts strongly reducing on the implanted Co. Thus, the origin of the ferromagnetic ordering in local clusters with large Co concentration is itinerant d-electrons as in the case of metallic Co. The… more
Date: February 9, 2009
Creator: Potzger, K.; Shalimov, A.; Zhou, S.; Schmidt, H.; Mucklich, A.; Helm, M. et al.
Partner: UNT Libraries Government Documents Department
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Localized Pd Overgrowth on Cubic Pt Nanocrystals for Enhanced Electrocatalytic Oxidation of Formic Acid

Description: Binary Pt/Pd nanoparticles were synthesized by localized overgrowth of Pd on cubic Pt seeds for the investigation of electrocatalytic formic acid oxidation. The binary particles exhibited much less self-poisoning and a lower activation energy relative to Pt nanocubes, consistent with the single crystal study.
Date: March 20, 2008
Creator: Lee, H.; Habas, S.E.; Somorjai, G.A. & Yang, P.
Partner: UNT Libraries Government Documents Department
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Directed synthesis of crystalline plutonium (III) and (IV) oxalates: accessing redox-controlled separations in acidic solutions

Description: Both binary and ternary solid complexes of Pu(III) and Pu(IV) oxalates have been previously reported in the literature. However, uncertainties regarding the coordination chemistry and the extent of hydration of some compounds remain mainly because of the absence of any crystallographic characterization. Single crystals of hydrated oxalates of Pu(III), Pu{sub 2}(C{sub 2}O{sub 4}){sub 3}(H{sub 2}O){sub 6}{center_dot}3H{sub 2}O (I) and Pu(IV), KPu(C{sub 2}O{sub 4}){sub 2}(OH){center_dot}2.5H{sub 2… more
Date: January 1, 2009
Creator: Runde, Wolfgang; Brodnax, Lia F.; Goff, George S.; Bean, Amanda C. & Scott, Brian L.
Partner: UNT Libraries Government Documents Department
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Erosion of a geopolymer.

Description: Solid-particle erosion studies were conducted on a representative geopolymer. The test conditions were normal impact of 390-{micro}m angular Al{sub 2}O{sub 3} erodent particles moving at 50, 70, or 100 m/s. Steady-state erosion rates were obtained and the material-loss mechanism was studied by scanning electron microscopy. The geopolymer responded as a classic brittle material. Elastic-plastic indentation events led to formation of brittle cleavage cracks that resulted in spallation of material… more
Date: July 2, 2002
Creator: Goretta, K. C.; Chen, N.; Routbort, J. L.; Lukey, G. C. & van Deventer, J. S. J.
Partner: UNT Libraries Government Documents Department
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Massively-Parallel Dislocation Dynamics Simulations

Description: Prediction of the plastic strength of single crystals based on the collective dynamics of dislocations has been a challenge for computational materials science for a number of years. The difficulty lies in the inability of the existing dislocation dynamics (DD) codes to handle a sufficiently large number of dislocation lines, in order to be statistically representative and to reproduce experimentally observed microstructures. A new massively-parallel DD code is developed that is capable of mode… more
Date: June 18, 2003
Creator: Cai, W; Bulatov, V V; Pierce, T G; Hiratani, M; Rhee, M; Bartelt, M et al.
Partner: UNT Libraries Government Documents Department
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Mobility Laws in Dislocation Dynamics Simulations

Description: Prediction of the plastic deformation behavior of single crystals based on the collective dynamics of dislocations has been a challenge for computational materials science for a number of years. The difficulty lies in the inability of existing dislocation dynamics (DD) codes to handle a sufficiently large number of dislocation lines, to establish a statistically representative model of crystal plasticity. A new massively-parallel DD code is developed that is capable of modeling million-dislocat… more
Date: October 21, 2003
Creator: Cai, W & Bulatov, V V
Partner: UNT Libraries Government Documents Department
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Intricate Mechanisms-on-a Chip Enabled by 5-Level Surface Micromachining

Description: Surface micromachining generally offers more design freedom than related technologies, and it is the technology of choice for most microelectromechanical applications that require multi-level structures. However, the design flexibility that surface micromachining offers is not without limitations. In addition to determining how to fabricate devices in a planar world, the designer also needs to consider issues such as film quality, thickness, residual stress, topography propagation, stringers, p… more
Date: March 30, 1999
Creator: Allen, J. J.; McWhorter, P. J.; Miller, S. L.; Rodgers, M. S.; Smith, J. H. & Sniegowski, J. J.
Partner: UNT Libraries Government Documents Department
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