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At least 127 records · Page 7

Theoretical and experimental studies of compression and shear deformation behavior of Osmium to 280 GPa

Abstract The compression behavior of osmium metal was investigated up to 280 GPa (volume compression V/V o = 0.725) under nonhydrostatic conditions at ambient temperature using angle dispersive axial x-ray diffraction (A-XRD) with a diamond anvil cell (DAC). In addition, shear strength of osmium was measured to 170 GPa using radial x-ray diffraction (R-XRD) technique in DAC. Both diffraction techniques in DAC employed platinum as an internal pressure standard. Density functional theory (DFT) calculations were also performed, and the computed lattice parameters and volumes under compression are in good agreement with the experiments. DFT predicts a monotonous increase in axial ratio ( c/a ) with pressure and the structural anomalies of less than 1% in ( c/a ) ratio reported below 150 GPa were not reproduced in theoretical calculations and hydrostatic measurements. The measured value of shear strength of osmium ( τ ) approaches a limiting value of 6 GPa above a pressure of 50 GPa in contrast to theoretical predictions of 24 GPa and is likely due to imperfections in polycrystalline samples. DFT calculations also enable the studies of shear and tensile deformations. The theoretical ideal shear stress is found along the (001)[1–10] shear direction with the maximal shear stress ∼24 GPa at critical strain ∼0.13.

Lin, Chia-Min↗

Comparison of the high-pressure behavior of the cerium oxides C e 2 O 3 and Ce O 2

We studied the high-pressure behavior of Ce 2 O 3 using angle-dispersive x-ray diffraction to 70 GPa and compared with that of CeO 2 . Up to the highest pressure Ce 2 O 3 remains in the hexagonal phase (space group 164, P ¯32/m1) typical for the lanthanide sesquioxides. We did not observe a theoretically predicted phase instability for 30 GPa. The isothermal bulk modulus and its pressure derivative for the quasihydrostatic case are B 0 = 111 ± 2 GPa, B' 0 = 4.7 ± 0.3, and for the case without pressure-transmitting medium B 0 = 104 ±4 GPa, B' 0 = 6.5 ± 0.4. Starting from ambient-pressure magnetic susceptibility measurements for both oxides in highly purified form,we find that the Ce atom in Ce 2 O 3 behaves like a trivalent Ce 3+ ion (2.57μB per Ce atom) in contrast to previously published data. Since x-ray emission spectroscopy of the Lγ (4d 3/2 → 2p 1/2 ) transition is sensitive to the 4f -electron occupancy, we also followed the high-pressure dependence of this line for both oxides up to 50 GPa. We observed no change of the respective line shape, indicating that the 4f -electron configuration is stable for both materials. We posit from this data that the 4f electrons do not drive the volume collapse of CeO 2 from the high-symmetry, low-pressure fluorite structure to the lower-symmetry orthorhombic phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Synthesis of NaTi 2 ( PO 4 ) 3 by the Inorganic–Organic Steric Entrapment Method and Its Thermal Expansion Behavior

Crystalline pure NaTi 2 ( PO 4 ) 3 ( NTP ) powder was synthesized at 700°C using a simple and low energy, hybrid inorganic–organic, steric entrapment method. Sodium nitrite (Na NO 2 ) and ammonium phosphate dibasic (( NH 4 ) 2 HPO 4 ) dissolved in water, whereas titanium ( IV ) isopropoxide (Ti[ OCH ( CH 3 ) 2 ] 4 ) hydrolyzed in water. Ethylene glycol ( HOCH 2 CH 2 OH ) was used as a polymeric entrapper and hydrolysis of the Ti source was hindered by its dissolution in isopropyl alcohol. The resulting NTP powder was characterized by thermogravimetric analysis/differential thermal analysis, X‐ray diffractometry, scanning electron microscopy, specific surface area by Brunauer–Emmett–Teller nitrogen absorption, and particle size analysis. Furthermore, C, H, N were measured by the classical Pregl‐Dumas method. The thermal expansion behavior in all { hkl } pole directions was also determined by in situ high‐temperature X‐ray diffraction using synchrotron radiation and was found to be in agreement with other published studies.

Ribero, Daniel↗

Creep-rupture behavior of 6 candidate stirling engine iron-base superalloys in high pressure hydrogen. Volume 1: Air creep-rupture behavior

Four wrought alloys (A-286, IN 800H, N-155, and 19-9DL) and two cast alloys (CRM-6D and XF-818) were tested to determine their creep-rupture behavior. The wrought alloys were used in the form of sheets of 0.89 mm (0.035 in.) average thickness. The cast alloy specimens were investment cast and machined to 6.35 mm (0.250 in.) gage diameter. All specimens were tested to rupture in air at different times up to 3000 h over the temperature range of 650 C to 925 C (1200 F to 1700 F). Rupture life, minimum creep rate, and time to 1% creep strain were statistically analyzed as a function of stress at different temperatures. Temperature-compensated analysis was also performed to obtain the activation energies for rupture life, time to 1% creep strain, and the minimum creep rate. Microstructural and fracture analyses were also performed. Based on statistical analyses, estimates were made for stress levels at different temperatures to obtain 3500 h rupture life and time to 1% creep strain. Test results are to be compared with similar data being obtained for these alloys under 15 MPa (2175 psi) hydrogen.

Bhattacharyya, S.↗

Acquisition and production of skilled behavior in dynamic decision-making tasks: Modeling strategic behavior in human-automation interaction: Why and aid can (and should) go unused

Advances in computer and control technology offer the opportunity for task-offload aiding in human-machine systems. A task-offload aid (e.g., an autopilot, an intelligent assistant) can be selectively engaged by the human operator to dynamically delegate tasks to an automated system. Successful design and performance prediction in such systems requires knowledge of the factors influencing the strategy the operator develops and uses for managing interaction with the task-offload aid. A model is presented that shows how such strategies can be predicted as a function of three task context properties (frequency and duration of secondary tasks and costs of delaying secondary tasks) and three aid design properties (aid engagement and disengagement times, aid performance relative to human performance). Sensitivity analysis indicates how each of these contextual and design factors affect the optimal aid aid usage strategy and attainable system performance. The model is applied to understanding human-automation interaction in laboratory experiments on human supervisory control behavior. The laboratory task allowed subjects freedom to determine strategies for using an autopilot in a dynamic, multi-task environment. Modeling results suggested that many subjects may indeed have been acting appropriately by not using the autopilot in the way its designers intended. Although autopilot function was technically sound, this aid was not designed with due regard to the overall task context in which it was placed. These results demonstrate the need for additional research on how people may strategically manage their own resources, as well as those provided by automation, in an effort to keep workload and performance at acceptable levels.

Kirlik, Alex↗

Graphitization Behavior of Loblolly Pine Wood Investigated by in Situ High Temperature X-ray Diffraction

Graphitization is a complex process involving chemical and morphological changes, although the detailed mechanism for different starting materials is not well understood. In this work, in situ high temperature X-ray diffraction (XRD) and differential scanning calorimetry (DSC) were used to examine the phase transition occurring between 1000 and 1500 °C in loblolly pine wood-derived carbon materials. Electron energy loss spectroscopy (EELS) was also used to study these wood-derived carbon materials. XRD data showed the disappearance of a disordered carbon phase between 1300 and 1400 °C, followed by the formation of a crystalline graphitic phase between 1400 and 1500 °C. Here, lattice parameters and the crystal structure of the loblolly pine wood-derived graphite were systematically calculated from the empirical data. The presence of a large endothermic peak at 1500 °C in the DSC thermogram supported this observation. Selected area electron diffraction patterns showed the growth of graphitic crystallites after heat treatment. EELS spectra also supported the presence of a well-developed graphite structure.

Anode materials↗

Hardware MPI message matching: Insights into MPI matching behavior to inform design: Hardware MPI message matching

Here, this paper explores key differences of MPI match lists for several important United States Department of Energy (DOE) applications and proxy applications. This understanding is critical in determining the most promising hardware matching design for any given high-speed network. The results of MPI match list studies for the major open-source MPI implementations, MPICH and Open MPI, are presented, and we modify an MPI simulator, LogGOPSim, to provide match list statistics. These results are discussed in the context of several different potential design approaches to MPI matching–capable hardware. The data illustrate the requirements for different hardware designs in terms of performance and memory capacity. Finally, this paper's contributions are the collection and analysis of data to help inform hardware designers of common MPI requirements and highlight the difficulties in determining these requirements by only examining a single MPI implementation.

97 MATHEMATICS AND COMPUTING↗

Redox Behavior of 2,3-Diamino-1,4-naphthoquinone and its N-Alkylated Derivatives

Electrochemical reduction and oxidation potentials and standard heterogeneous electron transfer rate constants are reported for 2,3-diamino-1,4-naphthoquinone and two of its N-alkylated derivatives in acetonitrile. For two of the compounds, spectroelectrochemistry was used to obtain the absorption spectra of the radical cation and the radical anion. The compounds can be viewed as captodative biradicaloids and as such are of interest for photophysical studies of singlet fission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Temperature-dependent self-assembly and rheological behavior of a thermoreversible pmma-P n BA-PMMA triblock copolymer gel

Self-assembly and mechanical properties of triblock copolymers in a mid-block selective solvent are of interest in many applications. Herein, we report physical assembly of an ABA triblock copolymer, [PMMA–PnBA–PMMA] in two different mid-block selective solvents, n-butanol and 2-ethyl-1-hexanol. Gel formation resulting from end-block associations and the corresponding changes in mechanical properties have been investigated over a temperature range of -80 °C to 60 °C, from near the solvent melting points to above the gelation temperature. Shear-rheometry, thermal analysis, and small-angle neutron scattering data reveal formation and transition of structure in these systems from a liquid state to a gel state to a percolated cluster network with decrease in temperature. The aggregated PMMA end-blocks display a glass transition temperature. Our results provide new understanding into the structural changes of a self-assembled triblock copolymer gel over a large length scale and wide temperature range.

36 MATERIALS SCIENCE↗