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At least 73 records · Page 4

Structural inheritance and difference between Ti 2 AlC, Ti 3 AlC 2 and Ti 5 Al 2 C 3 under pressure from first principles

The structural inheritance and difference between Ti 2 AlC, Ti 3 AlC 2 and Ti 5 Al 2 C 3 under pressure from first principles are studied. The results indicate that the lattice parameter a are almost the same within Ti 2 AlC, Ti 3 AlC 2 and Ti 5 Al 2 C 3 , and the value of c in Ti 5 Al 2 C 3 is the sum of Ti 2 AlC and Ti 3 AlC 2 which is revealed by the covalently bonded chain in the electron density difference: Al–Ti–C–Ti–Al for Ti 2 AlC, Al–Ti 2 –C–Ti 1 –C–Ti 2 –Al for Ti 3 AlC 2 and Al–Ti 3 –C 2 –Ti 3 –Al–Ti 2 –C 1 –Ti 1 –C 1 –Ti 2 –Al for Ti 5 Al 2 C 3 . The calculated axial compressibilities, volumetric shrinkage, elastic constant c 11 , c 33 /c 11 ratio, bulk modulus, shear modulus, and Young’s modulus of Ti 5 Al 2 C 3 are within the range of the end members (Ti 2 AlC and Ti 3 AlC 2 ) in a wide pressure range of 0–100 GPa. Only Ti 2 AlC is isotropic crystal at about 50 GPa within the Ti–Al–C compounds. All of the Ti 3 d density of states curves of the three compounds move from lower energy to higher energy level with pressure increasing. The similarities of respective bond length, bond overlap population (Ti–C, Ti–Al and Ti–Ti), atom Mulliken charges under pressure as well as the electron density difference for the three compounds are discovered. Among the Ti–Al–C ternary compounds, Ti–Ti bond behaves least compressibility, whereas the Ti–Al bond is softer than that of Ti–C bonds, which can also been confirmed by the density of states and electron density difference. Bond overlap populations of Ti–Ti, Ti–C and Ti–Al indicate that the ionicity interaction becomes more and more stronger in the three structures as the pressure increasing. Lastly, Mulliken charges of Ti 1 , Ti 2 , Ti 3 , C and Al are 0.65, 0.42, 0.39, –0.73, –0.04 at 0 GPa, respectively, which are consistent with the Pauling scale.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Compressional behavior and spin state of δ-(Al,Fe)OOH at high pressures

Hydrogen transport from the surface to the deep interior and distribution in the mantle are important in the evolution and dynamics of the Earth. An aluminum oxy-hydroxide, δ-AlOOH, might influence hydrogen transport in the deep mantle because of its high stability extending to lower mantle conditions. The compressional behavior and spin states of δ-(Al,Fe 3+ )OOH phases were investigated with synchrotron X-ray diffraction and Mössbauer spectroscopy under high pressure and room temperature. Pressure-volume (P-V) profiles of the δ-(Al 0.908(9) 57 Fe 0.045(1) )OOH 1.14(3) [Fe/(Al+Fe) = 0.047(10), δ-Fe5] and the δ-(Al 0.832(5) 57 Fe 0.117(1) )OOH 1.15(3) [Fe/(Al+Fe) = 0.123(2), δ-Fe12] show that these hydrous phases undergo two distinct structural transitions involving changes in hydrogen bonding environments and a high- to low-spin crossover in Fe 3+ . A change of axial compressibility accompanied by a transition from an ordered ( P 2 1 nm ) to disordered hydrogen bond ( Pnnm ) occurs near 10 GPa for both δ-Fe5 and δ-Fe12 samples. Through this transition, the crystallographic a and b axes become stiffer, whereas the c axis does not show such a change, as observed in pure δ-AlOOH. A volume collapse due to a transition from high- to low-spin states in the Fe 3+ ions is complete below 32–40 GPa in δ-Fe5 and δ-Fe12, which i ~10 GPa lower than that reported for pure ε-FeOOH. Evaluation of the Mössbauer spectra of δ-(Al 0.824(10) 57 Fe 0.126(4) )OOH 1.15(4) [Fe/(Al+Fe) = 0.133(3), δ-Fe13] also indicate a spin transition between 32–45 GPa. Phases in the δ-(Al,Fe)OOH solid solution with similar iron concentrations as those studied here could cause an anomalously high ρ/ν Φ ratio (bulk sound velocity, defined as √K/ρ at depths corresponding to the spin crossover region (~900 to ~1000 km depth), whereas outside the spin crossover region a low ρ/ν Φ anomaly would be expected. Here, these results suggest that the δ-(Al,Fe)OOH solid solution may play an important role in understanding the heterogeneous structure of the deep Earth.

58 GEOSCIENCES↗

Deformation and strength of mantle relevant garnets: Implications for the subduction of basaltic-rich crust

Garnet is an important mineral phase in the upper mantle as it is both a key component in bulk mantle rocks, and a primary phase at high pressure within subducted basalt. In this work, we focus on the strength of garnet and the texture that develops within garnet during accommodation of differential deformational strain. We use X-ray diffraction in a radial geometry to analyze texture development in situ in three garnet compositions under pressure at 300 K: a natural garnet (Prp 60 Alm 37 ) to 30 GPa, and two synthetic majorite-bearing compositions (Prp 59 Maj 41 and Prp 42 Maj 58 ) to 44 GPa. All three garnets develop a modest (100) texture at elevated pressure under axial compression. Elasto-viscoplastic self-consistent (EVPSC) modeling suggests that two slip systems are active in the three garnet compositions at all pressures studied: {110}<$1\bar{1}1$> and {001}<110>. We determine a flow strength of ~5 GPa at pressures between 10 to 15 GPa for all three garnets; these values are higher than previously reported yield strengths measured on natural and majoritic garnets. Strengths calculated using the experimental lattice strain differ from the strength generated from those calculated using EVPSC. Prp 67 Alm 33 , Prp 59 Maj 41 , and Prp 42 Maj 58 are of comparable strength to each other at room temperature, which indicates that majorite substitution does not greatly affect the strength of garnets. Additionally, all three garnets are of similar strength as lower mantle phases such as bridgmanite and ferropericlase, suggesting that garnet may not be notably stronger than the surrounding lower mantle/deep upper mantle phases at the base of the upper mantle.

58 GEOSCIENCES↗

Deformation and Fracture in Complex-Shaped Energetic Particles

A new technical basis on the mechanics of energetic materials at the individual particle scale has been developed. Despite these particles being in most of our Sandia non-nuclear explosive components, we have historically lacked any understanding of particle behavior. Through the novel application of nanoidentation methods to single crystal films and single particles of energetic materials with complex shapes, discovery data has been collected elucidating phenomena of particle strength, elastic and plastic deformation, and fracture. This work specifically developed the experimental techniques and analysis methodologies to distill data into relationships suitable for future integration into particle level simulations of particle reassembly. This project utilized experimental facilities at CINT and the Explosive Components Facility to perform ex-situ and in-situ nanoidentation experiments with simultaneous scanning electron microscope (SEM) imaging. Data collected by an applied axial compressive load in either force-control or displacement-control was well represented by Hertzian contact theory for linear elastic materials. Particle fracture phenomenology was effectively modeled by an empirical damage model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Capillary interconnect device

An interconnecting device for connecting a plurality of first fluid-bearing conduits to a corresponding plurality of second fluid-bearing conduits thereby providing fluid communication between the first fluid-bearing conduits and the second fluid-bearing conduits. The device includes a manifold and one or two ferrule plates that are held by compressive axial forces.

42 ENGINEERING↗

Mechanical Characterization of Loblolly Pine

Biorefineries are faced with various material flow challenges during feeding and handling, due to inherent variability and inhomogeneity of biomass feedstocks. This impacts the efficiency of refinery processes and unit operations. Proper characterization of bulk properties allows for optimal process design and reduction of overall costs. This work is aimed at evaluating the physical and mechanical properties that impact bulk flow of loblolly pine. Cyclic axial compression tests are performed to elucidate consolidation behavior under different stress conditions. The results are then used to develop correlations between material parameters (particle size, tissue type, moisture content) and Elastic Modulus of bulk samples.

09 BIOMASS FUELS↗

Ultrasonic rivet joining of dissimilar materials

A method for joining dissimilar materials is provided. The method includes a solid-state joining process in which a rivet is plunged into a predrilled hole in a top workpiece. When the rivet contacts the bottom workpiece, ultrasonic vibration by oscillatory motion of a sonotrode, such as horizontal, vertical, or rotational motion, creates frictional heat at the interface between the rivet and the lower workpiece. With the aid of frictional heat and axial compression, metallurgical bonding is achieved at the interface between the rivet and the bottom sheet, while being below the melting temperature of the bottom workpiece. The sonotrode is retracted while the rivet remains.

Lim, Yong Chae↗

Vacuum insulated room temperature bore horizontal cryostat for 4-Tesla superconducting magnet

4-Tesla warm bore superconducting magnet is being constructed at Bhabha Atomic Research Centre in India. The adiabatically cooled superconducting magnet will be used for corrosion and Magneto Hydro Dynamic (MHD) studies related to development of Lead Lithium Cooled Ceramic Breeder (LLCB) test blanket module (TBM). Magnet aperture is of 300 mm diameter and is accessible from both ends. Magnet is completely immersed in liquid helium bath at 4.2K. The stored magnetic energy during normal operation is 2.6 MJ. Huge amount of Lorentz forces acts on the magnet coils during operation. These forces try to axially compress the coils and cause outward radial movement of the conductor. Micro meter movement of the coils result in energy deposition due to large operating fields. This energy, albeit small, is still sufficient to cause quench in the magnet as the heat capacities at cryogenic temperatures are very low. Pre-stressing and banding of the superconducting strands help to overcome conductor movement by increasing structural rigidity. This paper describes the thermal, structural and magnetic design the superconducting solenoid magnet. (author)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

In-pile investigation results of re-sintering for uranium dioxide fuel with large grain size at temperature 650-700 C

When determining the radiation creep of nuclear fuel, apart from deformation caused by axial compressive stress, there is a shrinkage process induced by radiation re-sintering, which may contribute in total value of in-pile deformation. The aim of this work was to study re-sintering for large grain size fuel of uranium dioxide. WWER fuel pellets with grain size greater than 25 μm have been piled up in a special device and irradiated in the channel number 7 of the RBT-6 pool-type reactor. The height of the fuel column was continuously measured during the irradiation. The average temperature value in the fuel column center was 682 Celsius degrees and the total time of irradiation reached 1800 hours which corresponds to a specific burnup of 2.5 MWd/KgU, taking into account fission density and initial fuel stoichiometry. The results show that re-sintering throughout the height equals to 0.08% which correlates well with thermal re-sintering test and does not have an impact on the steady-state creep rate.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Phase-field modeling of the beta to omega phase transformation in Zr–Nb alloys

A three-dimensional elastoplastic phase-field model is developed, using the Finite Element Method (FEM), for modeling the athermal beta to omega phase transformation in Zr–Nb alloys by including plastic deformation and strain hardening of the material. The microstructure evolution during athermal transformation as well as under different stress states, e.g. uni-axial tensile and compressive, bi-axial tensile and compressive, shear and tri-axial loadings, is studied. The effects of plasticity, stress states and the stress loading direction on the microstructure evolution as well as on the mechanical properties are studied. The input data corresponding to a Zr – 8 at.% Nb alloy are acquired from experimental studies as well as by using the CALPHAD method. Our simulations show that the four different omega variants grow as ellipsoidal shaped particles. Our results show that due to stress relaxation, the athermal phase transformation occurs slightly more readily in the presence of plasticity compared to that in its absence. The evolution of omega phase is different under different stress states, which leads to the differences in the mechanical properties of the material. The variant selection mechanism, i.e. formation of different variants under different stress loading directions, is also nicely captured by our model.

36 MATERIALS SCIENCE↗

Wire rivet

A rivet assembly for securing a wire in electrical communication with a substrate having a hollow cylindrical body with a first opening at a proximal end and a second opening at a distal end. The rivet assembly further includes a wire with a portion in electrical communication with the cylindrical body. The rivet assembly yet further includes a compression mechanism configured for use selectively compressing the cylindrical body along an axial direction. Compression of the cylindrical body can cause diametric expansion of an outer diameter of the cylindrical body to retain the cylindrical body within a substrate. The rivet assembly additionally includes wire retention structure configured for holding the wire in electrical contact with the compressed cylindrical body.

Briggs, Timothy↗

Gas turbine engine with radial diffuser and shortened mid section

An industrial gas turbine engine (10), including: a can annular combustion assembly (80), having a plurality of discrete flow ducts configured to receive combustion gas from respective combustors (82) and deliver the combustion gas along a straight flow path at a speed and orientation appropriate for delivery directly onto the first row (56) of turbine blades (62); and a compressor diffuser (32) having a redirecting surface (130, 140) configured to receive an axial flow of compressed air and redirect the axial flow of compressed air radially outward.

33 ADVANCED PROPULSION SYSTEMS↗

In situ high-pressure synchrotron X-ray diffraction study of the structural stability in NdVO{sub 4} and LaVO{sub 4}

Highlights: • NdVO{sub 4} and LaVO{sub 4} were studied under high pressure using synchrotron powder XRD. • Both compounds exhibit first-order phase transitions. • In NdVO{sub 4} the transition involves a symmetry breaking and in LaVO{sub 4} is isomorphic. • The crystal structures of the high-pressure phases are assigned. • Axial and bulk compressibilities are determined. - Abstract: Room-temperature angle-dispersive X-ray diffraction measurements on zircon-type NdVO{sub 4} and monazite-type LaVO{sub 4} were performed in a diamond-anvil cell up to 12 GPa. In NdVO{sub 4}, we found evidence for a non-reversible pressure-induced structural phase transition from zircon to a monazite-type structure at 6.5 GPa. Monazite-type LaVO{sub 4} also exhibits a phase transition but at 8.6 GPa. In this case the transition is reversible and isomorphic. In both compounds the pressure induced transitions involve a large volume collapse. Finally, the equations of state and axial compressibilities for the low-pressure phases are also determined.

36 MATERIALS SCIENCE↗

Hybrid Simulations of FRC Merging and Compression

An improved understanding of field-reversed configuration (FRC) merging and stability in high acceleration and compression magnetic fields is needed to speed up the development of the pulsed fusion concept developed at Helion Energy. All previous theoretical and simulation work on FRC merging and compression was performed using two-dimensional (2D) magnetohydrodynamic (MHD) models. The results of novel 2D hybrid simulations (fluid electrons and full-orbit kinetic ions) of FRC merging and compression are presented. Results of kinetic and MHD simulations, computed using the HYM code, are compared and analyzed. In cases without axial magnetic compression, both the MHD and hybrid simulations show a high sensitivity to the initial parameters (i.e. FRC separation, velocity, normalized separatrix radius, and plasma viscosity), showing that FRCs with large elongation and separatrix radius either do not merge or merge partially, forming a doublet FRC. In conclusion, application of a mirror coil field at the FRC ends with increasing strength is shown to lead to fast and complete merging of the FRCs in MHD and kinetic simulations.

FRC↗

Inductively Driven, 3D Liner Compression of a Magnetized Plasma to Megabar Energy Densities

To take advantage of the smaller scale, higher density regime of fusion an efficient method for achieving the compressional heating required to reach fusion gain conditions must be found. What is proposed is a more flexible metallic liner compression scheme that minimizes the kinetic energy required to reach fusion. It is believed that it is possible to accomplish this at sub-megajoule energies. This however will require operation at very small scale. To have a realistic hope of inexpensive, repetitive operation, it is essential to have the liner kinetic energy under a megajoule which allows for the survivability of the vacuum and power systems. At small scale the implosion speed must be reasonably fast to maintain the magnetized plasma (FRC) equilibrium during compression. For limited liner kinetic energy, it becomes clear that the thinnest liner imploded to the smallest radius consistent with the requirements for FRC equilibrium lifetime is desired. The proposed work is directed toward accomplishing this goal. Typically an axial (Z) current is employed for liner compression. There are however several advantages to using a θ-pinch coil. With the θ-pinch the liner currents are inductively driven which greatly simplifies the apparatus and vacuum system, and avoids difficulties with the post implosion vacuum integrity. With fractional flux leakage, the foil liner automatically provides for the seed axial compression field. To achieve it with optimal switching techniques, and at an accelerated pace however will require additional funding. This extra expense is well justified as the compression technique that will be enabled by this funding is unique in the ability to implode individual segments of the liner at different times. This is highly advantageous as the liner can be imploded in a manner that maximizes the energy transfer to the FRC. Production of shaped liner implosions for additional axial compression can thus be readily accomplished with the modified power modules. The additional energy and switching capability proposed will thus provide for optimal utilization of the liner energy. The following tasks were outlined for the three year effort: (1) Design and assemble the foil liner compression test structure and chamber including the compression bank and test foils [Year 1]. (2) Perform foil liner compression experiments and obtain performance data over a range on liner dimensions and bank parameters [Year 2]. (3) Carry out compression experiments of the FRC plasma to Megagauss fields and measure key fusion parameters [Year 3]. (4) Develop numerical codes and analyze experimental results, and determine the physics and scaling for future work [Year 1-3]. The principle task of the project was to design and assemble the foil liner FRC formation chamber, the full compression test structure and chamber including the compression bank. This task was completed successfully. The second task was to test foils in the test facility constructed in year one and characterize the performance obtained from liner compression. These experimental measurements were then compared with analytical predictions, and numerical code results. The liner testing was completed and compared with both the analytical results as well as the code work performed with the 3D structural dynamics package of ANSYS Metaphysics®. This code is capable of modeling the dynamic behavior of materials well into the non-linear regime (e.g. a bullet hit plate glass). The liner dynamic behavior was found to be remarkably close to that predicted by the 3D structural dynamics results. Incorporating a code that can also include the magnetics and plasma physics has also made significant progress at the UW. The remaining test bed construction and assembly task is was completed, and the FRC formation and merging experiments were carried out as planned. The liner compression of the FRC to Megagauss fields was not performed due to not obtaining a sufficiently long lived FRC during the final year of the grant. Modifications planned to correct this deficiency included a larger FRC source as well as a much larger liner driver energy storage system. Due to discontinuation of the grant neither of these improvements were carried out.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗