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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Phase transition in BC[subscript x] system under high-pressure and high-temperature: Synthesis of cubic dense BC[subscript 3] nanostructured phase

We synthesized a cubic BC{sub 3} (c-BC{sub 3}) phase, by direct transformation from graphitic phases at a pressure of 39 GPa and temperature of 2200 K in a laser-heated diamond anvil cell. A combination of x-ray diffraction, electron diffraction, transmission electron microscopy (TEM) imaging, and electron energy loss spectroscopy (EELS) measurements lead us to conclude that the obtained phase is hetero-nano-diamond, c-BC{sub 3}. High-resolution TEM imaging of the c-BC{sub 3} specimen recovered at ambient conditions demonstrates that the c-BC{sub 3} is a single, uniform, nanocrystalline phase with a grain size of about 3-5 nm. The EELS measurements show that the atoms inside the cubic structure are bonded by sp{sup 3} bonds. The zero-pressure lattice parameter of the c-BC{sub 3} calculated from diffraction peaks was found to be a = 3.589 {+-} 0.007 {angstrom}. The composition of the c-BC{sub 3} is determined from EELS measurements. The ratio of carbon to boron, C/B, is approximately 3 (2.8 {+-} 0.7).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Pressure-induced amorphization in orthorhombic Ta{sub 2}O{sub 5}: An intrinsic character of crystal

The phase transition of orthorhombic Ta{sub 2}O{sub 5} was investigated by in situ synchrotron X-ray diffraction and Raman spectroscopy. The orthorhombic phase transforms into an amorphous form completely at 24.7 GPa. A bulk modulus B{sub 0} = 139 (9) GPa for the orthorhombic Ta{sub 2}O{sub 5} is derived from the P-V data. We suggest that the pressure-induced amorphization (PIA) in Ta{sub 2}O{sub 5} can be attributed to the unstability of the a axis under high pressure leads to the connections of polyhedral breaking down and even triggers disorder of the whole crystal frame. These results demonstrate that the PIA is an intrinsic character of Ta{sub 2}O{sub 5} which depends on its orthorhombic crystal structure rather than nanosize effects. This study provides a new kind of bulk material for investigating PIA in metal oxides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Constant pressure and temperature discrete-time Langevin molecular dynamics

We present a new and improved method for simultaneous control of temperature and pressure in molecular dynamics simulations with periodic boundary conditions. The thermostat-barostat equations are built on our previously developed stochastic thermostat, which has been shown to provide correct statistical configurational sampling for any time step that yields stable trajectories. Here, we extend the method and develop a set of discrete-time equations of motion for both particle dynamics and system volume in order to seek pressure control that is insensitive to the choice of the numerical time step. The resulting method is simple, practical, and efficient. The method is demonstrated through direct numerical simulations of two characteristic model systems—a one-dimensional particle chain for which exact statistical results can be obtained and used as benchmarks, and a three-dimensional system of Lennard-Jones interacting particles simulated in both solid and liquid phases. The results, which are compared against the method of Kolb and Dünweg [J. Chem. Phys. 111, 4453 (1999)], show that the new method behaves according to the objective, namely that acquired statistical averages and fluctuations of configurational measures are accurate and robust against the chosen time step applied to the simulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Analysis of shockless dynamic compression data on solids to multi-megabar pressures: Application to tantalum

Magnetically-driven, planar shockless-compression experiments to multi-megabar pressures were performed on tantalum samples using a stripline target geometry. Free-surface velocity waveforms were measured in 15 cases; nine of these in a dual-sample configuration with two samples of different thicknesses on opposing electrodes, and six in a single-sample configuration with a bare electrode opposite the sample. Details are given on the application of inverse Lagrangian analysis (ILA) to these data, including potential sources of error. The most significant source of systematic error, particularly for single-sample experiments, was found to arise from the pulse-shape dependent free-surface reflected wave interactions with the deviatoric-stress response of tantalum. This could cause local, possibly temporary, unloading of material from a ramp compressed state, and thus multi-value response in wave speed that invalidates the free-surface to in-material velocity mapping step of ILA. By averaging all 15 data sets, a final result for the principal quasi-isentrope of tantalum in stress-strain was obtained to a peak longitudinal stress of 330 GPa with conservative uncertainty bounds of ±4.5% in stress. The result agrees well with a tabular equation of state developed at Los Alamos National Laboratory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Radiation pressure acceleration: The factors limiting maximum attainable ion energy

Radiation pressure acceleration (RPA) is a highly efficient mechanism of laser-driven ion acceleration, with near complete transfer of the laser energy to the ions in the relativistic regime. However, there is a fundamental limit on the maximum attainable ion energy, which is determined by the group velocity of the laser. The tightly focused laser pulses have group velocities smaller than the vacuum light speed, and, since they offer the high intensity needed for the RPA regime, it is plausible that group velocity effects would manifest themselves in the experiments involving tightly focused pulses and thin foils. However, in this case, finite spot size effects are important, and another limiting factor, the transverse expansion of the target, may dominate over the group velocity effect. As the laser pulse diffracts after passing the focus, the target expands accordingly due to the transverse intensity profile of the laser. Due to this expansion, the areal density of the target decreases, making it transparent for radiation and effectively terminating the acceleration. The off-normal incidence of the laser on the target, due either to the experimental setup, or to the deformation of the target, will also lead to establishing a limit on maximum ion energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Pressure-induced phase and chemical transformations of lithium peroxide (Li 2 O 2 )

Here, we present the pressure-induced phase/chemical changes of lithium peroxide (Li 2 O 2 ) to 63 GPa using diamond anvil cells, confocal micro-Raman spectroscopy, and synchrotron x-ray diffraction. The Raman data show the emergence of the major vibrational peaks associated with O 2 above 30 GPa, indicating the subsequent pressure-induced reversible chemical decomposition (disassociation) in dense Li 2 O 2 . The x-ray diffraction data of Li 2 O 2 , on the other hand, show no dramatic structural change but remain well within a P6 3 /mmc structure to 63 GPa. Nevertheless, the Rietveld refinement indicates a subtle change in the structural order parameter z of the oxygen position O (1/3, 2/3, z) at around 35 GPa, which can be considered as a second-order, isostructural phase transition. The nearest oxygen-oxygen distance collapses from 1.56 Å at ambient condition to 1.48 Å at 63 GPa, resulting in a more ionic character of this layered crystal lattice, 3Li + +(LiO 2 )$3-\atop{3}$. This structural change in turn advocates that Li 2 O 2 decomposes to 2Li and O 2 , further augmented by the densification in specific molar volumes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Particle charge distributions in the effluent of a flow-through atmospheric pressure low temperature plasma

Atmospheric pressure low-temperature plasmas are often utilized to perform particle synthesis, treatment, and removal. It is well-known that dust particles are highly negatively charged in these plasmas; however, little is known about dust particle charging behavior as particles leave the plasma volume and pass through the spatial afterglow region. In this work, monodisperse particles of various sizes and work functions were introduced into an atmospheric pressure radiofrequency capacitively coupled flow-through plasma. Dust particle electrical mobility distributions downstream of the flow-through plasma were measured utilizing a differential mobility analyzer in conjunction with a condensation particle counter at various gas flow velocities. Charge distributions were determined from the measured electrical mobility distributions. Experiments confirm that particles become less negatively charged, and even net-positively charged after leaving the plasma volume, with a distribution that follows a shifted Boltzmann charge distribution. Additionally, particle charge in the effluent of the flow-through plasma is negligibly dependent on work function but highly size and flow velocity dependent. Larger particles were shown to have a higher magnitude of charge under all studied conditions; however, particle polarity was switchable by varying gas flow velocity. The charging dynamics were simulated utilizing a constant number Monte Carlo model that accounts for electron temperature decay and the transition from ambipolar to free diffusion of electrons and ions in the spatial afterglow. Simulation results also suggest that, at the same flow velocity, larger particles obtain a greater magnitude of charge, negative or positive. Furthermore, the decrease in electron mobility and the difference between ion and electron convective loss rates create an ion-rich region in the plasma effluent that promotes ion–particle collisions and drives particle charge removal and even reversal of polarity. Larger particles more favorably collide with energetic species in these environments, which results in higher charge states.

atmospheric pressure low temperature plasma↗
DOE OSTI2018

Anharmonicity-induced first-order isostructural phase transition of zirconium under pressure

We have performed a detailed x-ray diffraction structural study of Zr under pressure and unambiguously identify the existence of a first-order isostructural bcc-to-bcc phase transition near 58 GPa. First-principles quantum molecular dynamics calculations support the existence of this phase transition, in excellent agreement with experimental results, triggered by anharmonic effects. Lastly, our results highlight the potential ubiquity of anharmonically driven isostructural transitions within the periodic table under pressure and call for follow-up experimental and theoretical studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Estimates of Ta strength at ultrahigh pressures and strain rates using thin-film graded-density impactors

In this paper, we present results from an experimental technique used to estimate the strength of Ta at extreme pressures (150 GPa) and strain rates (10 7 s -1 ). A graded-density impactor (GDI) was fabricated using sputter deposition to produce an approximately 40-μm-thick film containing alternating layers of Al and Cu. The thicknesses of the respective layers are adjusted to give an effective density gradient through the film. The GDIs were launched with a 2-stage light gas gun, and shock-ramp-release velocity profiles were measured over timescales of ~10 ns. Results are presented for the direct impact of the film onto LiF windows, which allows for a dynamic characterization of the GDI, as well as from impact onto thin (~40μm) sputtered Ta samples backed by a LiF window. The measurements were coupled with mesoscale numerical simulations to infer the strength of Ta, and the results agree well with other high-pressure platforms, particularly when strain-rate, microstructural, and thermodynamic-path differences are considered.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Monoenergetic Proton Beams Accelerated by a Radiation Pressure Driven Shock

We report on the acceleration of impurity-free quasimononenergetic proton beams from an initially gaseous hydrogen target driven by an intense infrared ({lambda} = 10 {micro}m) laser. The front surface of the target was observed by optical probing to be driven forward by the radiation pressure of the laser. A proton beam of MeV energy was simultaneously recorded with narrow energy spread ({sigma}-4%), low normalized emittance (-8 nm), and negligible background. The scaling of proton energy with the ratio of intensity over density (I/n) confirms that the acceleration is due to the radiation pressure driven shock.

08 HYDROGEN↗
DOE OSTI2016

Pressure-Induced Confined Metal from the Mott Insulator Sr 3 Ir 2 O 7

The spin-orbit Mott insulator Sr 3 Ir 2 O 7 provides a fascinating playground to explore insulator-metal transition driven by intertwined charge, spin, and lattice degrees of freedom. Here, we report high-pressure electric resistance and resonant inelastic x-ray scattering measurements on single-crystal Sr 3 Ir 2 O 7 up to 63-65 GPa at 300 K. The material becomes a confined metal at 59.5 GPa, showing metallicity in the ab plane but an insulating behavior along the c axis. Such an unusual phenomenon resembles the strange metal phase in cuprate superconductors. Since there is no sign of the collapse of spin-orbit or Coulomb interactions in x-ray measurements, this novel insulator-metal transition is potentially driven by a first-order structural change at nearby pressures. Our discovery points to a new approach for synthesizing functional materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Cost-Effective Additive Manufacturing of Ambient Pressure-Dried Silica Aerogel

The conventional manufacturing processes for aerogel insulation materials mostly rely on the supercritical drying, which suffers from issues of massive energy consumption, high-cost equipment, and prolonged processing time. Considering the large market demand for the aerogel insulation material in the next decade, a cost-effective and scalable fabrication technique is highly desired. In this paper, a direct ink writing (DIW) method is used to three-dimensionally fabricate the silica aerogel insulation material, followed by room-temperature and ambient pressure drying. Compared with the supercritical drying and freeze-drying techniques, the reported method significantly reduces the fabrication time and costs. The cost-effective DIW technique offers the capability to print complex hollow internal structures, coupled with the porous aerogel structure, it is found to be beneficial for the thermal insulation property. In this work, the addition of fiber to the ink assures the durability of the fabricated product, without sacrificing the thermal insulation performance. The foam ink preparation methods and the printability are demonstrated in this paper, along with the printing of complex three-dimensional geometries. The thermal insulation performance of the printed objects is characterized, and the mechanical properties were also examined. The proposed approach is found to have a 56% reduction in the processing time. The printed silica aerogels exhibit a low thermal conductivity of 0.053 W m –1 K –1 .

36 MATERIALS SCIENCE↗