High pressure cosmochemistry applied to major planetary interiors: Experimental studies

The overall goal of this project is to determine properties of the H-He-C-N-O system, as represented by small molecules composed of these elements, that are needed to constrain theoretical models of the interiors of the major planets. Much of our work now concerns the H2O-NH3 system. This project is the first major effort to measure phase equilibria in binary fluid-solid systems in diamond anvil cells. Vibrational spectroscopy, direct visual observations, and X-ray crystallography of materials confined in externally heated cells are our primary experimental probes. We also are collaborating with the shockwave physics group at Lawrence Livermore Laboratory in studies of the equation of state of a synthetic Uranus fluid and molecular composition of this and other H-C-N-O materials under planetary conditions

High-temperature superconductivity stabilized by electron-hole interband coupling in collapsed tetragonal phase of KFe2As2 under high pressure

We report a high-pressure study of simultaneous low-temperature electrical resistivity and Hall effect measurements on high quality single-crystalline KFe2As2 using designer diamond anvil cell techniques with applied pressures up to 33 GPa. In the low pressure regime, we show that the superconducting transition temperature T_c finds a maximum onset value of 7 K near 2 GPa, in contrast to previous reports that find a minimum T_c and reversal of pressure dependence at this pressure. Upon applying higher pressures, this T_c is diminished until a sudden drastic enhancement occurs coincident with a first-order structural phase transition into a collapsed tetragonal phase. The appearance of a distinct superconducting phase above 13 GPa is also accompanied by a sudden reversal of dominant charge carrier sign, from hole- to electron-like, which agrees with our band calculations predicting the emergence of an electron pocket and diminishment of hole pockets upon Fermi surface reconstruction. Our results suggest the high-temperature superconducting phase in KFe2As2 is substantially enhanced by the presence of nested electron and hole pockets, providing the key ingredient of high-T_c superconductivity in iron pnictide superconductors.Comment: 5 pages, 4 figures; Phys. Rev. B - Rapid Communications (in press

High Pressure Thermoelasticity of Body-centered Cubic Tantalum

We have investigated the thermoelasticity of body-centered cubic (bcc) tantalum from first principles by using the linearized augmented plane wave (LAPW) and mixed--basis pseudopotential methods for pressures up to 400 GPa and temperatures up to 10000 K. Electronic excitation contributions to the free energy were included from the band structures, and phonon contributions were included using the particle-in-a-cell (PIC) model. The computed elastic constants agree well with available ultrasonic and diamond anvil cell data at low pressures, and shock data at high pressures. The shear modulus $c_{44}$ and the anisotropy change behavior with increasing pressure around 150 GPa because of an electronic topological transition. We find that the main contribution of temperature to the elastic constants is from the thermal expansivity. The PIC model in conjunction with fast self-consistent techniques is shown to be a tractable approach to studying thermoelasticity.Comment: To be appear in Physical Review

Melting curve and phase diagram of vanadium under high-pressure and high-temperature conditions

We report a combined experimental and theoretical study of the melting curve and the structural behavior of vanadium under extreme pressure and temperature. We performed powder x-ray diffraction experiments up to 120 GPa and 4000 K, determining the phase boundary of the bcc-to-rhombohedral transition and melting temperatures at different pressures. Melting temperatures have also been established from the observation of temperature plateaus during laser heating, and the results from the density-functional theory calculations. Results obtained from our experiments and calculations are fully consistent and lead to an accurate determination of the melting curve of vanadium. These results are discussed in comparison with previous studies. The melting temperatures determined in this study are higher than those previously obtained using the speckle method, but also considerably lower than those obtained from shock-wave experiments and linear muffin-tin orbital calculations. Finally, a high-pressure high-temperature equation of state up to 120 GPa and 2800 K has also been determined

Pressure-induced alpha-to-omega transition in titanium metal: A systematic study of the effects of uniaxial stress

We investigated the effects of uniaxial stress on the pressure-induced alpha-to-omega transition in pure titanium (Ti) by means of angle dispersive x-ray diffraction in a diamond-anvil cell. Experiments under four different pressure environments reveal that: (1) the onset of the transition depends on the pressure medium used, going from 4.9 GPa (no pressure medium) to 10.5 GPa (argon pressure medium); (2) the a and w phases coexist over a rather large pressure range, which depends on the pressure medium employed; (3) the hysteresis and quenchability of the w phase is affected by differences in the sample pressure environment; and (4) a short term laser-heating of Ti lowers the alpha-to-omega transition pressure. Possible transition mechanisms are discussed in the light of the present results, which clearly demonstrated the influence of uniaxial stress in the alpha-to-omega transition.Comment: 16 pages, 6 figures, 1 tabl

Melting of crystalline solids

It is suggested that at the melting temperature the thermal phonon vibration is in self-resonance with the lattice vibration of the surface atomic/molecular layer. This self resonance occurs at a well defined temperature and triggers the detachment of the atomic/molecular sheet or platelets from the surface of the crystal. Thermodynamic data of five substances is used to test this hypothesis. The calculated average phonon vibrational wavelengths are equal with or harmonics of the d-spacing of the atomic/molecular sheets. The proposed model is able to explain all of the features of melting.Comment: supercooling and ultra-fast speed of the phase transition is added as requirements for the explanation of meltin

Effects of breathing maneuver and sitting posture on muscle activity in inspiratory accessory muscles in patients with chronic obstructive pulmonary disease

BACKGROUND: To determine the influence of breathing maneuver and sitting posture on tidal volume (TV), respiratory rate (RR), and muscle activity of the inspiratory accessory muscles in patients with chronic obstructive pulmonary disease (COPD). METHODS: Twelve men with COPD participated in the study. Inductive respiratory plethysmography and surface electromyography were used to simultaneously measure TV, RR, and muscle activity of the inspiratory accessory muscles [the scalenus (SM), sternocleidomastoid (SCM), and pectoralis major (PM) muscles] during quiet natural breathing (QB) and pursed-lips breathing (PLB) in three sitting postures: neutral position (NP), with armm support (WAS), and with arm and head support (WAHS). RESULTS: Two-way repeated-measures analysis of variance was employed. In a comparison of breathing patterns, PLB significantly increased TV and decreased RR compared to QB. Muscle activity in the SM and SCM increased significantly in PLB compared to QB. In a comparison of sitting postures, the muscle activity of the SM, SCM, and PM increased in the forward-leaning position. CONCLUSIONS: The results suggest that in COPD, PLB induced a favorable breathing pattern (increased TV and reduced RR) compared to QB. Additionally, WAS and WAHS positions increased muscle activity of the inspiratory accessory muscles during inspiration versus NP. Differential involvement of accessory respiratory muscles can be readily studied in COPD patients, allowing monitoring of respiratory load during pulmonary rehabilitation

Melting of tantalum at high pressure determined by angle dispersive x-ray diffraction in a double-sided laser-heated diamond-anvil cell

The high pressure and high temperature phase diagram of Ta has been studied in a laser-heated diamond-anvil cell (DAC) using x-ray diffraction measurements up to 52 GPa and 3800 K. The melting was observed at nine different pressures, being the melting temperature in good agreement with previous laser-heated DAC experiments, but in contradiction with several theoretical calculations and previous piston-cylinder apparatus experiments. A small slope for the melting curve of Ta is estimated (dTm/dP = 24 K/GPa at 1 bar) and a possible explanation for this behaviour is given. Finally, a P-V-T equation of states is obtained, being the temperature dependence of the thermal expansion coefficient and the bulk modulus estimated.Comment: 31 pages, 8 figures, to appear in J.Phys.:Cond.Matte

Ultrahard carbon film from epitaxial two-layer graphene

Atomically thin graphene exhibits fascinating mechanical properties, although its hardness and transverse stiffness are inferior to those of diamond. To date, there hasn't been any practical demonstration of the transformation of multi-layer graphene into diamond-like ultra-hard structures. Here we show that at room temperature and after nano-indentation, two-layer graphene on SiC(0001) exhibits a transverse stiffness and hardness comparable to diamond, resisting to perforation with a diamond indenter, and showing a reversible drop in electrical conductivity upon indentation. Density functional theory calculations suggest that upon compression, the two-layer graphene film transforms into a diamond-like film, producing both elastic deformations and sp2-to-sp3 chemical changes. Experiments and calculations show that this reversible phase change is not observed for a single buffer layer on SiC or graphene films thicker than 3 to 5 layers. Indeed, calculations show that whereas in two-layer graphene layer-stacking configuration controls the conformation of the diamond-like film, in a multilayer film it hinders the phase transformation.Comment: Published online on Nature Nanotechnology on December 18, 201