Structural relaxation driven increase in elastic modulus for a bulk metallic glass

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arora, Harpreet Singh; Aditya, Ayyagari V.; Mukherjee, Sundeep, E-mail: sundeep.mukherjee@unt.edu

2015-01-07

The change in elastic modulus as a function of temperature was investigated for a zirconium-based bulk metallic glass. High temperature nano-indentation was done over a wide temperature range from room temperature to the glass-transition. At higher temperature, there was a transition from inhomogeneous to homogeneous deformation, with a decrease in serrated flow and an increase in creep displacement. Hardness was found to decrease, whereas elastic modulus was found to increase with temperature. The increase in elastic modulus for metallic glass at higher temperature was explained by diffusive rearrangement of atoms resulting in free volume annihilation. This is in contrast tomore » elastic modulus increase with temperature for silicate glasses due to compaction of its open three dimensional coordinated structure without any atomic diffusion.« less

High pressure phase transformation in uranium carbide: A first principle study

NASA Astrophysics Data System (ADS)

Sahoo, B. D.; Joshi, K. D.; Gupta, Satish C.

2013-02-01

First principles calculations have been carried out to analyze structural, elastic and dynamic stability, of UC under hydrostatic compression. The comparison of enthalpies of rocksalt type (B1) and body centered orthorhombic (bco) structures as a function of pressure suggests the B1 →bco transition at ˜ 23 GPa, in good agreement with experimental value of 27 GPa. From the lattice dynamic calculations we have determined the phonon dispersion relations for B1 phase at various compressions. It is found that TA phonon branch along Γ-X direction becomes imaginary around the transition pressure. Further, the phonon instability so caused is of long wavelength nature as it occurs near the Brillouin zone centre. This long wavelength phonon instability at the transition point indicates that the B1 →bco transition is driven by elastic failure (the vanishing of C44 modulus). Various physical quantities such as equilibrium volume, bulk modulus, pressure derivative of bulk modulus and elastic constants have been determined at zero pressure and compared with data available in literature.

Soft resonator of omnidirectional resonance for acoustic metamaterials with a negative bulk modulus

PubMed Central

Jing, Xiaodong; Meng, Yang; Sun, Xiaofeng

2015-01-01

Monopolar resonance is of fundamental importance in the acoustic field. Here, we present the realization of a monopolar resonance that goes beyond the concept of Helmholtz resonators. The balloon-like soft resonator (SR) oscillates omnidirectionally and radiates from all parts of its spherical surface, eliminating the need for a hard wall for the cavity and baffle effects. For airborne sound, such a low-modulus resonator can be made extremely lightweight. Deep subwavelength resonance is achieved when the SR is tuned by adjusting the shell thickness, benefiting from the large density contrast between the shell material and the encapsulated gas. The SR resonates with near-perfect monopole symmetry, as demonstrated by the theoretical and experimental results, which are in excellent agreement. For a lattice of SRs, a band gap occurs and blocks near-total transmission, and the effective bulk modulus exhibits a prominent negative band, while the effective mass density remains unchanged. Our study shows that the SR is suitable for building 3D acoustic metamaterials and provides a basis for constructing left-handed materials as a new means of creating a negative bulk modulus. PMID:26538085

From chemistry to mechanics: bulk modulus evolution of Li-Si and Li-Sn alloys via the metallic electronegativity scale.

PubMed

Li, Keyan; Xie, Hui; Liu, Jun; Ma, Zengsheng; Zhou, Yichun; Xue, Dongfeng

2013-10-28

Toward engineering high performance anode alloys for Li-ion batteries, we proposed a useful method to quantitatively estimate the bulk modulus of binary alloys in terms of metallic electronegativity (EN), alloy composition and formula volume. On the basis of our proposed potential viewpoint, EN as a fundamental chemistry concept can be extended to be an important physical parameter to characterize the mechanical performance of Li-Si and Li-Sn alloys as anode materials for Li-ion batteries. The bulk modulus of binary alloys is linearly proportional to the combination of average metallic EN and atomic density of alloys. We calculated the bulk moduli of Li-Si and Li-Sn alloys with different Li concentrations, which can agree well with the reported data. The bulk modulus of Li-Si and Li-Sn alloys decreases with increasing Li concentration, leading to the elastic softening of the alloys, which is essentially caused by the decreased strength of constituent chemical bonds in alloys from the viewpoint of EN. This work provides a deep understanding of mechanical failure of Si and Sn anodes for Li-ion batteries, and permits the prediction of the composition dependent bulk modulus of various lithiated alloys on the basis of chemical formula, metallic EN and cell volume (or alloy density), with no structural details required.

Exploration of phase transition in Th2C under pressure: An Ab-initio investigation

NASA Astrophysics Data System (ADS)

Sahoo, B. D.; Joshi, K. D.; Kaushik, T. C.

2018-05-01

With the motivation of searching for new compounds in the Th-C system, we have performed ab initio evolutionary searches for all the stable compounds in this binary system in the pressure range of 0-100 GPa. We have found previously unknown, thermodynamically stable, composition Th2C along with experimentally known ThC, ThC2 and Th2C3 phases at 0 GPa. Interestingly at pressure of 13 GPa the predicted ground state orthorhombic (SG no. 59, Pmmn) phase of Th2C transforms to trigonal (SG no. 164, P-3m1) phase. We also find the mechanical and dynamical stability of both the phases. Further, the theoretically determined equation of state has been utilized to derive various physical quantities such as zero pressure equilibrium volume, bulk modulus, and pressure derivative of bulk modulus of Pmmn phase at ambient conditions.

Elastic Properties across the y→α Volume Collapse in Cerium versus Pressure and Temperature

DOE PAGES

Lipp, M. J.; Jenei, Zs.; Cynn, H.; ...

2017-10-31

Here, the longitudinal and transverse sound speeds, c L and c T, of polycrystalline cerium were measured isothermally vs pressure up to the critical temperature across the iso-structural γ-α volume collapse (VC) phase transition. We deduce values for the adiabatic bulk modulus BS, the shear modulus G = ρc T 2, the Poisson’s ratio ν and the Debye temperature, θ D(p). We find that the elastic constant C 12 is solely responsible for the decrease of B S with pressure towards the VC at RT. With increasing temperature, the lattice contribution ΔS vib(γ→α) to the total entropy change across themore » VC decreases more rapidly to zero than the total entropy itself suggesting that another mechanism, possibly disorder, assists in stabilizing the γ-phase entropically against the α-phase. Also, with increasing temperature, the Poisson’s ratio becomes negative near the VC transition, meaning that cerium metal takes on auxetic characteristics over a small pressure range. At the critical point the Poisson’s ratio ought to be -1, since the isothermal bulk modulus vanishes and the shear modulus remains nonzero.« less

Elastic Properties across the y→α Volume Collapse in Cerium versus Pressure and Temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lipp, M. J.; Jenei, Zs.; Cynn, H.

Here, the longitudinal and transverse sound speeds, c L and c T, of polycrystalline cerium were measured isothermally vs pressure up to the critical temperature across the iso-structural γ-α volume collapse (VC) phase transition. We deduce values for the adiabatic bulk modulus BS, the shear modulus G = ρc T 2, the Poisson’s ratio ν and the Debye temperature, θ D(p). We find that the elastic constant C 12 is solely responsible for the decrease of B S with pressure towards the VC at RT. With increasing temperature, the lattice contribution ΔS vib(γ→α) to the total entropy change across themore » VC decreases more rapidly to zero than the total entropy itself suggesting that another mechanism, possibly disorder, assists in stabilizing the γ-phase entropically against the α-phase. Also, with increasing temperature, the Poisson’s ratio becomes negative near the VC transition, meaning that cerium metal takes on auxetic characteristics over a small pressure range. At the critical point the Poisson’s ratio ought to be -1, since the isothermal bulk modulus vanishes and the shear modulus remains nonzero.« less

Exploration of phase transition in ThS under pressure: An ab-initio investigation

NASA Astrophysics Data System (ADS)

Sahoo, B. D.; Mukherjee, D.; Joshi, K. D.; Kaushik, T. C.

2018-04-01

The ab-initio total energy calculations have been performed in thorium sulphide (ThS) to explore its high pressure phase stability. Our calculations predict a phase transformation from ambient rocksalt type structure (B1 phase) to a rhombohedral structure (R-3m phase) at ˜ 15 GPa and subsequently R-3m phase transforms to CsCl type structure (B2 phase) at ˜ 45 GPa. The first phase transition has been identified as second order type; whereas, the second transition is of first order type with volume discontinuity of 6.5%. The predicted high pressure R-3m phase is analogous to the experimentally observed hexagonal (distorted fcc) phase (Benedict et al., J. Less-Common Met., 1984) above 20 GPa. Further, using these calculations we have derived the equation of state which has been utilized to determine various physical quantities such as zero pressure equilibrium volume, bulk modulus, and pressure derivative of bulk modulus at ambient conditions.

Investigation of the bulk modulus of silica aerogel using molecular dynamics simulations of a coarse-grained model.

PubMed

Ferreiro-Rangel, Carlos A; Gelb, Lev D

2013-06-13

Structural and mechanical properties of silica aerogels are studied using a flexible coarse-grained model and a variety of simulation techniques. The model, introduced in a previous study (J. Phys. Chem. C 2007, 111, 15792-15802), consists of spherical "primary" gel particles that interact through weak nonbonded forces and through microscopically motivated interparticle bonds that may break and form during the simulations. Aerogel models are prepared using a three-stage protocol consisting of separate simulations of gelation, aging, and a final relaxation during which no further bond formation is permitted. Models of varying particle size, density, and size dispersity are considered. These are characterized in terms of fractal dimensions and pore size distributions, and generally good agreement with experimental data is obtained for these metrics. The bulk moduli of these materials are studied in detail. Two different techniques for obtaining the bulk modulus are considered, fluctuation analysis and direct compression/expansion simulations. We find that the fluctuation result can be subject to systematic error due to coupling with the simulation barostat but, if performed carefully, yields results equivalent with those of compression/expansion experiments. The dependence of the bulk modulus on density follows a power law with an exponent between 3.00 and 3.15, in agreement with reported experimental results. The best correlate for the bulk modulus appears to be the volumetric bond density, on which there is also a power law dependence. Polydisperse models exhibit lower bulk moduli than comparable monodisperse models, which is due to lower bond densities in the polydisperse materials.

Determinants of systemic zero-flow arterial pressure.

PubMed

Brunner, M J; Greene, A S; Sagawa, K; Shoukas, A A

1983-09-01

Thirteen pentobarbital-anesthetized dogs whose carotid sinuses were isolated and perfused at a constant pressure were placed on total cardiac bypass. With systemic venous pressure held at 0 mmHg (condition 1), arterial inflow was stopped for 20 s at intrasinus pressures of 50, 125, and 200 mmHg. Zero-flow arterial pressures under condition 1 were 16.2 +/- 1.3 (SE), 13.8 +/- 1.1, and 12.5 +/- 0.8 mmHg, respectively. In condition 2, the venous outflow tube was clamped at the instant of stopping the inflow, causing venous pressure to rise. The zero-flow arterial pressures were 19.7 +/- 1.3, 18.5 +/- 1.4, and 16.4 +/- 1.2 mmHg for intrasinus pressures of 50, 125, and 200 mmHg, respectively. At all levels of intrasinus pressure, the zero-flow arterial pressure in condition 2 was higher (P less than 0.005) than in condition 1. In seven dogs, at an intrasinus pressure of 125 mmHg, epinephrine increased the zero-flow arterial pressure by 3.0 mmHg, whereas hexamethonium and papaverine decreased the zero-flow arterial pressure by 2 mmHg. Reductions in the hematocrit from 52 to 11% resulted in statistically significant changes (P less than 0.01) in zero-flow arterial pressures. Thus zero-flow arterial pressure was found to be affected by changes in venous pressure, hematocrit, and vasomotor tone. The evidence does not support the literally interpreted concept of the vascular waterfall as the model for the finite arteriovenous pressure difference at zero flow.

Relevance of Kondo physics for the temperature dependence of the bulk modulus in plutonium

DOE PAGES

Janoschek, Marc; Lander, Gerry; Lawrence, Jon M.; ...

2017-01-10

The recent PNAS paper by Migliori et al. (1) attempts to explain the unusually strong temperature dependence of the bulk modulus of fcc plutonium (δ-Pu) by use of the disordered local moment (DLM) model. It is our opinion that this approach does not correctly incorporate the dynamic magnetism of δ-Pu. We provide the following note as commentary.

Observation weights unlock bulk RNA-seq tools for zero inflation and single-cell applications.

PubMed

Van den Berge, Koen; Perraudeau, Fanny; Soneson, Charlotte; Love, Michael I; Risso, Davide; Vert, Jean-Philippe; Robinson, Mark D; Dudoit, Sandrine; Clement, Lieven

2018-02-26

Dropout events in single-cell RNA sequencing (scRNA-seq) cause many transcripts to go undetected and induce an excess of zero read counts, leading to power issues in differential expression (DE) analysis. This has triggered the development of bespoke scRNA-seq DE methods to cope with zero inflation. Recent evaluations, however, have shown that dedicated scRNA-seq tools provide no advantage compared to traditional bulk RNA-seq tools. We introduce a weighting strategy, based on a zero-inflated negative binomial model, that identifies excess zero counts and generates gene- and cell-specific weights to unlock bulk RNA-seq DE pipelines for zero-inflated data, boosting performance for scRNA-seq.

Temperature and pressure dependent thermodynamic behavior of 2H-CuInO2

NASA Astrophysics Data System (ADS)

Bhamu, K. C.

2018-05-01

Density functional theory and quasi-harmonic Debye model has been used to study the thermodynamic properties of 2H-CuInO2. At the optimized structural parameters, pressure (0 to 80 GPa) dependent variation in the various thermodynamic properties, i.e. unit cell volume (V), bulk modulus (B), specific heat (Cv), Debye temperature (θD), Grüneisen parameter (γ) and thermal expansion coefficient (α) are calculated for various temperature values. The results predict that the pressure has significant effect on unit cell volume and bulk modulus while the temperature shows negligible effect on both parameters. With increasing temperature thermal expansion coefficient increase while with increasing pressure it decreases. The specific heat remains close to zero for ambient pressure and temperature values and it increases with increasing temperature. It is observed that the pressure has high impact on Debye temperature and Grüneisen parameter instead of temperature. Debye temperature and Grüneisen parameter both remains almost constant for the temperature range (0-300K) while Grüneisen parameter decrease with increasing pressure at constant temperature and Debye temperature increases rapidly with increasing pressure. An increase in Debye temperature with respect to pressure shows that the thermal vibration frequency changes rapidly.

Semiempirical models of shear modulus at shock temperatures and pressures

NASA Astrophysics Data System (ADS)

Elkin, Vaytcheslav; Mikhaylov, Vadim; Mikhaylova, Tatiana

2011-06-01

The work is devoted to a comparison of capabilities the Steinberg-Cochran-Guinan and Burakovsky-Preston models of shear modulus offer for the description of experimental and calculated (ab initio) data at temperatures and pressures representative of solid state behind the shock front. Also, the SCG model is modernized by changing from the (P,V) variables to the (V,T) ones and adding a free parameter. The resulted model is then referred to as the (V,T)-model. The three models are tested for 9 metals (Al, Be, Cu, K, Na, Mg, Mo, W, Ta) with using ab initio and experimental values of shear modulus in a wide range of pressures as well as longitudinal sound velocities behind the shock front.

On the role of API in determining porosity, pore structure and bulk modulus of the skeletal material in pharmaceutical tablets formed with MCC as sole excipient.

PubMed

Ridgway, Cathy; Bawuah, Prince; Markl, Daniel; Zeitler, J Axel; Ketolainen, Jarkko; Peiponen, Kai-Erik; Gane, Patrick

2017-06-30

The physical properties and mechanical integrity of pharmaceutical tablets are of major importance when loading with active pharmaceutical ingredient(s) (API) in order to ensure ease of processing, control of dosage and stability during transportation and handling prior to patient consumption. The interaction between API and excipient, acting as functional extender and binder, however, is little understood in this context. The API indomethacin is combined in this study with microcrystalline cellulose (MCC) at increasing loading levels. Tablets from the defined API/MCC ratios are made under conditions of controlled porosity and tablet thickness, resulting from different compression conditions, and thus compaction levels. Mercury intrusion porosimetry is used to establish the accessible pore volume, pore size distribution and, adopting the observed region of elastic intrusion-extrusion at high pressure, an elastic bulk modulus of the skeletal material is recorded. Porosity values are compared to previously published values derived from terahertz (THz) refractive index data obtained from exactly the same tablet sample sets. It is shown that the elastic bulk modulus is dependent on API wt% loading under constant tablet preparation conditions delivering equal dimensions and porosity. The findings are considered of novel value in respect to establishing consistency of tablet production and optimisation of physical properties. Copyright © 2017 Elsevier B.V. All rights reserved.

A first principle calculation of anisotropic elastic, mechanical and electronic properties of TiB

NASA Astrophysics Data System (ADS)

Zhang, Junqin; Zhao, Bin; Ma, Huihui; Wei, Qun; Yang, Yintang

2018-04-01

The structural, mechanical and electronic properties of the NaCl-type structure TiB are theoretically calculated based on the first principles. The density of states of TiB shows obvious density peaks at -0.70eV. Furthermore, there exists a pseudogap at 0.71eV to the right of the Fermi level. The calculated structural and mechanical parameters (i.e., bulk modulus, shear modulus, Young's modulus, Poisson's ratio and universal elastic anisotropy index) were in good agreement both with the previously reported experimental values and theoretical results at zero pressure. The mechanical stability criterion proves that TiB at zero pressure is mechanistically stable and exhibits ductility. The universal anisotropic index and the 3D graphics of Young's modulus are also given in this paper, which indicates that TiB is anisotropy under zero pressure. Moreover, the effects of applied pressures on the structural, mechanical and anisotropic elastic of TiB were studied in the range from 0 to 100GPa. It was found that ductility and anisotropy of TiB were enhanced with the increase of pressure.

Prediction of new high pressure structural sequence in thorium carbide: A first principles study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sahoo, B. D., E-mail: bdsahoo@barc.gov.in; Joshi, K. D.; Gupta, Satish C.

2015-05-14

In the present work, we report the detailed electronic band structure calculations on thorium monocarbide. The comparison of enthalpies, derived for various phases using evolutionary structure search method in conjunction with first principles total energy calculations at several hydrostatic compressions, yielded a high pressure structural sequence of NaCl type (B1) → Pnma → Cmcm → CsCl type (B2) at hydrostatic pressures of ∼19 GPa, 36 GPa, and 200 GPa, respectively. However, the two high pressure experimental studies by Gerward et al. [J. Appl. Crystallogr. 19, 308 (1986); J. Less-Common Met. 161, L11 (1990)] one up to 36 GPa and other up to 50 GPa, onmore » substoichiometric thorium carbide samples with carbon deficiency of ∼20%, do not report any structural transition. The discrepancy between theory and experiment could be due to the non-stoichiometry of thorium carbide samples used in the experiment. Further, in order to substantiate the results of our static lattice calculations, we have determined the phonon dispersion relations for these structures from lattice dynamic calculations. The theoretically calculated phonon spectrum reveal that the B1 phase fails dynamically at ∼33.8 GPa whereas the Pnma phase appears as dynamically stable structure around the B1 to Pnma transition pressure. Similarly, the Cmcm structure also displays dynamic stability in the regime of its structural stability. The B2 phase becomes dynamically stable much below the Cmcm to B2 transition pressure. Additionally, we have derived various thermophysical properties such as zero pressure equilibrium volume, bulk modulus, its pressure derivative, Debye temperature, thermal expansion coefficient and Gruneisen parameter at 300 K and compared these with available experimental data. Further, the behavior of zero pressure bulk modulus, heat capacity and Helmholtz free energy has been examined as a function temperature and compared with the experimental data of Danan

Estimation of the Young's modulus of the human pars tensa using in-situ pressurization and inverse finite-element analysis.

PubMed

Rohani, S Alireza; Ghomashchi, Soroush; Agrawal, Sumit K; Ladak, Hanif M

2017-03-01

Finite-element models of the tympanic membrane are sensitive to the Young's modulus of the pars tensa. The aim of this work is to estimate the Young's modulus under a different experimental paradigm than currently used on the human tympanic membrane. These additional values could potentially be used by the auditory biomechanics community for building consensus. The Young's modulus of the human pars tensa was estimated through inverse finite-element modelling of an in-situ pressurization experiment. The experiments were performed on three specimens with a custom-built pressurization unit at a quasi-static pressure of 500 Pa. The shape of each tympanic membrane before and after pressurization was recorded using a Fourier transform profilometer. The samples were also imaged using micro-computed tomography to create sample-specific finite-element models. For each sample, the Young's modulus was then estimated by numerically optimizing its value in the finite-element model so simulated pressurized shapes matched experimental data. The estimated Young's modulus values were 2.2 MPa, 2.4 MPa and 2.0 MPa, and are similar to estimates obtained using in-situ single-point indentation testing. The estimates were obtained under the assumptions that the pars tensa is linearly elastic, uniform, isotropic with a thickness of 110 μm, and the estimates are limited to quasi-static loading. Estimates of pars tensa Young's modulus are sensitive to its thickness and inclusion of the manubrial fold. However, they do not appear to be sensitive to optimization initialization, height measurement error, pars flaccida Young's modulus, and tympanic membrane element type (shell versus solid). Copyright © 2017 Elsevier B.V. All rights reserved.

Optical zero-differential pressure switch and its evaluation in a multiple pressure measuring system

NASA Technical Reports Server (NTRS)

Powell, J. A.

1977-01-01

The design of a clamped-diaphragm pressure switch is described in which diaphragm motion is detected by a simple fiber-optic displacement sensor. The switch was evaluated in a pressure measurement system where it detected the zero crossing of the differential pressure between a static test pressure and a tank pressure that was periodically ramped from near zero to fullscale gage pressure. With a ramping frequency of 1 hertz and a full-scale tank pressure of 69 N/sq cm gage (100 psig), the switch delay was as long as 2 milliseconds. Pressure measurement accuracies were 0.25 to 0.75 percent of full scale. Factors affecting switch performance are also discussed.

Effect of Residual Noncondensables on Pressurization and Pressure Control of a Zero-Boil-Off Tank in Microgravity

NASA Technical Reports Server (NTRS)

Kassemi, Mohammad; Hylton, Sonya; Kartizova, Olga

2013-01-01

The Zero-Boil-Off Tank (ZBOT) Experiment is a small-scale experiment that uses a transparent ventless Dewar and a transparent simulant phase-change fluid to study sealed tank pressurization and pressure control with applications to on-surface and in-orbit storage of propellant cryogens. The experiment will be carried out under microgravity conditions aboard the International Space Station in the 2014 timeframe. This paper presents preliminary results from ZBOT's ground-based research that focuses on the effects of residual noncondensable gases in the ullage on both pressurization and pressure reduction trends in the sealed Dewar. Tank pressurization is accomplished through heating of the test cell wall in the wetted and un-wetted regions simultaneously or separately. Pressure control is established through mixing and destratification of the bulk liquid using a temperature controlled forced jet flow with different degrees of liquid jet subcooling. A Two-Dimensional axisymmetric two-phase CFD model for tank pressurization and pressure control is also presented. Numerical prediction of the model are compared to experimental 1g results to both validate the model and also indicate the effect of the noncondensable gas on evolution of pressure and temperature distributions in the ullage during pressurization and pressure control. Microgravity simulations case studies are also performed using the validated model to underscore and delineate the profound effect of the noncondensables on condensation rates and interfacial temperature distributions with serious implications for tank pressure control in reduced gravity.

High-pressure X-ray diffraction and Raman spectroscopy of CaFe2O4-type β-CaCr2O4

NASA Astrophysics Data System (ADS)

Zhai, Shuangmeng; Yin, Yuan; Shieh, Sean R.; Shan, Shuangming; Xue, Weihong; Wang, Ching-Pao; Yang, Ke; Higo, Yuji

2016-04-01

In situ high-pressure synchrotron X-ray diffraction and Raman spectroscopic studies of orthorhombic CaFe2O4-type β-CaCr2O4 chromite were carried out up to 16.2 and 32.0 GPa at room temperature using multi-anvil apparatus and diamond anvil cell, respectively. No phase transition was observed in this study. Fitting a third-order Birch-Murnaghan equation of state to the P-V data yields a zero-pressure volume of V 0 = 286.8(1) Å3, an isothermal bulk modulus of K 0 = 183(5) GPa and the first pressure derivative of isothermal bulk modulus K 0' = 4.1(8). Analyses of axial compressibilities show anisotropic elasticity for β-CaCr2O4 since the a-axis is more compressible than the b- and c-axis. Based on the obtained and previous results, the compressibility of several CaFe2O4-type phases was compared. The high-pressure Raman spectra of β-CaCr2O4 were analyzed to determine the pressure dependences and mode Grüneisen parameters of Raman-active bands. The thermal Grüneisen parameter of β-CaCr2O4 is determined to be 0.93(2), which is smaller than those of CaFe2O4-type CaAl2O4 and MgAl2O4.

Two zero-flow pressure intercepts exist in autoregulating isolated skeletal muscle.

PubMed

Braakman, R; Sipkema, P; Westerhof, N

1990-06-01

The autoregulating vascular bed of the isolated canine extensor digitorum longus muscle was investigated for the possible existence of two positive zero-flow pressure axis intercepts, a tone-dependent one and a tone-independent one. An isolated preparation, perfused with autologous blood, was used to exclude effects of collateral flow and nervous and humoral regulation while autoregulation was left intact [mean autoregulatory gain 0.50 +/- 0.24 (SD)]. In a first series of experiments, the steady-state (zero flow) pressure axis intercept [mean 8.9 +/- 2.6 (SD) mmHg, tone independent] and the instantaneous (zero flow) pressure axis intercept [mean 28.5 +/- 9.9 (SD) mmHg, tone dependent] were determined as a function of venous pressure (range: 0-45 mmHg) and were independent of venous pressure until the venous pressure exceeded their respective values. Beyond this point the relations between the venous pressure and the steady-state and instantaneous pressure axis intercept followed the line of identity. The findings agree with the predictions of the vascular waterfall model. In a second series it was shown by means of administration of vasoactive drugs that the instantaneous pressure axis intercept is tone dependent, whereas the steady-state pressure axis intercept is not. It is concluded that there is a (proximal) tone-dependent zero-flow pressure at the arteriolar level and a (distal) tone-independent zero-flow pressure at the venous level.

Equation of state of U2Mo up-to Mbar pressure range: Ab-initio study

NASA Astrophysics Data System (ADS)

Mukherjee, D.; Sahoo, B. D.; Joshi, K. D.; Kaushik, T. C.

2018-04-01

Experimentally, U2Mo is known to exist in tetragonal structure at ambient conditions. In contrast to experimental reports, the past theoretical studies carried out in this material do not find this phase to be stable structure at zero pressure. In order to examine this discrepancy between experiment and theory, we have performed ab-initio electronic band structure calculations on this material. In our theoretical study, we have attempted to search for lowest enthalpy structure at ambient as well at high pressure up to 200 GPa, employing evolutionary structure search algorithm in conjunction with ab-inito method. Our investigations suggest that a hexagonal structure with space group symmetry P6/mmm is the lowest enthalpy structure not only at ambient pressure but also up to pressure range of ˜200 GPa. To further, substantiate the results of these static lattice calculations the elastic and lattice dynamical stability has also been analysed. The theoretical isotherm derived from these calculations has been utilized to determine the Hugoniot of this material. Various physical properties such as zero pressure equilibrium volume, bulk modulus and its pressure derivative has also been derived from theoretical isotherm.

Prediction of B1 to B10 phase transition in LuN under pressure: An ab-initio investigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sahoo, B. D., E-mail: bdsahoo@barc.gov.in; Mukherjee, D.; Joshi, K. D.

2016-05-23

Ab-initio total energy calculations have been performed in lutetium nitride (LuN) as a function of hydrostatic compression to understand the high pressure behavior of this compound. Our calculations predict a phase transition from ambient rocksalt type structure (B1 phase) to a tetragonal structure (B10 phase) at ~ 240 GPa. The phase transition has been identified as first order in nature with volume discontinuity of ~ 6%. The predicted high pressure phase has been found to be stable up to at least 400 GPa, the maximum pressure up to which calculations have been performed.Further, to substantiate the results of static lattice calculations analysismore » of lattice dynamic stability of B1 and B10 phase has been carried out at different pressures. Apart from this, we have analyzed the lattice dynamic stability CsCl type (B2) phase around the 240 GPa, the pressure reported for B1 to B2 transition in previous all-electron calculations by Gupta et al. 2013. We find that the B2 structure is lattice dynamically unstable at this pressure and remains unstable up to ~ 400 GPa, ruling out the possibility of B1 to B2 phase transition at least up to ~ 400 GPa. Further, the theoretically determined equation of state has been utilized to derive various physical quantities such as zero pressure equilibrium volume, bulk modulus, and pressure derivative of bulk modulus of B1 phase at ambient conditions.« less

Semiempirical models for description of shear modulus in wide ranges of temperatures and pressures of shock compression

NASA Astrophysics Data System (ADS)

El'Kin, V. M.; Mikhailov, V. N.; Mikhailova, T. Yu.

2011-12-01

In this paper, we discuss the potentials of the Steinberg-Cochran-Guinan (SCG) and Burakovsky-Preston (BP) models for the description of the shear-modulus behavior at temperatures and pressures that arise behind the shock-wave front. A modernized variant of the SCG model is suggested, which reduces to the introduction of a free parameter and the representation of the model in the volume-temperature coordinates (( V, T) model). A systematic comparison is performed of all three models of shear modulus with experimental data and data of ab initio calculations for metals such as Al, Be, Cu, K, Na, Mg, Mo, W, and Ta in a wide range of pressures. In addition, for Al, Cu, Mo, W, and Ta there is performed a comparison with the known temperature dependences of the shear modulus and with the results of measurements of the velocities of longitudinal sound behind the shock-wave front. It is shown that in the original form the SCG and BP models give overestimated values of the shear modulus as compared to the data of ab initio calculations and shock-wave experiments. The ( V, T) model, due to the use of a free parameter, makes it possible to optimally describe the totality of experimental and calculated data. The same result is achieved in the case of the BP model after a redefining of its initial parameters. The adequate description of the shear modulus in the range of high intermediate pressures characteristic of the solid-phase states behind the shock-wave front is accompanied in both cases by the violation of the correct asymptotic behavior of the shear modulus at ultrahigh compressions which is originally laid into the SCG and BP models.

Zero-Boil-Off Tank (ZBOT) Experiment: Ground-Based Validation of Self-Pressurization and Pressure Control Two-Phase CFD Model

NASA Technical Reports Server (NTRS)

Kassemi, Mohammad; Hylton, Sonya; Kartuzova, Olga

2017-01-01

Integral to all phases of NASA's projected space and planetary expeditions is affordable and reliable cryogenic fluid storage for use in propellant or life support systems. Cryogen vaporization due to heat leaks into the tank from its surroundings and support structure can cause self-pressurization relieved through venting. This has led to a desire to develop innovative pressure control designs based on mixing of the bulk tank fluid together with some form of active or passive cooling to allow storage of the cryogenic fluid with zero or reduced boil-off. The Zero-Boil-Off Tank (ZBOT) Experiments are a series of small scale tank pressurization and pressure control experiments aboard the International Space Station (ISS) that use a transparent volatile simulant fluid in a transparent sealed tank to delineate various fundamental fluid flow, heat and mass transport, and phase change phenomena that control storage tank pressurization and pressure control in microgravity. The hardware for ZBOT-1 flew to ISS on the OA-7 flight in April 2017 and operations are planned to begin in September 2017, encompassing more than 90 tests. This paper presents preliminary results from ZBOT's ground-based research delineating both pressurization and pressure reduction trends in the sealed test tank. Tank self-pressurization tests are conducted under three modes: VJ heating, strip heating and simultaneous VJ and strip heating in attempt to simulate heat leaks from the environment, the support structure and both. The jet mixing pressure control studies are performed either from an elevated uniform temperature condition or from thermally stratified conditions following a self-pressurization run. Jet flow rates are varied from 2-25 cm/s spanning a range of jet Re number in laminar, transitional, and turbulent regimes and a range of Weber numbers covering no ullage penetration, partial penetration and complete ullage penetration and break-up (only in microgravity). Numerical prediction of a

High bulk modulus of ionic liquid and effects on performance of hydraulic system.

PubMed

Kambic, Milan; Kalb, Roland; Tasner, Tadej; Lovrec, Darko

2014-01-01

Over recent years ionic liquids have gained in importance, causing a growing number of scientists and engineers to investigate possible applications for these liquids because of their unique physical and chemical properties. Their outstanding advantages such as nonflammable liquid within a broad liquid range, high thermal, mechanical, and chemical stabilities, low solubility for gases, attractive tribological properties (lubrication), and very low compressibility, and so forth, make them more interesting for applications in mechanical engineering, offering great potential for new innovative processes, and also as a novel hydraulic fluid. This paper focuses on the outstanding compressibility properties of ionic liquid EMIM-EtSO4, a very important physical chemically property when IL is used as a hydraulic fluid. This very low compressibility (respectively, very high Bulk modulus), compared to the classical hydraulic mineral oils or the non-flammable HFDU type of hydraulic fluids, opens up new possibilities regarding its usage within hydraulic systems with increased dynamics, respectively, systems' dynamic responses.

A new method to study he effective shear modulus of shocked material

NASA Astrophysics Data System (ADS)

Xiaojuan, Ma; Fusheng, Liu

2013-06-01

Shear modulus is a crucial material parameter for description of mechanical behavior. However, at strong shock compression, it is generally deduced from the longitudinal and bulk sound velocity evaluated by unloading wave profile measurement. Here, a new method called the disturbed amplitude damping method of shock wave is presented, that can directly measure the shear modulus of material. This method relies on the correlation between the shear modulus of shock compressed state and amplitude damping and oscillation of an initial sinusoidal disturbance on shock front in concerned substance. Two important steps are required to determine the shear modulus of material. The first is to measure the damping and oscillation feature of disturbance by the flyer impacted method. The second is to find the quantitative relationship between the disturbed amplitude damping and shear modulus by the finite difference method which is applied to obtain the numerical solutions for disturbance amplitude damping behavior of sinusoidal shock front in flyer impacted flow field. When aluminum shocked to 80 GPa is taken as an example, the shape of perturbed shock front and its disturbed amplitude development with propagation distance, are approximately mapped out. The figure shows an oscillatory damping characteristic. At the early stage the perturbation amplitude on the shock front experiences a decaying process until to zero point, then it rises to a maximum but in reverse phase, and then it decays again. Comparing these data with those simulated using the SCG constitutive model, the effective shear modulus for aluminum shocked to 80 GPa is determined to be about 90 GPa, which is higher than the result given by Yu.

The velocity, refractive index, and equation of state of liquid ammonia at high temperatures and high pressures.

PubMed

Li, Fangfei; Li, Min; Cui, Qiliang; Cui, Tian; He, Zhi; Zhou, Qiang; Zou, Guangtian

2009-10-07

The high temperature and high pressure Brillouin scattering studies of liquid ammonia have been performed in a diamond anvil cell. Acoustic velocity, refractive index, adiabatic bulk modulus, and the equation of state of liquid ammonia were determined at temperatures up to 410 K and at pressures up to the solidification point. Velocity and refractive index increase smoothly with increasing pressure along isothermals but decrease slightly with the temperature increase. The bulk modulus increases linearly with pressure and its slope dB/dP decreases slightly with increasing temperature from 6.67 at 297 K to 5.94 at 410 K.

Pressure and temperature dependence of shear modulus and yield strength for aluminum, copper, and tungsten under shock compression

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peng Jianxiang; Jing Fuqian; Li Dahong

2005-07-01

Experimental data for the shear modulus and yield strength of shocked aluminum, copper, and tungsten were systematically analyzed. Comparisons between these data and calculations using the Steinberg-Cochran-Guinan (SCG) constitutive model [D. J. Steinberg, S. G. Cochran, and M. W. Guinan, J. Appl. Phys. 51, 1498 (1980)] indicate that the yield strength has the same dependence on pressure and temperature as the shear modulus for aluminum for shock pressures up to 50 GPa, for copper to 100 GPa, and for tungsten to 200 GPa. Therefore, the assumption of Y{sub p}{sup '}/Y{sub 0}=G{sub p}{sup '}/G{sub 0},Y{sub T}{sup '}/Y{sub 0}=G{sub T}{sup '}/G{sub 0}more » is basically acceptable for these materials, and the SCG model can be used to describe the shear modulus and yield strength of the shocked material at high pressure and temperature.« less

Higher Order Multipole Potentials and Electrostatic Screening Effects on Cohesive Energy and Bulk Modulus of Metallic Nanoparticles

NASA Astrophysics Data System (ADS)

Barakat, T.

2011-12-01

Higher order multipole potentials and electrostatic screening effects are introduced to incorporate the dangling bonds on the surface of a metallic nanopaticle and to modify the coulomb like potential energy terms, respectively. The total interaction energy function for any metallic nanoparticle is represented in terms of two- and three-body potentials. The two-body part is described by dipole-dipole interaction potential, and in the three-body part, triple-dipole (DDD) and dipole-dipole-quadrupole (DDQ) terms are included. The size-dependent cohesive energy and bulk modulus are observed to decrease with decreasing sizes, a result which is in good agreement with the experimental values of Mo and W nanoparticles.

Pressure loss modulus correlation for Delta p across uniformly distributed-loss devices

NASA Technical Reports Server (NTRS)

Nunz, Gregory J.

1994-01-01

A dimensionless group, called a pressure loss modulus (N(sub PL)), is introduced that, in conjunction with an appropriately defined Reynolds number, is of considerable engineering utility in correlating steady-state Delta p vs flow calibration data and subsequently as a predictor, using the same or a different fluid, in uniformly distributed pressure loss devices. It is particularly useful under operation in the transition regime. Applications of this simple bivariate correlation to three diverse devices of particular interest for small liquid rocket engine fluid systems are discussed: large L/D capillary tube restrictors, packed granular catalyst beds, and stacked vortex-loss disk restrictors.

Bulk Viscosity of Bubbly Magmas and the Amplification of Pressure Waves

NASA Astrophysics Data System (ADS)

Navon, O.; Lensky, N. G.; Neuberg, J. W.; Lyakhovsky, V.

2001-12-01

The bulk viscosity of magma is needed in order to describe the dynamics of a compressible bubbly magma flowing in conduits and to follow the attenuation of pressure waves travelling through a compressible magma. We developed a model for the bulk viscosity of a suspension of gas bubbles in an incompressible Newtonian liquid that exsolves volatiles (e.g. magma). The suspension is modeled as a close pack of spherical cells, consisting of gas bubbles centered in spherical shells of a volatile-bearing liquid. Following a drop in the ambient pressure the resulting dilatational motion and driving pressure are obtained in terms of the two-phase cell parameters, i.e. bubble radius and gas pressure. By definition, the bulk viscosity of a fluid is the relation between changes of the driving pressure with respect to changes in the resulted expansion strain-rate. Thus, we can use the two-phase solution to define the bulk viscosity of a hypothetical cell, composed of a homogeneously compressible, one-phase, continuous fluid. The resulted bulk viscosity is highly non-linear. At the beginning of the expansion process, when gas exsolution is efficient, the expansion rate grows exponentially while the driving pressure decreases slightly. That means that bulk viscosity is formally negative. The negative value reflects the release of the energy stored in the supersaturated liquid (melt) and its conversion to mechanical work during exsolution. Later, when bubbles are large enough and the gas influx decreases significantly, the strain rate decelerates and the bulk viscosity becomes positive as expected in a dissipative system. We demonstrate that amplification of seismic wave travelling through a volcanic conduit filled with a volatile saturated magma may be attributed to the negative bulk viscosity of the compressible magma. Amplification of an expansion wave may, at some level in the conduit, damage the conduit walls and initiate opening of new pathways for magma to erupt.

First-principles investigation of thermodynamic, elastic and electronic properties of Al{sub 3}V and Al{sub 3}Nb intermetallics under pressures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Zhe; Zhang, Peng; Chen, Dong

2015-02-28

The thermodynamic, elastic, and electronic properties of D0{sub 22}-type Al{sub 3}V and Al{sub 3}Nb intermetallics were studied using the first-principle method. The results showed the pressure has profound effects on the structural, mechanical and electronic properties in both Al{sub 3}V and Al{sub 3}Nb. Thermodynamically, the formation enthalpies for Al{sub 3}V and Al{sub 3}Nb were derived, which agreed well with available experimental and theoretical values. Comparably, Al{sub 3}Nb was a more stable phase with the more negative H{sub f} than Al{sub 3}V. Mechanically, the calculated elastic constants showed linearly increasing tendencies, and satisfied the Born's criteria from 0–20 GPa, indicating the mechanicallymore » stability of Al{sub 3}V and Al{sub 3}Nb under this pressure range. Further, the mechanical parameters (i.e., bulk modulus (B), shear modulus (G), and Young's modulus (E)) were derived using the Voigt-Reuss-Hill (VRH) method, and in good agreement with available experimental results at the ground state. All these parameters presented the linearly increasing dependences on the external pressure. The B/G ratios and Poisson's ratio indicated that the Al{sub 3}V and Al{sub 3}Nb crystals should exhibit brittle behavior at 0–20 GPa. Additionally, the bulk modulus can be obtained through fitting the Birch-Murnaghan equation (B{sub 0}), computing by VRH method (B{sub H}), and deriving from the elastic theory (B{sub relax}) in both intermetallics. The uniformity of these calculated bulk moduli in each compound exhibited the excellent reliability and self-consistency. In addition, Debye temperature was estimated from the average sound velocity. The Debye temperature showed an increasing dependence on the pressures. Finally, through density of states analysis, Al{sub 3}V and Al{sub 3}Nb were suggested to possess naturally metallic behavior. Under pressures, it was noted that the shapes of peaks and pseudogaps exhibited relative few changes

Equation of state of rhenium and application for ultra high pressure calibration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anzellini, Simone; Dewaele, Agnès; Occelli, Florent

2014-01-28

The isothermal equation of state of rhenium has been measured by powder X-ray diffraction experiments up to 144 GPa at room temperature in a diamond anvil cell. A helium pressure transmitting medium was used to minimize the non-hydrostatic stress on the sample. The fit of pressure-volume data yields a bulk modulus K{sub 0} = 352.6 GPa and a pressure derivative of the bulk modulus K′{sub 0}=4.56. This equation of state differs significantly from a recent determination [Dubrovinsky et al., Nat. Commun. 3, 1163 (2012)], giving here a lower pressure at a given volume. The possibility of using rhenium gasket X-ray diffraction signal, with themore » present equation of state, to evaluate multi-Mbar pressures in the chamber of diamond anvil cells is discussed.« less

First principles investigation of structural, mechanical, dynamical and thermodynamic properties of AgMg under pressure

NASA Astrophysics Data System (ADS)

Cui, Rong Hua; Chao Dong, Zheng; Gui Zhong, Chong

2017-12-01

The effects of pressure on the structural, mechanical, dynamical and thermodynamic properties of AgMg have been investigated using first principles based on density functional theory. The optimized lattice constants agree well with previous experimental and theoretical results. The bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio and Debye temperature under pressures were calculated. The calculated results of Cauchy pressure and B/G ratio indicate that AgMg shows ductile nature. Phonon dispersion curves suggest the dynamical stability of AgMg. The pressure dependent behavior of thermodynamic properties are calculated, the Helmholtz free energy and internal energy increase with increase of pressure, while entropy and heat capacity decrease.

Pressure derivatives of elastic moduli of fused quartz to 10 kb

USGS Publications Warehouse

Peselnick, L.; Meister, R.; Wilson, W.H.

1967-01-01

Measurements of the longitudinal and shear moduli were made on fused quartz to 10 kb at 24??5??C. The anomalous behavior of the bulk modulus K at low pressure, ???K ???P 0, at higher pressures. The pressure derivative of the rigidity modulus ???G ???P remains constant and negative for the pressure range covered. A 15-kb hydrostatic pressure vessel is described for use with ultrasonic pulse instrumentation for precise measurements of elastic moduli and density changes with pressure. The placing of the transducer outside the pressure medium, and the use of C-ring pressure seals result in ease of operation and simplicity of design. ?? 1967.

High Pressure Properties of a Ba-Cu-Zn-P Clathrate-I

DOE PAGES

Dolyniuk, Juli -Anna; Kovnir, Kirill

2016-08-12

Here, the high pressure properties of the novel tetrel-free clathrate, Ba 8Cu 13.1Zn 3.3P 29.6, were investigated using synchrotron powder X-ray diffraction. The pressure was applied using a diamond anvil cell. No structural transitions or decomposition were detected in the studied pressure range of 0.1–7 GPa. The calculated bulk modulus for Ba 8Cu 13.1Zn 3.3P 29.6 using a third-order Birch-Murnaghan equation of state is 65(6) GPa at 300 K. This bulk modulus is comparable to the bulk moduli of Ge- and Sn-based clathrates, like A 8Ga 16Ge 30 (A = Sr, Ba) and Sn 19.3Cu 4.7P 22I 8, but lowermore » than those for the transition metal-containing silicon-based clathrates, Ba 8 T xSi46–x, T = Ni, Cu; 3 ≤ x ≤ 5.« less

Pressure-Dependent Electronic and Transport Properties of Bulk Platinum Oxide by Density Functional Theory

NASA Astrophysics Data System (ADS)

Kansara, Shivam; Gupta, Sanjeev K.; Sonvane, Yogesh; Nekrasov, Kirill A.; Kichigina, Natalia V.

2018-02-01

The structural, electronic, and vibrational properties of bulk platinum oxide (PtO) at compressive pressures in the interval from 0 GPa to 35 GPa are investigated using the density functional theory. The calculated electronic band structure of PtO shows poor metallicity at very low density of states on the Fermi level. However, the hybrid pseudopotential calculation yielded 0.78 eV and 1.30 eV direct band and indirect gap, respectively. Importantly, our results predict that PtO has a direct band gap within the framework of HSE06, and it prefers equally zero magnetic order at different pressures. In the Raman spectra, peaks are slightly shifted towards higher frequency with the decrease in pressure. We have also calculated the thermoelectric properties, namely the electronic thermal conductivity and electrical conductivity, with respect to temperature and thermodynamic properties such as entropy, specific heat at constant volume, enthalpy and Gibbs free energy with respect to pressure. The result shows that PtO is a promising candidate for use as a catalyst, in sensors, as a photo-cathode in water electrolysis, for thermal decomposition of inorganic salt and fuel cells.

Optical fiber pressure sensor based on fiber Bragg grating

NASA Astrophysics Data System (ADS)

Song, Dongcao

In oil field, it is important to measure the high pressure and temperature for down-hole oil exploration and well-logging, the available traditional electronic sensor is challenged due to the harsh, flammable environment. Recently, applications based on fiber Bragg grating (FBG) sensor in the oil industry have become a popular research because of its distinguishing advantages such as electrically passive operation, immunity to electromagnetic interference, high resolution, insensitivity to optical power fluctuation etc. This thesis is divided into two main sections. In the first section, the design of high pressure sensor based on FBG is described. Several sensing elements based on FBG for high pressure measurements have been proposed, for example bulk-modulus or free elastic modulus. But the structure of bulk-modulus and free elastic modulus is relatively complex and not easy to fabricate. In addition, the pressure sensitivity is not high and the repeatability of the structure has not been investigated. In this thesis, a novel host material of carbon fiber laminated composite (CFLC) for high pressure sensing is proposed. The mechanical characteristics including principal moduli in three directions and the shape repeatability are investigated. Because of it's Young's modulus in one direction and anisotropic characteristics, the pressure sensor made by CFLC has excellent sensitivity. This said structure can be used in very high pressure measurement due to carbon fiber composite's excellent shape repetition even under high pressure. The experimental results show high pressure sensitivity of 0.101nm/MPa and high pressure measurement up to 70MPa. A pressure sensor based on CFLC and FBG with temperature compensation has been designed. In the second section, the design of low pressure sensor based on FBG is demonstrated. Due to the trade off between measurement range and sensitivity, a sensor for lower pressure range needs more sensitivity. A novel material of carbon

High-Pressure Study of Perovskites and Postperovskites in the (Mg,Fe)GeO 3 System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stan, Camelia V.; Dutta, Rajkrishna; Cava, Robert J.

2017-06-22

The effect of incorporation of Fe 2+ on the perovskite (Pbnm) and postperovskite (Cmcm) structures was investigated in the (Mg,Fe)GeO 3 system at high pressures and temperatures using laser-heated diamond anvil cell and synchrotron X-ray diffraction. Samples with compositions of Mg# ≥ 48 were shown to transform to the perovskite (~30 GPa and ~1500 K) and postperovskite (>55 GPa, ~1600–1800 K) structures. Compositions with Mg# ≥ 78 formed single-phase perovskite and postperovskite, whereas those with Mg# < 78 showed evidence for partial decomposition. The incorporation of Fe into the perovskite structure causes a decrease in octahedral distortion as well asmore » a modest decrease in bulk modulus (K 0) and a modest increase in zero-pressure volume (V 0). It also leads to a decrease in the perovskite-to-postperovskite phase transition pressure by ~9.5 GPa over compositions from Mg#78 to Mg#100.« less

Path-integral simulation of ice Ih: The effect of pressure

NASA Astrophysics Data System (ADS)

Herrero, Carlos P.; Ramírez, Rafael

2011-12-01

The effect of pressure on structural and thermodynamic properties of ice Ih has been studied by means of path-integral molecular dynamics simulations at temperatures between 50 and 300 K. Interatomic interactions were modeled by using the effective q-TIP4P/F potential for flexible water. Positive (compression) and negative (tension) pressures have been considered, which allowed us to approach the limits for the mechanical stability of this solid water phase. We have studied the pressure dependence of the crystal volume, bulk modulus, interatomic distances, atomic delocalization, and kinetic energy. The spinodal point at both negative and positive pressures is derived from the vanishing of the bulk modulus. For P<0, the spinodal pressure changes from -1.38 to - 0.73 GPa in the range from 50 to 300 K. At positive pressure the spinodal is associated with ice amorphization, and at low temperatures it is found to be between 1.1 and 1.3 GPa. Quantum nuclear effects cause a reduction of the metastability region of ice Ih.

Shear modulus of neutron star crust

NASA Astrophysics Data System (ADS)

Baiko, D. A.

2011-09-01

The shear modulus of solid neutron star crust is calculated by the thermodynamic perturbation theory, taking into account ion motion. At a given density, the crust is modelled as a body-centred cubic Coulomb crystal of fully ionized atomic nuclei of one type with a uniform charge-compensating electron background. Classic and quantum regimes of ion motion are considered. The calculations in the classic temperature range agree well with previous Monte Carlo simulations. At these temperatures, the shear modulus is given by the sum of a positive contribution due to the static lattice and a negative ∝ T contribution due to the ion motion. The quantum calculations are performed for the first time. The main result is that at low temperatures the contribution to the shear modulus due to the ion motion saturates at a constant value, associated with zero-point ion vibrations. Such behaviour is qualitatively similar to the zero-point ion motion contribution to the crystal energy. The quantum effects may be important for lighter elements at higher densities, where the ion plasma temperature is not entirely negligible compared to the typical Coulomb ion interaction energy. The results of numerical calculations are approximated by convenient fitting formulae. They should be used for precise neutron star oscillation modelling, a rapidly developing branch of stellar seismology.

Formation of collapsed tetragonal phase in EuCo₂As₂ under high pressure.

PubMed

Bishop, Matthew; Uhoya, Walter; Tsoi, Georgiy; Vohra, Yogesh K; Sefat, Athena S; Sales, Brian C

2010-10-27

The structural properties of EuCo₂As₂ have been studied up to 35 GPa, through the use of x-ray diffraction in a diamond anvil cell at a synchrotron source. At ambient conditions, EuCo₂As₂ ) (I4/mmm) has a tetragonal lattice structure with a bulk modulus of 48 ± 4 GPa. With the application of pressure, the a axis exhibits negative compressibility with a concurrent sharp decrease in c-axis length. The anomalous compressibility of the a axis continues until 4.7 GPa, at which point the structure undergoes a second-order phase transition to a collapsed tetragonal (CT) state with a bulk modulus of 111 ± 2 GPa. We found a strong correlation between the ambient pressure volume of 122 parents of superconductors and the corresponding tetragonal to collapsed tetragonal phase transition pressures.

High-pressure Irreversible Amorphization of La1/3NbO3

DOE Office of Scientific and Technical Information (OSTI.GOV)

I Halevy; A Hen; A Broide

2011-12-31

The crystallographic structure of La{sub 1/3}NbO{sub 3} perovskite was studied at high pressures using a diamond-anvil cell and synchrotron radiation. High-pressure energy dispersive (EDS) x-ray diffraction and high-pressure angle dispersive (ADS) x-ray diffraction revealed an irreversible amorphization at {approx}10 GPa. A large change in the bulk modulus accompanied the high-pressure amorphization.

Pressure-induced transition in the grain boundary of diamond

NASA Astrophysics Data System (ADS)

Chen, J.; Tang, L.; Ma, C.; Fan, D.; Yang, B.; Chu, Q.; Yang, W.

2017-12-01

Equation of state of diamond powder with different average grain sizes was investigated using in situ synchrotron x-ray diffraction and a diamond anvil cell (DAC). Comparison of compression curves was made for two samples with average grain size of 50nm and 100nm. The two specimens were pre-pressed into pellets and loaded in the sample pressure chamber of the DAC separately to minimized differences of possible systematic errors for the two samples. Neon gas was used as pressure medium and ruby spheres as pressure calibrant. Experiments were conducted at room temperature and high pressures up to 50 GPa. Fitting the compression data in the full pressure range into the third order Birch-Murnaghan equation of state yields bulk modulus (K) and its pressure derivative (K') of 392 GPa and 5.3 for 50nm sample and 398GPa and 4.5 for 100nm sample respectively. Using a simplified core-shell grain model, this result indicates that the grain boundary has an effective bulk modulus of 54 GPa. This value is similar to that observed for carbon nanotube[1] validating the recent theoretical diamond surface modeling[2]. Differential analysis of the compression cures demonstrates clear relative compressibility change at the pressure about 20 GPa. When fit the compression data below and above this pressure separately, the effect of grain size on bulk modulus reverses in the pressure range above 20 GPa. This observation indicates a possible transition of grain boundary structure, likely from sp2 hybridization at the surface[2] towards sp3like orbital structure which behaves alike the inner crystal. [1] Jie Tang, Lu-Chang Qin, Taizo Sasaki, Masako Yudasaka, Akiyuki Matsushita, and Sumio Iijima, Compressibility and Polygonization of Single-Walled Carbon Nanotubes under Hydrostatic Pressure, Physical Review Letters, 85(9), 1187-1198, 2000. [2] Shaohua Lu, Yanchao Wang, Hanyu Liu, Mao-sheng Miao, and Yanming Ma, Self-assembled ultrathin nanotubes on diamond (100) surface, Nature

High pressure stability of lithium metatitanate and metazirconate: Insight from experiments & ab-initio calculations

NASA Astrophysics Data System (ADS)

Chitnis, Abhishek; Chakraborty, B.; Tripathi, B. M.; Tyagi, A. K.; Garg, Nandini

2018-02-01

Lithium metatitanate (LTO) and lithium metazirconate (LZO) are lithium rich ceramics which can be used as tritium breeder materials for thermonuclear reactors. In-situ x-ray diffraction and ab-initio studies at high pressure show that LTO has a higher bulk modulus than that of LZO. In fact these studies indicate that they are the least compressible of the known lithium rich ceramics like Li2O or Li4SiO4, which are potential candidates for blanket materials. These studies show that the TiO6 octahedra are responsible for the higher bulk modulus of LTO when compared to that of LZO. It has also been shown that the compressibility and distortion of the softer LiO6 octahedra can be controlled by altering the stacking sequence of the more rigid covalently bonded octahedra. This knowledge can be used by chemists to design new lithium based ceramics with higher bulk modulus. It was observed that LTO was stable upto 34 GPa. Ab initio DFT calculations helped to understand the anisotropy in compressibility of both LZO and LTO. This study also shows, that even though the empirical potentials developed by Vijaykumar et al. successfully determine the ambient pressure structure of lithium metatitanate, they cannot be used at non ambient conditions like high pressure [1].

Proton behaviour, structure and elasticity of serpentine at high-pressure

NASA Astrophysics Data System (ADS)

Mookherjee, Mainak; Stixrude, Lars

2007-03-01

Serpentine occurs in oceanic crust as the alteration product of ultramafic rocks and is a possible candidate for carrying water to the deep earth. The presence of sub-surface serpentine may be manifested by mud volcanoes, high electrical conductivities, and seismic anomalies. Using density functional theory, we predict a phase transition in serpentine near 22 GPa. The phase transition is caused by a re-orientation of the hydroxyl vector coupled with changes in the di-trigonal rings of SiO4 tetrahedra. The symmetry of the crystal-structure remains unaffected. Evidence of pressure-induced hydrogen bonding is absent in serpentine, as evident from the reduction of O-H bond length upon compression. Results of compression for the low-pressure phase is well represented by a fourth order Birch-Murnaghan finite strain expression with KO= 63 GPa, K'O= 10.2 and KOK''O = -120, where K is the bulk modulus, prime indicates pressure derivatives, and O refers to zero pressure. At low pressures, the elastic constant tensor is highly anisotropic with C11^o ˜2.4xC33^o , and becomes more isotropic with compression. We find an elastic instability near 36 GPa that may be related to experimentally observed amorphization.

First-principles predictions of structural, mechanical and electronic properties of βTiNb under high pressure

NASA Astrophysics Data System (ADS)

Wang, Z. P.; Fang, Q. H.; Li, J.; Liu, B.

2018-04-01

Structural, mechanical and electronic properties of βTiNb alloy under high pressure have been investigated based on the density functional theory (DFT). The dependences of dimensionless volume ratio, elastic constants, bulk modulus, Young's modulus, shear modulus, ductile/brittle, anisotropy and Poisson's ratio on applied pressure are all calculated successfully. The results reveal that βTiNb alloy is mechanically stable under pressure below 23.45 GPa, and the pressure-induced phase transformation could occur beyond this critical value. Meanwhile, the applied pressure can effectively promote the mechanical properties of βTiNb alloy, including the resistances to volume change, elastic deformation and shear deformation, as well as the material ductility and metallicity. Furthermore, the calculated electronic structures testify that βTiNb alloy performs the metallicity and the higher pressure reduces the structural stability of unit cell.

First-principles investigations on structural, elastic, electronic properties and Debye temperature of orthorhombic Ni3Ta under pressure

NASA Astrophysics Data System (ADS)

Li, Pan; Zhang, Jianxin; Ma, Shiyu; Jin, Huixin; Zhang, Youjian; Zhang, Wenyang

2018-06-01

The structural, elastic, electronic properties and Debye temperature of Ni3Ta under different pressures are investigated using the first-principles method based on density functional theory. Our calculated equilibrium lattice parameters at 0 GPa well agree with the experimental and previous theoretical results. The calculated negative formation enthalpies and elastic constants both indicate that Ni3Ta is stable under different pressures. The bulk modulus B, shear modulus G, Young's modulus E and Poisson's ratio ν are calculated by the Voigt-Reuss-Hill method. The bigger ratio of B/G indicates Ni3Ta is ductile and the pressure can improve the ductility of Ni3Ta. In addition, the results of density of states and the charge density difference show that the stability of Ni3Ta is improved by the increasing pressure. The Debye temperature ΘD calculated from elastic modulus increases along with the pressure.

Glassy selenium at high pressure: Le Chatelier's principle still works

NASA Astrophysics Data System (ADS)

Brazhkin, V. V.; Tsiok, O. B.

2017-10-01

Selenium is the only easily vitrified elementary substance. Numerous experimental studies of glassy Se (g -Se) at high pressures show a large spread in the data on the compressibility and electrical resistivity of g -Se. Furthermore, H. Liu et al. [Proc. Natl. Acad. Sci. USA 105, 13229 (2008), 10.1073/pnas.0806857105] have arrived at the surprising conclusion that the volume of glass increases during pressure-induced crystallization. We have performed high-precision measurements of the specific volume and electrical resistivity of glassy selenium (g -Se) at high hydrostatic pressures up to 9 GPa. The measured bulk modulus at normal pressure is B =(9.0 5 ±0.15 ) GPa and its pressure derivative is BP'=6.4 ±0.2 . In the pressure range P <3 GPa, glassy selenium has an anomalously large negative second derivative of the bulk modulus. The electrical resistivity of g -Se decreases almost exponentially with increasing pressure and reaches 20 Ω cm at a pressure of 8.75 GPa. The inelastic behavior and weak relaxation of the volume for g -Se begin at pressures above 3.5 GPa; the volume and logarithm of the electrical resistivity relax significantly (logarithmically with the time) at pressures above 8 GPa. Bulk measurements certainly indicate that the volume of g -Se glass in the crystallization pressure range is larger than the volumes of both appearing crystalline phases (by 2% and 4%). Therefore, the "volume expansion phenomenon" suggested in [H. Liu et al., Proc. Natl. Acad. Sci. USA 105, 13229 (2008), 10.1073/pnas.0806857105] is not observed, and the pressure-induced crystallization of glassy selenium is consistent with the laws of thermodynamics.

High-precision measurements of the compressibility of chalcogenide glasses at a hydrostatic pressure up to 9 GPa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brazhkin, V. V., E-mail: brazhkin@hppi.troitsk.ru; Bychkov, E.; Tsiok, O. B.

2016-08-15

The volumes of glassy germanium chalcogenides GeSe{sub 2}, GeS{sub 2}, Ge{sub 17}Se{sub 83}, and Ge{sub 8}Se{sub 92} are precisely measured at a hydrostatic pressure up to 8.5 GPa. The stoichiometric GeSe{sub 2} and GeS{sub 2} glasses exhibit elastic behavior in the pressure range up to 3 GPa, and their bulk modulus decreases at pressures higher than 2–2.5 GPa. At higher pressures, inelastic relaxation processes begin and their intensity is proportional to the logarithm of time. The relaxation rate for the GeSe{sub 2} glasses has a pronounced maximum at 3.5–4.5 GPa, which indicates the existence of several parallel structural transformation mechanisms.more » The nonstoichiometric glasses exhibit a diffuse transformation and inelastic behavior at pressures above 1–2 GPa. The maximum relaxation rate in these glasses is significantly lower than that in the stoichiometric GeSe{sub 2} glasses. All glasses are characterized by the “loss of memory” of history: after relaxation at a fixed pressure, the further increase in the pressure returns the volume to the compression curve obtained without a stop for relaxation. After pressure release, the residual densification in the stoichiometric glasses is about 7% and that in the Ge{sub 17}Se{sub 83} glasses is 1.5%. The volume of the Ge{sub 8}Se{sub 92} glass returns to its initial value within the limits of experimental error. As the pressure decreases, the effective bulk moduli of the Ge{sub 17}Se{sub 83} and Ge{sub 8}Se{sub 92} glasses coincide with the moduli after isobaric relaxation at the stage of increasing pressure, and the bulk modulus of the stoichiometric GeSe{sub 2} glass upon decreasing pressure noticeably exceeds the bulk modulus after isobaric relaxation at the stage of increasing pressure. Along with the reported data, our results can be used to draw conclusions regarding the diffuse transformations in glassy germanium chalcogenides during compression.« less

Lateral Earth Pressure at Rest and Shear Modulus Measurements on Hanford Sludge Simulants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wells, Beric E.; Jenks, Jeromy WJ; Boeringa, Gregory K.

2010-09-30

This report describes the equipment, techniques, and results of lateral earth pressure at rest and shear modulus measurements on kaolin clay as well as two chemical sludge simulants. The testing was performed in support of the problem of hydrogen gas retention and release encountered in the double- shell tanks (DSTs) at the Hanford Site near Richland, Washington. Wastes from single-shell tanks (SSTs) are being transferred to double-shell tanks (DSTs) for safety reasons (some SSTs are leaking or are in danger of leaking), but the available DST space is limited.

Calculating tissue shear modulus and pressure by 2D log-elastographic methods

NASA Astrophysics Data System (ADS)

McLaughlin, Joyce R.; Zhang, Ning; Manduca, Armando

2010-08-01

Shear modulus imaging, often called elastography, enables detection and characterization of tissue abnormalities. In this paper the data are two displacement components obtained from successive MR or ultrasound data sets acquired while the tissue is excited mechanically. A 2D plane strain elastic model is assumed to govern the 2D displacement, u. The shear modulus, μ, is unknown and whether or not the first Lamé parameter, λ, is known the pressure p = λ∇ sdot u which is present in the plane strain model cannot be measured and is unreliably computed from measured data and can be shown to be an order one quantity in the units kPa. So here we present a 2D log-elastographic inverse algorithm that (1) simultaneously reconstructs the shear modulus, μ, and p, which together satisfy a first-order partial differential equation system, with the goal of imaging μ (2) controls potential exponential growth in the numerical error and (3) reliably reconstructs the quantity p in the inverse algorithm as compared to the same quantity computed with a forward algorithm. This work generalizes the log-elastographic algorithm in Lin et al (2009 Inverse Problems 25) which uses one displacement component, is derived assuming that the component satisfies the wave equation and is tested on synthetic data computed with the wave equation model. The 2D log-elastographic algorithm is tested on 2D synthetic data and 2D in vivo data from Mayo Clinic. We also exhibit examples to show that the 2D log-elastographic algorithm improves the quality of the recovered images as compared to the log-elastographic and direct inversion algorithms.

Correlation between macro- and nano-scopic measurements of carbon nanostructured paper elastic modulus

DOE Office of Scientific and Technical Information (OSTI.GOV)

Omar, Yamila M.; Al Ghaferi, Amal, E-mail: aalghaferi@masdar.ac.ae, E-mail: mchiesa@masdar.ac.ae; Chiesa, Matteo, E-mail: aalghaferi@masdar.ac.ae, E-mail: mchiesa@masdar.ac.ae

2015-07-20

Extensive work has been done in order to determine the bulk elastic modulus of isotropic samples from force curves acquired with atomic force microscopy. However, new challenges are encountered given the development of new materials constructed of one-dimensional anisotropic building blocks, such as carbon nanostructured paper. In the present work, we establish a reliable framework to correlate the elastic modulus values obtained by amplitude modulation atomic force microscope force curves, a nanoscopic technique, with that determined by traditional macroscopic tensile testing. In order to do so, several techniques involving image processing, statistical analysis, and simulations are used to find themore » appropriate path to understand how macroscopic properties arise from anisotropic nanoscale components, and ultimately, being able to calculate the value of bulk elastic modulus.« less

Anorthite: Thermal equation of state to high pressures. [for comparison with Earth interior and cratering properties of lunar surface

NASA Technical Reports Server (NTRS)

Jeanloz, R.; Ahrens, T. J.

1979-01-01

The shock wave (Hugoniot) data on single crystal and porous anorthite (CaAl2Si208) to pressures of 120 GPa are presented. These data are inverted to yield high pressure values of the Grueneisen parameter, adiabatic bulk modulus, and coefficient of thermal expansion over a broad range of pressures and temperatures which in turn are used to reduce the raw Hugoniot data and construct an experimentally based, high pressure thermal equation of state for anorthite. The hypothesis that higher order anharmonic contributions to the thermal properties decrease more rapidly upon compression than the lowest order anharmonicities is supported. The properties of anorthite corrected to lower mantle conditions show that although the density of anorthite is comparable to that of the lower most mantle, its bulk modulus is considerably less, hence making enrichment in the mantle implausible except perhaps near its base.

Effects of temperature and pressure on thermodynamic properties of Cd0.50 Zn0.50 Se alloy

NASA Astrophysics Data System (ADS)

Aarifeen, Najm ul; Afaq, A.

2017-09-01

Thermodynamic properties of \\text{C}{{\\text{d}}0.50} \\text{Z}{{\\text{n}}0.50} Se alloy are studied using quasi harmonic model for pressure range 0-10 GPa and temperature range 0-1000 K. The structural optimization is obtained by self consistent field calculations and full-potential linear muffin-tin orbital method with GGA+U as an exchange correlation functional where U=2.3427 eV is the hubbard potential. The effects of temperature and pressure on the bulk modulus, Helmholtz free energy, internal energy, entropy, Debye temperature, Grüneisen parameter, thermal expansion coefficient and heat capacities of the material are observed and discussed. The bulk modulus, Helmholtz free energy and Debye temperature are found to decrease with increasing temperature while there is an increasing behavior when the pressure rises. Whereas internal energy has increasing trend with rises in temperature and it almost remains insensitive to pressure. The entropy of the system increases (decreases) with a rise of pressure (temperature).

Equation of state, phase stability, and phase transformations of uranium-6 wt. % niobium under high pressure and temperature

NASA Astrophysics Data System (ADS)

Zhang, Jianzhong; Vogel, Sven; Brown, Donald; Clausen, Bjorn; Hackenberg, Robert

2018-05-01

In-situ time-of-flight neutron diffraction experiments were conducted on the uranium-niobium alloy with 6 wt. % Nb (U-6Nb) at pressures up to 4.7 GPa and temperatures up to 1073 K. Upon static compression at room temperature, the monoclinic structure of U-6Nb (α″ U-6Nb) remains stable up to the highest experimental pressure. Based on the pressure-volume measurements at room temperature, the least-squares fit using the finite-strain equation of state (EOS) yields an isothermal bulk modulus of B0 = 127 ± 2 GPa for the α″-phase of U-6Nb. The calculated zero-pressure bulk sound speed from this EOS is 2.706 ± 0.022 km/s, which is in good agreement with the linear extrapolation of the previous Hugoniot data above 12 GPa for α″ U-6Nb, indicating that the dynamic response under those shock-loading conditions is consistent with the stabilization of the initial monoclinic phase of U-6Nb. Upon heating at ambient and high pressures, the metastable α″ U-6Nb exhibits complex transformation paths leading to the diffusional phase decomposition, which are sensitive to applied pressure, stress state, and temperature-time path. These findings provide new insight into the behavior of atypical systems such as U-Nb and suggest that the different U-Nb phases are separated by rather small energies and hence highly sensitive to compositional, thermal, and mechanical perturbations.

Pressure-induced transformations of multiferroic relaxor PbFe0.5Nb0.5O3

NASA Astrophysics Data System (ADS)

Basu, Abhisek; Ahart, Muhtar; Holtgrewe, Nicholas; Lin, Chuanlong; Hemley, Russell J.

2018-02-01

The effects of hydrostatic pressure at ambient temperature on the structural and dielectric properties of PbFe0.5Nb0.5O3 (PFN) were investigated using second harmonic generation (SHG) and powder x-ray diffraction measurements to 31 GPa. The results demonstrate that PFN undergoes a pressure-induced structural transition from the R3m ferroelectric to the R 3 ¯ m paraelectric phase. SHG measurements showed a continuous decrease in the signal with pressure and complete disappearance at 7.1 GPa. Effective nonlinear optical coefficients were determined from the SHG data, and their pressure behavior was used to infer the nature of the transition. The loss of the SHG signal is accompanied by drastic changes in line widths of Bragg reflections, but no discontinuous change in volume was observed. The pressure-volume data were fit to various equations of state, and a bulk modulus K0 = 136 (±2) GPa, bulk modulus pressure derivative K0' = 4.0 (±0.2), and initial volume V0 = 64.5 (±0.1) Å3 were obtained.

The acoustic velocity, refractive index, and equation of state of liquid ammonia dihydrate under high pressure and high temperature.

PubMed

Ma, Chunli; Wu, Xiaoxin; Huang, Fengxian; Zhou, Qiang; Li, Fangfei; Cui, Qiliang

2012-09-14

High-pressure and high-temperature Brillouin scattering studies have been performed on liquid of composition corresponding to the ammonia dihydrate stoichiometry (NH(3)·2H(2)O) in a diamond anvil cell. Using the measured Brillouin frequency shifts from 180° back- and 60° platelet-scattering geometries, the acoustic velocity, refractive index, density, and adiabatic bulk modulus have been determined under pressure up to freezing point along the 296, 338, 376, and 407 K isotherms. Along these four isotherms, the acoustic velocities increase smoothly with increasing pressure but decrease with the increased temperature. However, the pressure dependence of the refractive indexes on the four isotherms exhibits a change in slope around 1.5 GPa. The bulk modulus increases linearly with pressure and its slope, dB/dP, decreases from 6.83 at 296 K to 4.41 at 407 K. These new datasets improve our understanding of the pressure- and temperature-induced molecular structure changes in the ammonia-water binary system.

High Pressure Elastic Behavior of Synthetic Mg 3 Y 2 (SiO 4 ) 3 Garnet up to 9 GPa

DOE PAGES

Fan, Dawei; Ma, Maining; Wei, Shuyi; ...

2013-01-01

Tmore » he compression behavior of synthetic magnesium- (Mg-) yttrium (Y) garnet Mg 3 Y 2 (SiO 4 ) 3 has been investigated upto about 8.79 GPa at 300 K using in situ angle-dispersive X-ray diffraction and a diamond anvil cell at the beamline X17C, National Synchrotron Light Source, Brookhaven National Laboratory. No phase transition has been observed within the pressure range investigated. he unit-cell parameters and volume decreased systematically with increasing pressure, and a reliable isothermal bulk modulus ( K 0 ) and its pressure derivative ( K 0 ′ ) were obtained in this study. he values of zero-pressure volume V 0 , K 0 , and K 0 ′ refined with a third-order Birch-Murnaghan equation of state are V 0 = 1727.9 ± 0.2  Å 3 , K 0 = 145 ± 3  GPa, and K 0 ′ = 8.5 ± 0.9 . If K 0 ′ is fixed at 4, K 0 is obtained as 158 ± 2  GPa.« less

High Pressure Elastic Behavior of Synthetic Mg 3 Y 2 (SiO 4 ) 3 Garnet up to 9 GPa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fan, Dawei; Ma, Maining; Wei, Shuyi

Tmore » he compression behavior of synthetic magnesium- (Mg-) yttrium (Y) garnet Mg 3 Y 2 (SiO 4 ) 3 has been investigated upto about 8.79 GPa at 300 K using in situ angle-dispersive X-ray diffraction and a diamond anvil cell at the beamline X17C, National Synchrotron Light Source, Brookhaven National Laboratory. No phase transition has been observed within the pressure range investigated. he unit-cell parameters and volume decreased systematically with increasing pressure, and a reliable isothermal bulk modulus ( K 0 ) and its pressure derivative ( K 0 ′ ) were obtained in this study. he values of zero-pressure volume V 0 , K 0 , and K 0 ′ refined with a third-order Birch-Murnaghan equation of state are V 0 = 1727.9 ± 0.2  Å 3 , K 0 = 145 ± 3  GPa, and K 0 ′ = 8.5 ± 0.9 . If K 0 ′ is fixed at 4, K 0 is obtained as 158 ± 2  GPa.« less

Role of zero-point effects in stabilizing the ground state structure of bulk Fe2P

NASA Astrophysics Data System (ADS)

Bhat, Soumya S.; Gupta, Kapil; Bhattacharjee, Satadeep; Lee, Seung-Cheol

2018-05-01

Structural stability of Fe2P is investigated in detail using first-principles calculations based on density functional theory. While the orthorhombic C23 phase is found to be energetically more stable, the experiments suggest it to be hexagonal C22 phase. In the present study, we show that in order to obtain the correct ground state structure of Fe2P from the first-principles based methods it is utmost necessary to consider the zero-point effects such as zero-point vibrations and spin fluctuations. This study demonstrates an exceptional case where a bulk material is stabilized by quantum effects, which are usually important in low-dimensional materials. Our results also indicate the possibility of magnetic field induced structural quantum phase transition in Fe2P, which should form the basis for further theoretical and experimental efforts.

Temperature effects on the universal equation of state of solids

NASA Technical Reports Server (NTRS)

Vinet, P.; Ferrante, J.; Smith, J. R.; Rose, J. H.

1986-01-01

Recently it has been argued based on theoretical calculations and experimental data that there is a universal form for the equation of state of solids. This observation was restricted to the range of temperatures and pressures such that there are no phase transitions. The use of this universal relation to estimate pressure-volume relations (i.e., isotherms) required three input parameters at each fixed temperature. It is shown that for many solids the input data needed to predict high temperature thermodynamical properties can be dramatically reduced. In particular, only four numbers are needed: (1) the zero pressure (P=0) isothermal bulk modulus; (2)it P=0 pressure derivative; (3) the P=0 volume; and (4) the P=0 thermal expansion; all evaluated at a single (reference) temperature. Explicit predictions are made for the high temperature isotherms, the thermal expansion as a function of temperature, and the temperature variation of the isothermal bulk modulus and its pressure derivative. These predictions are tested using experimental data for three representative solids: gold, sodium chloride, and xenon. Good agreement between theory and experiment is found.

Temperature effects on the universal equation of state of solids

NASA Technical Reports Server (NTRS)

Vinet, Pascal; Ferrante, John; Smith, John R.; Rose, James H.

1987-01-01

Recently it has been argued based on theoretical calculations and experimental data that there is a universal form for the equation of state of solids. This observation was restricted to the range of temperatures and pressures such that there are no phase transitions. The use of this universal relation to estimate pressure-volume relations (i.e., isotherms) required three input parameters at each fixed temperature. It is shown that for many solids the input data needed to predict high temperature thermodynamical properties can be dramatically reduced. In particular, only four numbers are needed: (1) the zero pressure (P = 0) isothermal bulk modulus; (2) its P = 0 pressure derivative; (3) the P = 0 volume; and (4) the P = 0 thermal expansion; all evaluated at a single (reference) temperature. Explicit predictions are made for the high temperature isotherms, the thermal expansion as a function of temperature, and the temperature variation of the isothermal bulk modulus and its pressure derivative. These predictions are tested using experimental data for three representative solids: gold, sodium chloride, and xenon. Good agreement between theory and experiment is found.

Measurement of Young's modulus and residual stress of thin SiC layers for MEMS high temperature applications

NASA Astrophysics Data System (ADS)

Pabst, Oliver; Schiffer, Michael; Obermeier, Ernst; Tekin, Tolga; Lang, Klaus Dieter; Ngo, Ha-Duong

2011-06-01

Silicon carbide (SiC) is a promising material for applications in harsh environments. Standard silicon (Si) microelectromechanical systems (MEMS) are limited in operating temperature to temperatures below 130 °C for electronic devices and below 600 °C for mechanical devices. Due to its large bandgap SiC enables MEMS with significantly higher operating temperatures. Furthermore, SiC exhibits high chemical stability and thermal conductivity. Young's modulus and residual stress are important mechanical properties for the design of sophisticated SiC-based MEMS devices. In particular, residual stresses are strongly dependent on the deposition conditions. Literature values for Young's modulus range from 100 to 400 GPa, and residual stresses range from 98 to 486 MPa. In this paper we present our work on investigating Young's modulus and residual stress of SiC films deposited on single crystal bulk silicon using bulge testing. This method is based on measurement of pressure-dependent membrane deflection. Polycrystalline as well as single crystal cubic silicon carbide samples are studied. For the samples tested, average Young's modulus and residual stress measured are 417 GPa and 89 MPa for polycrystalline samples. For single crystal samples, the according values are 388 GPa and 217 MPa. These results compare well with literature values.

Pressure-dependent structure of the null-scattering alloy Ti 0.676 Zr 0.324

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zeidler, Anita; Guthrie, Malcolm; Salmon, Philip S.

2015-05-13

The room temperature structure of the alloy Ti0.676Zr0.324Ti0.676Zr0.324 was measured by X-ray diffraction under compression at pressures up to ~30GPa. This alloy is used as a construction material in high pressure neutron-scattering research and has a mean coherent neutron scattering length of zero, that is, it is a so-called null-scattering alloy. A broad phase transition was observed from a hexagonal close-packed α-phase to a hexagonal ω-phase, which started at a pressure of ≲12GPa≲12GPa and was completed by ~25GPa. The data for the α-phase were fitted by using a third-order Birch–Murnaghan equation of state, giving an isothermal bulk modulus B0=87(4)GPaB0=87(4)GPa andmore » pressure derivative B'0=6.6(8)B0'=6.6(8). The results will help to ensure that accurate structural information can be gained from in situ high pressure neutron diffraction work on amorphous and liquid materials where the Ti0.676Zr0.324Ti0.676Zr0.324 alloy is used as a gasket material.« less

Dynamic analysis of bulk-fill composites: Effect of food-simulating liquids.

PubMed

Eweis, Ahmed Hesham; Yap, Adrian U-Jin; Yahya, Noor Azlin

2017-10-01

This study investigated the effect of food simulating liquids on visco-elastic properties of bulk-fill restoratives using dynamic mechanical analysis. One conventional composite (Filtek Z350 [FZ]), two bulk-fill composites (Filtek Bulk-fill [FB] and Tetric N Ceram [TN]) and a bulk-fill giomer (Beautifil-Bulk Restorative [BB]) were evaluated. Specimens (12 × 2 × 2mm) were fabricated using customized stainless steel molds. The specimens were light-cured, removed from their molds, finished, measured and randomly divided into six groups. The groups (n = 10) were conditioned in the following mediums for 7 days at 37°C: air (control), artificial saliva (SAGF), distilled water, 0.02N citric acid, heptane, 50% ethanol-water solution. Specimens were assessed using dynamic mechanical testing in flexural three-point bending mode and their respective mediums at 37°C and a frequency range of 0.1-10Hz. The distance between the supports were fixed at 10mm and an axial load of 5N was employed. Data for elastic modulus, viscous modulus and loss tangent were subjected to ANOVA/Tukey's tests at significance level p < 0.05. Significant differences in visco-elastic properties were observed between materials and mediums. Apart from bulk-fill giomer, elastic modulus was the highest after conditioning in heptane. No apparent trends were noted for viscous modulus. Generally, loss tangent was the highest after conditioning in ethanol. The effect of food-simulating liquids on the visco-elastic properties of bulk-fill composites was material and medium dependent. Copyright © 2017 Elsevier Ltd. All rights reserved.

Shape, size and temperature dependency of thermal expansion, lattice parameter and bulk modulus in nanomaterials

NASA Astrophysics Data System (ADS)

Goyal, M.; Gupta, B. R. K.

2018-06-01

A theoretical model is described here for studying the effect of temperature on nanomaterials. The thermodynamic equation of state (EoS) proposed by Goyal and Gupta in High Temp.-High Press. 45, 163 (2016); Oriental J. Chem. 32( 4), 2193 (2016), is extended in the present study using Qi and Wang model [ Mater. Chem. Phys. 88, 280 (2004)]. The thermal expansion coefficient is expressed in terms of shape and size and used to obtain the isobaric EoS of nanomaterials for the change in volume V/{V_0}. The variation in V/{V_0} with temperature is estimated for spherical nanoparticles, nanowires and nanofilms. It is found that the volume thermal expansivity decreases as size of the nanomaterial increases, whereas V/{V_0} increases with temperature across nanomaterials of different sizes. The lattice parameter variation with temperature is studied in Zn nanowires, Se and Ag nanoparticles. It is found that lattice constant increases with increase in temperature. Also, bulk modulus is found to increase with temperature in nanomaterials. The results obtained from the present model are compared with the available experimental data. A good consistency between the compared results confirms the suitability of the present model for studying thermal properties of the nanomaterials.

Mechanical properties of nano and bulk Fe pillars using molecular dynamics and dislocation dynamics simulation

NASA Astrophysics Data System (ADS)

Nath, S. K. Deb

2017-10-01

Using molecular dynamics simulation, tension and bending tests of a Fe nanopillar are carried out to obtain its Young's modulus and yield strength. Then the comparative study of Young's modulus and yield strength of a Fe nanopillar under bending and tension are carried out varying its diameter in the range of diameter 1-15nm. We find out the reasons why bending Young's modulus and yield strength of a Fe nanopillar are higher than those of tension Young's modulus and yield strength of a Fe nanopillar. Using the mobility parameters of bulk Fe from the experimental study [N. Urabe and J. Weertman, Materials Science and Engineering 18, 41 (1975)], its temperature dependent stress-strain relationship, yield strength and strain hardening modulus are obtained from the dislocation dynamics simulations. Strain rate dependent yield strength and strain hardening modulus of bulk Fe pillars under tension are studied. Temperature dependent creep behaviors of bulk Fe pillars under tension are also studied. To verify the soundness of the present dislocation dynamics studies of the mechanical properties of bulk Fe pillars under tension, the stress vs. strain relationship and dislocation density vs. strain of bulk Fe pillars obtained by us are compared with the published results obtained by S. Queyreau, G. Monnet, and B. Devincre, International Journal of Plasticity 25, 361 (2009).

Zero-G Thermodynamic Venting System (TVS) Performance Prediction Program

NASA Technical Reports Server (NTRS)

Nguyen, Han

1994-01-01

This report documents the Zero-g Thermodynamic Venting System (TVS) performance prediction computer program. The zero-g TVS is a device that destratifies and rejects environmentally induced zero-g thermal gradients in the LH2 storage transfer system. A recirculation pump and spray injection manifold recirculates liquid throughout the length of the tank thereby destratifying both the ullage gas and liquid bulk. Heat rejection is accomplished by the opening of the TVS control valve which allows a small flow rate to expand to a low pressure thereby producing a low temperature heat sink which is used to absorb heat from the recirculating liquid flow. The program was written in FORTRAN 77 language on the HP-9000 and IBM PC computers. It can be run on various platforms with a FORTRAN compiler.

Hydrostatic compression of Fe(1-x)O wuestite

NASA Technical Reports Server (NTRS)

Jeanloz, R.; Sato-Sorensen, Y.

1986-01-01

Hydrostatic compression measurements on Fe(0.95)O wuestite up to 12 GPa yield a room temperature value for the isothermal bulk modulus of K(ot) = 157 (+ or - 10) GPa at zero pressure. This result is in accord with previous hydrostatic and nonhydrostatic measurements of K(ot) for wuestites of composition: 0.89 = Fe/O 0.95. Dynamic measurements of the bulk modulus by ultrasonic, shock-wave and neutron-scattering experiments tend to yield a larger value: K(ot) approximately 180 GPa. The discrepancy between static and dynamic values cannot be explained by the variation of K(ot) with composition, as has been proposed. This conclusion is based on high-precision compression data and on theoretical models of the effects of defects on elastic constants. Barring serious errors in the published measurements, the available data suggest that wuestite exhibits a volume relaxation under pressure.

Low Young's modulus Ti-based porous bulk glassy alloy without cytotoxic elements.

PubMed

Nicoara, M; Raduta, A; Parthiban, R; Locovei, C; Eckert, J; Stoica, M

2016-05-01

A new a biocompatible Ti42Zr40Ta3Si15 (atomic %) porous bulk glassy alloy was produced by combination of rapid solidification and powder metallurgy techniques. Amorphous alloy ribbons were fabricated by melt spinning, i.e. extremely fast quenching the molten alloy with 10(6)K/s from T=1973K down to room temperature. The ribbons were then cryo-milled at liquid nitrogen temperature in order to produce powder, which was subsequently hot pressed. The resulting thick pellets have a porosity of about 14vol%, a high compression strength of 337MPa and a Young's modulus of about E=52GPa, values very close to those characteristic of cortical bone. Moreover, the morphology of the samples is very similar to that of cortical bone. The biocompatibility, which is due to the absence of any toxic element in the chemical composition, together with the suitable mechanical behavior, make these samples promising for orthopedic and dentistry applications. Ti-based alloys are nowadays the standard solution for biomedical implants. However, both the conventional crystalline and amorphous alloys have higher rigidity as the human bone, leading to the damage of the bone at the interface, and contains harmful elements like vanadium, aluminum, nickel or beryllium. The hierarchical porous structures based on glassy alloys with biocompatible elements is a much better alternative. This work presents for the first time the manufacturing of such porous bodies starting from Ti-based amorphous alloy ribbons, which contains only non-harmful elements. The morphology and the compressive mechanical properties of these new products are analyzed in regard with those characteristic to the cortical bone. Copyright © 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Elastic Anomaly and Polyamorphic Transition in (La, Ce)-based Bulk Metallic Glass under Pressure

DOE PAGES

Qi, Xintong; Zou, Yongtao; Wang, Xuebing; ...

2017-04-07

In this paper, we discovered that in association with the polyamorphism of La 32Ce 32Al 16Ni 5Cu 15 bulk metallic glass, the acoustic velocities, measured up to 12.3 GPa using ultrasonic interferometry, exhibit velocity minima at 1.8 GPa for P wave and 3.2 GPa for S wave. The low and high density amorphous states are distinguished by their distinct pressure derivatives of the bulk and shear moduli. The elasticity, permanent densification, and polyamorphic transition are interpreted by the topological rearrangement of solute-centered clusters in medium-range order (MRO) mediated by the 4f electron delocalization of Ce under pressure. The precisely measuredmore » acoustic wave travel times which were used to derive the velocities and densities provided unprecedented data to document the evolution of the bulk and shear elastic moduli associated with a polyamorphic transition in La 32Ce 32Al 16Ni 5Cu 15 bulk metallic glass and can shed new light on the mechanisms of polyamorphism and structural evolution in metallic glasses under pressure.« less

Structural and electronic properties of high pressure phases of lead chalcogenides

NASA Astrophysics Data System (ADS)

Petersen, John; Scolfaro, Luisa; Myers, Thomas

2012-10-01

Lead chalcogenides, most notably PbTe and PbSe, have become an active area of research due to their thermoelectric properties. The high figure of merit (ZT) of these materials has brought much attention to them, due to their ability to convert waste heat into electricity. Variation in synthesis conditions gives rise to a need for analysis of structural and thermoelectric properties of these materials at different pressures. In addition to the NaCl structure at ambient conditions, lead chalcogenides have a dynamic orthorhombic (Pnma) intermediate phase and a higher pressure yet stable CsCl phase. By altering the lattice constant, we simulate the application of external pressure; this has notable effects on ground state total energy, band gap, and structural phase. Using the General Gradient Approximation (GGA) in Density Functional Theory (DFT), we calculate the phase transition pressures by finding the differences in enthalpy from total energy calculations. For each phase, elastic constants, bulk modulus, shear modulus, Young's modulus, and hardness are calculated, using two different approaches. In addition to structural properties, we analyze the band structure and density of states at varying pressures, paying special note to thermoelectric implications.

Structure and elasticity of serpentine at high-pressure

NASA Astrophysics Data System (ADS)

Mookherjee, Mainak; Stixrude, Lars

2009-03-01

Serpentines occur in the subduction zone settings, both along the slab and within the mantle wedge, they are candidates for transporting water in to the deep earth. Their presence is manifested by serpentine mud volcanoes, high electrical conductivities, magnetic and seismic anomalies. Using theoretical methods, we predict a pressure induced structural transformations in serpentine. The transformations are related to the behavior of the silicate framework and misfit between octahedral and tetrahedral layers. As the structure is compressed, the octahedral layer and tetrahedral layers are compressed at different rates. At 7 GPa, the misfit between the layers vanishes. This causes non-linear pressure dependence of tetrahedral rotational angle. This is also manifested by the onset of anomalous pressure dependence of the elastic constants c11, c33, c12, c13. Beyond 7 GPa, the misfit between the layers grows again reaching extremum at 22 GPa. This is also manifested by discontinuity in average Si-O bond length, volume of tetrahedron and re-orientation of hydroxyl vector. The symmetry of the crystal-structure however, remains unaffected. Evidence of pressure-induced hydrogen bonding is absent in serpentine, as evident from reduction of O-H bond length upon compression. Results of compression for the low-pressure regime ( P < 7 GPa) is well represented by a fourth order Birch-Murnaghan finite strain expression with K0 = 79 GPa, K0' = 12 and K0″ = - 2, where K is the bulk modulus, prime indicates pressure derivatives, and O refers to zero pressure. Our best estimates of K0, K0' and the Grüneisen parameter, γ at 300 K and zero pressure based on our results are: 61 GPa, 17, and 0.77, respectively. At low pressures, serpentine structure is anisotropic with c11 ~ 2.4 × c33. The pressure derivative of elastic constants ( ∂cij/ ∂P) are such, that around 22 GPa c11~ c33. An elastic instability ( c66 < 0) at somewhat higher pressures (> 50 GPa) is also noted. The elastic

A Method for Estimating Zero-Flow Pressure and Intracranial Pressure

PubMed Central

Caren, Marzban; Paul, Raymond Illian; David, Morison; Anne, Moore; Michel, Kliot; Marek, Czosnyka; Pierre, Mourad

2012-01-01

Background It has been hypothesized that critical closing pressure of cerebral circulation, or zero-flow pressure (ZFP), can estimate intracranial pressure (ICP). One ZFP estimation method employs extrapolation of arterial blood pressure versus blood-flow velocity. The aim of this study is to improve ICP predictions. Methods Two revisions are considered: 1) The linear model employed for extrapolation is extended to a nonlinear equation, and 2) the parameters of the model are estimated by an alternative criterion (not least-squares). The method is applied to data on transcranial Doppler measurements of blood-flow velocity, arterial blood pressure, and ICP, from 104 patients suffering from closed traumatic brain injury, sampled across the United States and England. Results The revisions lead to qualitative (e.g., precluding negative ICP) and quantitative improvements in ICP prediction. In going from the original to the revised method, the ±2 standard deviation of error is reduced from 33 to 24 mm Hg; the root-mean-squared error (RMSE) is reduced from 11 to 8.2 mm Hg. The distribution of RMSE is tighter as well; for the revised method the 25th and 75th percentiles are 4.1 and 13.7 mm Hg, respectively, as compared to 5.1 and 18.8 mm Hg for the original method. Conclusions Proposed alterations to a procedure for estimating ZFP lead to more accurate and more precise estimates of ICP, thereby offering improved means of estimating it noninvasively. The quality of the estimates is inadequate for many applications, but further work is proposed which may lead to clinically useful results. PMID:22824923

Elasticity of water-saturated rocks as a function of temperature and pressure.

NASA Technical Reports Server (NTRS)

Takeuchi, S.; Simmons, G.

1973-01-01

Compressional and shear wave velocities of water-saturated rocks were measured as a function of both pressure and temperature near the melting point of ice to confining pressure of 2 kb. The pore pressure was kept at about 1 bar before the water froze. The presence of a liquid phase (rather than ice) in microcracks of about 0.3% porosity affected the compressional wave velocity by about 5% and the shear wave velocity by about 10%. The calculated effective bulk modulus of the rocks changes rapidly over a narrow range of temperature near the melting point of ice, but the effective shear modulus changes gradually over a wider range of temperature. This phenomenon, termed elastic anomaly, is attributed to the existence of liquid on the boundary between rock and ice due to local stresses and anomalous melting of ice under pressure.

Mechanical behavior, electronic and phonon properties of ZrB12 under pressure

NASA Astrophysics Data System (ADS)

Li, Xiao-Hong; Yong, Yong-Liang; Cui, Hong-Ling; Zhang, Rui-Zhou

2018-06-01

The mechanical, phonon and electronic properties of ZrB12 under pressure are investigated by first-principles calculations. The research shows that ZrB12 is mechanically and dynamically stable up to 100 GPa. The elastic constants, bulk modulus B, shear modulus G, hardness Hv, B/G ratio, Debye temperature under different pressures are systematically investigated. The calculation of electronic properties shows that ZrB12 has metallic character. The Zr-d states dominate the DOS at the Fermi level, and the total DOS and PDOS change slightly with the increasing pressure. DOS (Ef) first decreases, then increases with the increasing pressure. At 50 GPa, ZrB12 has less electron carriers. The analysis of electron localization function shows that the strong B-B and Zr-B covalent bonds may be responsible for the high hardness and stability.

Mechanical, lattice dynamical and electronic properties of CeO2 at high pressure: First-principles studies

NASA Astrophysics Data System (ADS)

Li, Mei; Jia, Huiling; Li, Xueyan; Liu, Xuejie

2016-01-01

The elastic constants (Cij), bulk modulus (B), shear modulus (G) and elastic modulus (E) of cubic fluorite CeO2 under high pressure have been studied using the plane-wave pseudopotential method based on density functional theory. The calculated results show that the mechanical properties (Cij, B, G and E) of CeO2 increase with increasing pressure, and the phase transition of CeO2 occurs beyond the pressure of 130 GPa. From the calculated phonon spectrum using Parlinsk-Li-Kawasoe method, we found that CeO2 appears imaginary frequency at 140 GPa, which indicates phase transition. The energy band, density of states and charge density of CeO2 under high pressure are calculated using GGA+U method. It is found that the high pressure makes the electron delocalization and Ce-O covalent bonding enhanced. As pressure increases, the band gap between O2p and Ce4f states near the Fermi level increases, and CeO2 nonmetallic nature promotes. The present research results in a better understanding of how CeO2 responds to compression.

Effects of zero reference position on bladder pressure measurements: an observational study.

PubMed

Soler Morejón, Caridad De Dios; Lombardo, Tomás Ariel; Tamargo Barbeito, Teddy Osmin; Sandra, Barquín García

2012-07-05

Although the World Society for Abdominal Compartment Syndrome in its guidelines recommends midaxillary line (MAL) as zero reference level in intra-abdominal pressure (IAP) measurements in aiming at standardizing the technique, evidence supporting this suggestion is scarce. The aim of this study is to study if the zero reference position influences bladder pressure measurements as estimate for IAP. The IAP of 100 surgical patients was measured during the first 24 h of admission to the surgical intensive care unit of General Calixto Garcia Hospital in Havana (Cuba) following laparotomy. The period was January 2009 to January 2010. The IAP was measured twice with a six-hour interval using the transurethral technique with a priming volume of 25 ml. IAP was first measured with the zero reference level placed at MAL (IAPMAL), followed by a second measurement at the level of the symphysis pubis (SP) after 3 minutes (IAPSP). Correlations were made between IAP and body mass index (BMI), type of surgery, gender, and age. Mean IAPMAL was 8.5 ± 2.8 mmHg vs. IAPSP 6.5 ± 2.8 mmHg (p < 0.0001). The bias between measurements was 2.0 ± 1.5, 95% confidence interval of 1.4 to 3.0, upper limit of 4.9, lower limit of -0.9, and a percentage error of 35.1%. IAPMAL was consistently higher than IAPSP regardless of the type of surgery. The BMI correlated with IAP values regardless of the zero reference level (R2 = 0.4 and 0.3 with IAPMAL and IAPSP respectively, p < 0.0001). The zero reference level has an important impact on IAP measurement in surgical patients after laparotomy and can potentially lead to over or underestimation. Further anthropometric studies are needed with regard to the relative MAL and SP zero reference position in relation to the theoretical ideal reference level at midpoint of the abdomen. Until better evidence is available, MAL remains the recommended zero reference position due to its best anatomical localization at iliac crest.

Effects of zero reference position on bladder pressure measurements: an observational study

PubMed Central

2012-01-01

Background Although the World Society for Abdominal Compartment Syndrome in its guidelines recommends midaxillary line (MAL) as zero reference level in intra-abdominal pressure (IAP) measurements in aiming at standardizing the technique, evidence supporting this suggestion is scarce. The aim of this study is to study if the zero reference position influences bladder pressure measurements as estimate for IAP. Methods The IAP of 100 surgical patients was measured during the first 24 h of admission to the surgical intensive care unit of General Calixto Garcia Hospital in Havana (Cuba) following laparotomy. The period was January 2009 to January 2010. The IAP was measured twice with a six-hour interval using the transurethral technique with a priming volume of 25 ml. IAP was first measured with the zero reference level placed at MAL (IAPMAL), followed by a second measurement at the level of the symphysis pubis (SP) after 3 minutes (IAPSP). Correlations were made between IAP and body mass index (BMI), type of surgery, gender, and age. Results Mean IAPMAL was 8.5 ± 2.8 mmHg vs. IAPSP 6.5 ± 2.8 mmHg (p < 0.0001). The bias between measurements was 2.0 ± 1.5, 95% confidence interval of 1.4 to 3.0, upper limit of 4.9, lower limit of -0.9, and a percentage error of 35.1%. IAPMAL was consistently higher than IAPSP regardless of the type of surgery. The BMI correlated with IAP values regardless of the zero reference level (R2 = 0.4 and 0.3 with IAPMAL and IAPSP respectively, p < 0.0001). Conclusions The zero reference level has an important impact on IAP measurement in surgical patients after laparotomy and can potentially lead to over or underestimation. Further anthropometric studies are needed with regard to the relative MAL and SP zero reference position in relation to the theoretical ideal reference level at midpoint of the abdomen. Until better evidence is available, MAL remains the recommended zero reference position due to its best anatomical localization at iliac

Investigation of different physical aspects such as structural, mechanical, optical properties and Debye temperature of Fe2ScM (M=P and As) semiconductors: A DFT-based first principles study

NASA Astrophysics Data System (ADS)

Ali, Md. Lokman; Rahaman, Md. Zahidur

2018-04-01

By using first principles calculation dependent on the density functional theory (DFT), we have investigated the mechanical, structural properties and the Debye temperature of Fe2ScM (M=P and As) compounds under various pressures up to 60 GPa. The optical properties have been investigated under zero pressure. Our calculated optimized structural parameters of both the materials are in good agreement with other theoretical predictions. The calculated elastic constants show that Fe2ScM (M=P and As) compounds are mechanically stable under external pressure below 60 GPa. From the elastic constants, the shear modulus G, the bulk modulus B, Young’s modulus E, anisotropy factor A and Poisson’s ratio ν are calculated by using the Voigt-Reuss-Hill approximation. The Debye temperature and average sound velocities are also investigated from the obtained elastic constants. The detailed analysis of all optical functions reveals that both compounds are good dielectric material.

LH2 tank pressure control by thermodynamic vent system (TVS) at zero gravity

NASA Astrophysics Data System (ADS)

Wang, B.; Huang, Y. H.; Chen, Z. C.; Wu, J. Y.; Li, P.; Sun, P. J.

2017-02-01

Thermodynamic vent system (TVS) is employed for pressure control of propellant tanks at zero gravity. An analytical lumped parameter model is developed to predict pressure variation in an 18.09 m3 liquid hydrogen tank equipped with TVS. Mathematical simulations are carried out assuming tank is filled up to 75% volume (liquid mass equals to 945 kg) and is subjected to heat flux of 0.76 W/m2. Tank pressure controls at 165.5-172.4, 165.5-179.3 and 165.5-182.2 kPa are compared with reference to number of vent cycles, vent duration per cycle and loss of hydrogen. Analysis results indicate that the number of vent cycles significantly decreases from 62 to 21 when tank pressure control increases from 6.9 to 20.4 kPa. Also, duration of vent cycle increases from 63 to 152 and cycle duration decreases from 3920 to 3200 s. Further, the analysis result suggests that LH2 evaporation loss per day decreases from 0.17 to 0.14%. Based on the results of analysis, TVS is found effective in controlling the propellant tank pressure in zero gravity.

Zero drift of intraventricular and subdural intracranial pressure monitoring systems.

PubMed

Chen, Li; Du, Hang-gen; Yin, Li-chun; He, Min; Zhang, Guo-jun; Tian, Yong; Wang, Cheng; Hao, Bi-lie; Li, Hong-yu

2013-01-01

To assess zero drift of intraventricular and subdural intracranial pressure (ICP) monitoring systems. A prospective study was conducted in patients who received Codman ICP monitoring in the neurosurgical department from January 2010 to December 2011. According to the location of sensors, the patients were categorized into two groups: intraventricular group and subdural group. Zero drift between the two groups and its association with the duration of ICP monitor were analyzed. Totally, 22 patients undergoing intraventricular ICP monitoring and 27 receiving subdural ICP monitoring were enrolled. There was no significant difference in duration of ICP monitoring, zero drift value and its absolute value between intraventricular and subdural groups (5.38 d+/-2.58 d vs 4.58 d+/-2.24 d, 0.77 mm Hg+/-2.18 mm Hg vs 1.03 mm Hg+/-2.06 mm Hg, 1.68 mm Hg+/-1.55 mm Hg vs 1.70 mm Hg+/-1.53 mm Hg, respectively; all P larger than 0.05). Absolute value of zero drift in both groups significantly rose with the increased duration of ICP monitoring (P less than 0.05) while zero drift value did not. Moreover, daily absolute value in the intraventricular group was significantly smaller than that in the subdural group (0.27 mm Hg+/-0.32 mm Hg vs 0.29 mm Hg+/-0.18 mm Hg, P less than 0.05). This study demonstrates that absolute value of zero drift significantly correlates with duration of both intraventricular and subdural ICP monitoring. Due to the smaller daily absolute value, ICP values recorded from intraventricular system may be more reliable than those from subdural system.

Elastic properties of crystalline and liquid gallium at high pressures

NASA Astrophysics Data System (ADS)

Lyapin, A. G.; Gromnitskaya, E. L.; Yagafarov, O. F.; Stal'Gorova, O. V.; Brazhkin, V. V.

2008-11-01

The elastic properties of gallium, such as the bulk modulus B, the shear modulus G, and the Poisson’s ratio σ, are investigated and the relative change in the volume is determined in the stability regions of the Ga I, Ga II, and liquid phases at pressures of up to 1.7 GPa. The observed lines of the Ga I-Ga II phase transition and the melting curves of the Ga I and Ga II phases are in good agreement with the known phase diagram of gallium; in this case, the coordinates of the Ga I-Ga II-melt triple point are determined to be 1.24 ± 0.40 GPa and 277 ± 2 K. It is shown that the Ga I-Ga II phase transition is accompanied by a considerable decrease in the moduli B (by 30%) and G (by 55%) and an increase in the density by 5.7%. The Poisson’s ratio exhibits a jump from typically covalent values of approximately 0.22-0.25 to values of approximately 0.32-0.33, which are characteristic of metals. The observed behavior of the elastic characteristics is described in the framework of the model of the phase transition from a “quasi-molecular” (partially covalent) metal state to a “normal” metal state. An increase in the Poisson’s ratio in the Ga I phase from 0.22 to 0.25 with an increase in the pressure can be interpreted as a decrease in the degree of covalence, i.e., the degree of spatial anisotropy of the electron density along the bonds, whereas the large value of the pressure derivative of the bulk modulus (equal to approximately 8) observed up to the transition to the Ga II phase or the melt is associated not only with the quasicovalent nature of the Ga I phase but also with the structural features. In view of the presence of seven neighbors for each gallium atom in the Ga I phase, the gallium lattice can be treated as a structure intermediate between typical open-packed and close-packed structures. Premelting effects, such as a flattening of the isothermal dependence of the shear modulus G( p) with increasing pressure and an increase in the slope of the

Optimization of design parameters for bulk micromachined silicon membranes for piezoresistive pressure sensing application

NASA Astrophysics Data System (ADS)

Belwanshi, Vinod; Topkar, Anita

2016-05-01

Finite element analysis study has been carried out to optimize the design parameters for bulk micro-machined silicon membranes for piezoresistive pressure sensing applications. The design is targeted for measurement of pressure up to 200 bar for nuclear reactor applications. The mechanical behavior of bulk micro-machined silicon membranes in terms of deflection and stress generation has been simulated. Based on the simulation results, optimization of the membrane design parameters in terms of length, width and thickness has been carried out. Subsequent to optimization of membrane geometrical parameters, the dimensions and location of the high stress concentration region for implantation of piezoresistors have been obtained for sensing of pressure using piezoresistive sensing technique.

Estimation of Dry Fracture Weakness, Porosity, and Fluid Modulus Using Observable Seismic Reflection Data in a Gas-Bearing Reservoir

NASA Astrophysics Data System (ADS)

Chen, Huaizhen; Zhang, Guangzhi

2017-05-01

Fracture detection and fluid identification are important tasks for a fractured reservoir characterization. Our goal is to demonstrate a direct approach to utilize azimuthal seismic data to estimate fluid bulk modulus, porosity, and dry fracture weaknesses, which decreases the uncertainty of fluid identification. Combining Gassmann's (Vier. der Natur. Gesellschaft Zürich 96:1-23, 1951) equations and linear-slip model, we first establish new simplified expressions of stiffness parameters for a gas-bearing saturated fractured rock with low porosity and small fracture density, and then we derive a novel PP-wave reflection coefficient in terms of dry background rock properties (P-wave and S-wave moduli, and density), fracture (dry fracture weaknesses), porosity, and fluid (fluid bulk modulus). A Bayesian Markov chain Monte Carlo nonlinear inversion method is proposed to estimate fluid bulk modulus, porosity, and fracture weaknesses directly from azimuthal seismic data. The inversion method yields reasonable estimates in the case of synthetic data containing a moderate noise and stable results on real data.

Elasticity, shear-mode softening and high-pressure polymorphism of wüstite (Fe1-xO)

NASA Astrophysics Data System (ADS)

Jackson, Ian; Khanna, S. K.; Revcolevschi, A.; Berthon, J.

1990-12-01

Elastic wave travel times have been determined as functions of hydrostatic pressure to 3 GPa for five modes of propagation in synthetic single-crystal wüstite Feo.943O by ultrasonic phase comparison. The measured travel times, corrected for transducer-bond phase shifts, constrain very accurately the zero-pressure elastic moduli (GPa) and, for the first time, their first pressure derivatives (dimensionless) as follows: C11∶218.4, dC11/dP∶9.65, C12∶123.0, dC12/dP∶2.77, C44∶45.5, dC44/dP∶-1.03. The zero-pressure moduli are in good agreement with the results of previous determinations by ultrasonic wave propagation but not with all of the moduli determined by resonance techniques. The variation of bulk modulus with pressure calculated from the Cij (P) is extrapolated to much higher pressures via third-order Eulerian isotherms and isentropes based on K0S = 154.9 GPa and (dKs/dP)0T = 4.90. The resulting isothermal and shock compression curves satisfactorily reproduce the experimental data to ˜70 GPa, thereby providing a unified description of essentially all data bearing on the compressibility of wüstite. At higher pressures, published shock compression studies provide clear evidence for the existence of a different phase of much greater density and incompressibility. Metallic values of electrical conductivity have been reported for pressures >70 GPa under conditions of shock and high-temperature static loading. Polyhedral face-sharing in either the B8(NiAs) or B2(CsCl) (or derivative) structures would result in shorter Fe-Fe distances, allowing greater 3d orbital overlap conducive to metallic conductivity. However, none of these possibilities satisfactorily accounts for the large inferred increase (14-20%) in zero-pressure density unless the Fe-O distance is also reduced by 3-5% by electron delocalization or spin-pairing. The marked violation of the Cauchy condition associated with the very low value of C44 and its unusual temperature and pressure

Pore closure in zeolitic imidazolate frameworks under mechanical pressure.

PubMed

Henke, Sebastian; Wharmby, Michael T; Kieslich, Gregor; Hante, Inke; Schneemann, Andreas; Wu, Yue; Daisenberger, Dominik; Cheetham, Anthony K

2018-02-14

We investigate the pressure-dependent mechanical behaviour of the zeolitic imidazolate framework ZIF-4 (M(im) 2 ; M 2+ = Co 2+ or Zn 2+ , im - = imidazolate) with high pressure, synchrotron powder X-ray diffraction and mercury intrusion measurements. A displacive phase transition from a highly compressible open pore ( op ) phase with continuous porosity (space group Pbca , bulk modulus ∼1.4 GPa) to a closed pore ( cp ) phase with inaccessible porosity (space group P 2 1 / c , bulk modulus ∼3.3-4.9 GPa) is triggered by the application of mechanical pressure. Over the course of the transitions, both ZIF-4 materials contract by about 20% in volume. However, the threshold pressure, the reversibility and the immediate repeatability of the phase transition depend on the metal cation. ZIF-4(Zn) undergoes the op-cp phase transition at a hydrostatic mechanical pressure of only 28 MPa, while ZIF-4(Co) requires about 50 MPa to initiate the transition. Interestingly, ZIF-4(Co) fully returns to the op phase after decompression, whereas ZIF-4(Zn) remains in the cp phase after pressure release and requires subsequent heating to switch back to the op phase. These variations in high pressure behaviour can be rationalised on the basis of the different electron configurations of the respective M 2+ ions (3d 10 for Zn 2+ and 3d 7 for Co 2+ ). Our results present the first examples of op-cp phase transitions ( i.e. breathing transitions) of ZIFs driven by mechanical pressure and suggest potential applications of these functional materials as shock absorbers, nanodampers, or in mechanocalorics.

Synthesis of Hf 8O 7, a new binary hafnium oxide, at high pressures and high temperatures

DOE PAGES

Bayarjargal, L.; Morgenroth, W.; Schrodt, N.; ...

2017-01-23

In this paper, two binary phases in the system Hf-O have been synthesized at pressures between 12 and 34 GPa and at temperatures up to 3000 K by reacting Hf with HfO 2 using a laser-heated diamond anvil cell. In situ X-ray diffraction in conjunction with density functional theory calculations has been employed to characterize a previously unreported tetragonal Hf 8O 7 phase. This phase has a structure which is based on an fcc Hf packing with oxygen atoms occupying octahedral interstitial positions. Its predicted bulk modulus is 223(1) GPa. The second phase has a composition close to Hf 6O,more » where oxygen atoms occupy octahedral interstitial sites in an hcp Hf packing. Its experimentally determined bulk modulus is 128(30) GPa. Finally, the phase diagram of Hf metal was further constrained at high pressures and temperatures, where we show that α-Hf transforms to β-Hf around 2160(150) K and 18.2 GPa and β-Hf remains stable up to at least 2800 K at this pressure.« less

Thermodynamic properties by Equation of state of liquid sodium under pressure

NASA Astrophysics Data System (ADS)

Li, Huaming; Sun, Yongli; Zhang, Xiaoxiao; Li, Mo

Isothermal bulk modulus, molar volume and speed of sound of molten sodium are calculated through an equation of state of a power law form within good precision as compared with the experimental data. The calculated internal energy data show the minimum along the isothermal lines as the previous result but with slightly larger values. The calculated values of isobaric heat capacity show the unexpected minimum in the isothermal compression. The temperature and pressure derivative of various thermodynamic quantities in liquid Sodium are derived. It is discussed about the contribution from entropy to the temperature and pressure derivative of isothermal bulk modulus. The expressions for acoustical parameter and nonlinearity parameter are obtained based on thermodynamic relations from the equation of state. Both parameters for liquid Sodium are calculated under high pressure along the isothermal lines by using the available thermodynamic data and numeric derivations. By comparison with the results from experimental measurements and quasi-thermodynamic theory, the calculated values are found to be very close at melting point at ambient condition. Furthermore, several other thermodynamic quantities are also presented. Scientific Research Starting Foundation from Taiyuan university of Technology, Shanxi Provincial government (``100-talents program''), China Scholarship Council and National Natural Science Foundation of China (NSFC) under Grant No. 11204200.

Robust zero resistance in a superconducting high-entropy alloy at pressures up to 190 GPa

PubMed Central

Guo, Jing; Wang, Honghong; von Rohr, Fabian; Wang, Zhe; Cai, Shu; Zhou, Yazhou; Yang, Ke; Li, Aiguo; Jiang, Sheng; Wu, Qi; Cava, Robert J.; Sun, Liling

2017-01-01

We report the observation of extraordinarily robust zero-resistance superconductivity in the pressurized (TaNb)0.67(HfZrTi)0.33 high-entropy alloy––a material with a body-centered-cubic crystal structure made from five randomly distributed transition-metal elements. The transition to superconductivity (TC) increases from an initial temperature of 7.7 K at ambient pressure to 10 K at ∼60 GPa, and then slowly decreases to 9 K by 190.6 GPa, a pressure that falls within that of the outer core of the earth. We infer that the continuous existence of the zero-resistance superconductivity from 1 atm up to such a high pressure requires a special combination of electronic and mechanical characteristics. This high-entropy alloy superconductor thus may have a bright future for applications under extreme conditions, and also poses a challenge for understanding the underlying quantum physics. PMID:29183981

Robust zero resistance in a superconducting high-entropy alloy at pressures up to 190 GPa

NASA Astrophysics Data System (ADS)

Guo, Jing; Wang, Honghong; von Rohr, Fabian; Wang, Zhe; Cai, Shu; Zhou, Yazhou; Yang, Ke; Li, Aiguo; Jiang, Sheng; Wu, Qi; Cava, Robert J.; Sun, Liling

2017-12-01

We report the observation of extraordinarily robust zero-resistance superconductivity in the pressurized (TaNb)0.67(HfZrTi)0.33 high-entropy alloy--a material with a body-centered-cubic crystal structure made from five randomly distributed transition-metal elements. The transition to superconductivity (TC) increases from an initial temperature of 7.7 K at ambient pressure to 10 K at ˜60 GPa, and then slowly decreases to 9 K by 190.6 GPa, a pressure that falls within that of the outer core of the earth. We infer that the continuous existence of the zero-resistance superconductivity from 1 atm up to such a high pressure requires a special combination of electronic and mechanical characteristics. This high-entropy alloy superconductor thus may have a bright future for applications under extreme conditions, and also poses a challenge for understanding the underlying quantum physics.

High-pressure synthesis and characterization of incompressible titanium pernitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhadram, Venkata S.; Kim, Duck Young; Strobel, Timothy A.

A new transition-metal pernitride, TiN 2, was uncovered from the chemical reaction of TiN with N 2 at 73GPa in a laser-heated diamond anvil cell (DAC). The crystal structure of this compound exhibits tetragonal I 4/ mcm symmetry and consists of single-bonded nitrogen dimers (N–N dumbbells) embedded in the metal lattice as shown by our ab initio calculations and verified by in situ synchrotron x-ray diffraction measurements. The pressure-volume equation of state determined from the experimental data reveals that TiN 2 is incompressible with bulk modulus in the range of 360-385 GPa which is close to that of cubic boronmore » nitride (382 GPa). Here, the origin of high bulk modulus of TiN 2 (which is metallic) is rooted in the nearly filled anti-bonding states of the pernitride units. TiN 2 is fully recoverable to ambient conditions and represents the lowest-density transition metal pernitride synthesized to date.« less

High-pressure synthesis and characterization of incompressible titanium pernitride

DOE PAGES

Bhadram, Venkata S.; Kim, Duck Young; Strobel, Timothy A.

2016-03-07

A new transition-metal pernitride, TiN 2, was uncovered from the chemical reaction of TiN with N 2 at 73GPa in a laser-heated diamond anvil cell (DAC). The crystal structure of this compound exhibits tetragonal I 4/ mcm symmetry and consists of single-bonded nitrogen dimers (N–N dumbbells) embedded in the metal lattice as shown by our ab initio calculations and verified by in situ synchrotron x-ray diffraction measurements. The pressure-volume equation of state determined from the experimental data reveals that TiN 2 is incompressible with bulk modulus in the range of 360-385 GPa which is close to that of cubic boronmore » nitride (382 GPa). Here, the origin of high bulk modulus of TiN 2 (which is metallic) is rooted in the nearly filled anti-bonding states of the pernitride units. TiN 2 is fully recoverable to ambient conditions and represents the lowest-density transition metal pernitride synthesized to date.« less

Near-zero thermal expansion in magnetically ordered state in dysprosium at high pressures and low temperatures

NASA Astrophysics Data System (ADS)

Hope, Kevin M.; Samudrala, Gopi K.; Vohra, Yogesh K.

2017-01-01

The atomic volume of rare earth metal dysprosium (Dy) has been measured up to high pressures of 35 GPa and low temperatures between 200 and 7 K in a diamond anvil cell using angle dispersive X-ray diffraction at a synchrotron source. The hexagonal close-packed (hcp), alpha-Samarium (α-Sm), and double hexagonal close-packed (dhcp) phases are observed to be stable in Dy under high-pressure and low-temperature conditions achieved in our experiments. Dy is known to undergo magnetic ordering below 176 K at ambient pressure with magnetic ordering Néel temperature (TN) that changes rapidly with increasing pressure. Our experimental measurement shows that Dy has near-zero thermal expansion in the magnetically ordered state and normal thermal expansion in the paramagnetic state for all the three known high pressure phases (hcp, α-Sm, and dhcp) to 35 GPa. This near-zero thermal expansion behavior in Dy is observed below the magnetic ordering temperature TN at all pressures up to 35 GPa.

Labyrinth and cerebral-spinal fluid pressure changes in guinea pigs and monkeys during simulated zero G

NASA Technical Reports Server (NTRS)

Parker, D. E.

1977-01-01

This study was undertaken to explore the hypothesis that shifts of body fluids from the legs and torso toward the head contribute to the motion sickness experienced by astronauts and cosmonauts. The shifts in body fluids observed during zero-G exposure were simulated by elevating guinea pigs' and monkeys' torsos and hindquarters. Cerebral-spinal fluid pressure was recorded from a transducer located in a brain ventricle; labyrinth fluid pressure was recorded from a pipette cemented in a hole in a semicircular canal. An anticipated divergence in cerebral-spinal fluid pressure and labyrinth fluid pressure during torso elevation was not observed. The results of this study do not support a fluid shift mechanism of zero-G-induced motion sickness. However, a more complete test of the fluid shift mechanism would be obtained if endolymph and perilymph pressure changes were determined separately; we have been unable to perform this test to date.

First-principles investigation of mechanical and electronic properties of tetragonal NbAl3 under tension

NASA Astrophysics Data System (ADS)

Jiao, Zhen; Liu, Qi-Jun; Liu, Fu-Sheng; Tang, Bin

2018-06-01

Using the density functional theory calculations, the mechanical and electronic properties of NbAl3 under different tensile loads were investigated. The calculated lattice parameters, elastic constants and mechanical properties (bulk modulus, shear modulus, Young's modulus, Poisson's ratio, Pugh's criterion and Cauchy's pressure) indicated that our results were in agreement with the published experimental and theoretical data at zero tension. With respect to NbAl3 under tension in this paper, the crystal structure was changed from tetragonal to orthorhombic under tension along the [100] and [101] directions. The NbAl3 crystal has been classified as brittle material under tension from 0 to 20 GPa. The obtained Young's modulus and Debye temperature monotonically decreased with increasing tension stress. Combining with mechanical and electronic properties in detail, the decreased mechanical properties were mainly due to the weakening of covalency.

Pressure effect on the structural, phonon, elastic and thermodynamic properties of L12 phase RH3TA: First-principles calculations

NASA Astrophysics Data System (ADS)

Wang, Leini; Jian, Zhang; Ning, Wei

2018-06-01

The phonon, elastic and thermodynamic properties of L12 phase Rh3Ta have been investigated by the density functional theory (DFT) approach combined with the quasi-harmonic approximation model. The results of the phonon band structure show that L12 phase Rh3Ta possesses dynamical stability in the pressure range from 0-80 GPa due to the absence of imaginary frequencies. The pressure dependences with the elastic constants Cij, shear modulus G, bulk modulus B, Young’s modulus Y, Poisson’s ratio and B/G ratio have been analyzed. The results of the elastic properties studies show that L12 phase Rh3Ta compound is mechanically stable and possesses a higher hardness, improved ductility and plasticity under higher pressures. The pressure and temperature relationship of the thermodynamic properties, such as the Debye temperature ΘD, heat capacity Cp, thermal expansion coefficient α and the Grüneisen parameter γ are predicted by the quasi-harmonic Debye model in a wide pressure (0-80 GPa) and temperature (0-750 K) ranges.

Correlated Time-Variation of Asphalt Rheology and Bulk Microstructure

NASA Astrophysics Data System (ADS)

Ramm, Adam; Nazmus, Sakib; Bhasin, Amit; Downer, Michael

We use noncontact optical microscopy and optical scattering in the visible and near-infrared spectrum on Performance Grade (PG) asphalt binder to confirm the existence of microstructures in the bulk. The number of visible microstructures increases linearly as penetration depth of the incident radiation increases, which verifies a uniform volume distribution of microstructures. We use dark field optical scatter in the near-infrared to measure the temperature dependent behavior of the bulk microstructures and compare this behavior with Dynamic Shear Rheometer (DSR) measurements of the bulk complex shear modulus | G* (T) | . The main findings are: (1) After reaching thermal equilibrium, both temperature dependent optical scatter intensity (I (T)) and bulk shear modulus (| G* (T) |) continue to change appreciably for times much greater than thermal equilibration times. (2) The hysteresis behavior during a complete temperature cycle seen in previous work derives from a larger time dependence in the cooling step compared with the heating step. (3) Different binder aging conditions show different thermal time-variations for both I (T) and | G* (T) | .

Near-zero thermal expansion in magnetically ordered state in dysprosium at high pressures and low temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hope, Kevin M.; Samudrala, Gopi K.; Vohra, Yogesh K.

The atomic volume of rare earth metal Dysprosium (Dy) has been measured up to high pressures of 35 GPa and low temperatures between 200 K and 7 K in a diamond anvil cell using angle dispersive x-ray diffraction at a synchrotron source. The hexagonal close-packed (hcp), alpha-Samarium (α-Sm), and double hexagonal close packed (dhcp) phases are observed to be stable in Dy under high-pressure and low-temperature conditions achieved in our experiments. Dy is known to undergo magnetic ordering below 176 K at ambient pressure with magnetic ordering Néel temperature (T N) that changes rapidly with increasing pressure. Our experimental measurementmore » shows that Dy has near-zero thermal expansion in the magnetically ordered state and normal thermal expansion in the paramagnetic state for all the three known high pressure phases (hcp, α-Sm, and dhcp) to 35 GPa. This near-zero thermal expansion behavior in Dy is observed below the magnetic ordering temperature T N at all pressures up to 35 GPa.« less

Near-zero thermal expansion in magnetically ordered state in dysprosium at high pressures and low temperatures

DOE PAGES

Hope, Kevin M.; Samudrala, Gopi K.; Vohra, Yogesh K.

2017-01-01

The atomic volume of rare earth metal Dysprosium (Dy) has been measured up to high pressures of 35 GPa and low temperatures between 200 K and 7 K in a diamond anvil cell using angle dispersive x-ray diffraction at a synchrotron source. The hexagonal close-packed (hcp), alpha-Samarium (α-Sm), and double hexagonal close packed (dhcp) phases are observed to be stable in Dy under high-pressure and low-temperature conditions achieved in our experiments. Dy is known to undergo magnetic ordering below 176 K at ambient pressure with magnetic ordering Néel temperature (T N) that changes rapidly with increasing pressure. Our experimental measurementmore » shows that Dy has near-zero thermal expansion in the magnetically ordered state and normal thermal expansion in the paramagnetic state for all the three known high pressure phases (hcp, α-Sm, and dhcp) to 35 GPa. This near-zero thermal expansion behavior in Dy is observed below the magnetic ordering temperature T N at all pressures up to 35 GPa.« less

First-principles study of the structural, elastic, vibrational, thermodynamic and electronic properties of the Mo2B intermetallic under pressure

NASA Astrophysics Data System (ADS)

Escamilla, R.; Carvajal, E.; Cruz-Irisson, M.; Romero, M.; Gómez, R.; Marquina, V.; Galván, D. H.; Durán, A.

2016-12-01

The structural, elastic, vibrational, thermodynamic and electronic properties of the Mo2B intermetallic under pressure are assessed using first-principles calculations based on the generalized gradient approximation (GGA) proposed by Perdew-Wang (PW91). Our results show that the calculated structural parameters at a pressure of zero GPa are in good agreement with the available experimental data. The effect of high pressures on the lattice constants shows that the compression along the c-axis and along the a-axis are similar. The elastic constants were calculated using the static finite strain technique, and the bulk shear moduli are derived from the ideal polycrystalline aggregate. We find that the elastic constants, elastic modulus and hardness monotonically increase as a function of pressure; consequently, the structure is dynamically stable and tends from brittle to ductile behavior under pressure. The Debye temperature θD increases and the so-called Gru¨ neisen constant γ decreases due to stiffening of the crystal structure. The phonon dispersion curves were obtained using the direct method. Additionally, the internal energy (ΔE), the Helmholtz free energy (ΔF), the entropy (S) and the lattice contribution to the heat capacity Cv were calculated and analyzed with the help of the phonon dispersion curves. The N(EF) and the electron transfer between the B and Mo atoms increase as a function of pressure.

Anisotropic Bianchi Type-I and Type-II Bulk Viscous String Cosmological Models Coupled with Zero Mass Scalar Field

NASA Astrophysics Data System (ADS)

Venkateswarlu, R.; Sreenivas, K.

2014-06-01

The LRS Bianchi type-I and type-II string cosmological models are studied when the source for the energy momentum tensor is a bulk viscous stiff fluid containing one dimensional strings together with zero-mass scalar field. We have obtained the solutions of the field equations assuming a functional relationship between metric coefficients when the metric is Bianchi type-I and constant deceleration parameter in case of Bianchi type-II metric. The physical and kinematical properties of the models are discussed in each case. The effects of Viscosity on the physical and kinematical properties are also studied.

Structural and thermodynamic properties of WB at high pressure and high temperature

NASA Astrophysics Data System (ADS)

Chen, Hai-Hua; Bi, Yan; Cheng, Yan; Ji, Guangfu; Peng, Fang; Hu, Yan-Fei

2012-12-01

The structure parameters and electronic structures of tungsten boride (WB) have been investigated by using the density functional theory (DFT). Our calculating results display the bulk modulus of WB are 352±2 GPa (K‧0=4.29) and 322±3 GPa (K‧0=4.21) by LDA and GGA methods, respectively. We have analyzed the probable reason of the discrepancy from the bulk modulus between theoretical and experimental results. The compression behavior of the unit cell axes is anisotropic, with the c-axis being more compressible than the a-axis. By analyzing the bond lengths information, it also demonstrated that WB has a lower compressibility at high pressure. From the partial densities of states (PDOS) of WB, we found that the Fermi lever is mostly contributed by the d states of W atom and p states of B atom and that the contributions from the s, p states of W atom and s states of B atom are small. Moreover, using the Gibbs 2 program, the thermodynamic properties of WB are obtained in a wide temperature range at high pressure for the first time in this work.

Pressure effect on the mechanical and electronic properties of B3N3: A first-principle study

NASA Astrophysics Data System (ADS)

Bagheri, Mohammad; Faez, Rahim

2018-05-01

In this paper, we perform Self-Consistent Field (SCF) energy calculation of Tetragonal B3N3 in the homogenous pressure range of -30 GPa to +160 GPa. Also, we study mechanical and electronic properties of this compound as a potential candidate for a conventional phonon-mediated superconductor with a high transition temperature. To do this, the volume changes of B3N3, and its bulk modulus, due to applying pressure in the range of -30 GPa to +160 GPa are calculated and analyzed. The calculated Bulk modulus of B3N3 at 230 GPa in the relaxed condition indicates the strength of bonds and its low compressibility. We calculated and analyzed the electronic effective mass in both XM and MA directions and anisotropy parameter in these two directions in the relaxed condition and under pressure in the range of -30 GPa to +160 GPa. It is shown that in overall, the direction in which the transport of electrons is parallel to the two perpendicular honeycomb planes has less effective mass and better conductivity than the other direction, in which the electronic transport is perpendicular to at least one of the hexagonal structure planes.

Vapor Pressures of Anesthetic Agents at Temperatures below Zero Degrees Celsius and a Novel Anesthetic Delivery Device

PubMed Central

Schenning, Katie J.; Casson, Henry; Click, Sarah V.; Brambrink, Lucas; Chatkupt, Thomas T.; Alkayed, Nabil J.; Hutchens, Michael P.

2016-01-01

At room temperature, the vapor pressures of desflurane, isoflurane, and sevoflurane are well above the clinically useful range. We hypothesized that therapeutic concentrations of these agents could be achieved at temperatures below zero, but the vapor pressure-temperature relationship is unknown below zero. Secondarily, we hypothesized that this relationship could be exploited to deliver therapeutic-range concentrations of anesthetic vapor. We therefore set out to determine the low temperature-vapor pressure relationships of each anesthetic agent thereby identifying the saturated vapor concentration of each agent at any temperature below zero. To test our hypothesis, we measured the saturated vapor concentration at 1 atmosphere of pressure for temperatures between -60°C and 0°C thus developing an empiric relationship for each agent. There was consistency in repeated experiments for all three agents. To test the empiric data we constructed a digitally-controlled thermoelectric anesthetic vaporizer, characterized the device, and used it to deliver anesthetic vapor to laboratory mice. We report, for the first time, the temperature-vapor pressure relationship at temperatures below 0°C for desflurane, isoflurane, and sevoflurane as well as the TMAC of these agents: the temperature at which the vapor pressure is equal to the minimum alveolar concentration. We describe the construction and limited validation of an anesthetic vaporizer prototype based on this principle. We conclude that clinically relevant concentrations of volatile anesthetics may be achieved at low temperatures. PMID:27632346

Acoustic perfect absorption and broadband insulation achieved by double-zero metamaterials

NASA Astrophysics Data System (ADS)

Wang, Xiaole; Luo, Xudong; Zhao, Hui; Huang, Zhenyu

2018-01-01

We report the mechanism for simultaneous realization of acoustic perfect absorption (PA) and broadband insulation (BI) in the acoustic free field by a layered acoustic metamaterial (LAM). The proposed LAM comprises two critically coupled membrane-type acoustic metamaterials sandwiching a porous material layer. Both theoretical and experimental results verify that the proposed LAM sample can achieve nearly PA (98.4% in experiments) at 312 Hz with a thickness of 15 mm (1/73 of wavelength) and BI in the frequency range of 200-1000 Hz with an areal density of 2.2 kg/m2. In addition, the real parts of both the effective dynamic density and bulk modulus reach zero precisely at the critical frequency of 312 Hz, arising from the monopolar eigenmode of LAM. Our work advances the concept of synthetic design of sound absorption and insulation properties of multi-impedance-coupled acoustic systems and promotes membrane-type acoustic metamaterials to more practical engineering applications.

Modulus stabilization in a non-flat warped braneworld scenario

NASA Astrophysics Data System (ADS)

Banerjee, Indrani; SenGupta, Soumitra

2017-05-01

The stability of the modular field in a warped brane world scenario has been a subject of interest for a long time. Goldberger and Wise (GW) proposed a mechanism to achieve this by invoking a massive scalar field in the bulk space-time neglecting the back-reaction. In this work, we examine the possibility of stabilizing the modulus without bringing about any external scalar field. We show that instead of flat 3-branes as considered in Randall-Sundrum (RS) warped braneworld model, if one considers a more generalized version of warped geometry with de Sitter 3-brane, then the brane vacuum energy automatically leads to a modulus potential with a metastable minimum. Our result further reveals that in this scenario the gauge hierarchy problem can also be resolved for an appropriate choice of the brane's cosmological constant.

High pressure synthesis of amorphous TiO2 nanotubes

NASA Astrophysics Data System (ADS)

Li, Quanjun; Liu, Ran; Wang, Tianyi; Xu, Ke; Dong, Qing; Liu, Bo; Liu, Jing; Liu, Bingbing

2015-09-01

Amorphous TiO2 nanotubes with diameters of 8-10 nm and length of several nanometers were synthesized by high pressure treatment of anatase TiO2 nanotubes. The structural phase transitions of anatase TiO2 nanotubes were investigated by using in-situ high-pressure synchrotron X-ray diffraction (XRD) method. The starting anatase structure is stable up to ˜20GPa, and transforms into a high-density amorphous (HDA) form at higher pressure. Pressure-modified high- to low-density transition was observed in the amorphous form upon decompression. The pressure-induced amorphization and polyamorphism are in good agreement with the previous results in ultrafine TiO2 nanoparticles and nanoribbons. The relationship between the LDA form and α-PbO2 phase was revealed by high-resolution transmission electron microscopy (HRTEM) study. In addition, the bulk modulus (B0 = 158 GPa) of the anatase TiO2 nanotubes is smaller than those of the corresponding bulks and nanoparticles (180-240 GPa). We suggest that the unique open-ended nanotube morphology and nanosize play important roles in the high pressure phase transition of TiO2 nanotubes.

High-pressure structural, elastic, and electronic properties of the scintillator host material KMgF3

NASA Astrophysics Data System (ADS)

Vaitheeswaran, G.; Kanchana, V.; Kumar, Ravhi S.; Cornelius, A. L.; Nicol, M. F.; Svane, A.; Delin, A.; Johansson, B.

2007-07-01

The high-pressure structural behavior of the fluoroperovskite KMgF3 is investigated by theory and experiment. Density functional calculations were performed within the local density approximation and the generalized gradient approximation for exchange and correlation effects, as implemented within the full-potential linear muffin-tin orbital method. In situ high-pressure powder x-ray diffraction experiments were performed up to a maximum pressure of 40GPa using synchrotron radiation. We find that the cubic Pm3¯m crystal symmetry persists throughout the pressure range studied. The calculated ground state properties—the equilibrium lattice constant, bulk modulus, and elastic constants—are in good agreement with experimental results. By analyzing the ratio between the bulk and shear moduli, we conclude that KMgF3 is brittle in nature. Under ambient conditions, KMgF3 is found to be an indirect gap insulator, with the gap increasing under pressure.

A machine learning approach as a surrogate of finite element analysis-based inverse method to estimate the zero-pressure geometry of human thoracic aorta.

PubMed

Liang, Liang; Liu, Minliang; Martin, Caitlin; Sun, Wei

2018-05-09

Advances in structural finite element analysis (FEA) and medical imaging have made it possible to investigate the in vivo biomechanics of human organs such as blood vessels, for which organ geometries at the zero-pressure level need to be recovered. Although FEA-based inverse methods are available for zero-pressure geometry estimation, these methods typically require iterative computation, which are time-consuming and may be not suitable for time-sensitive clinical applications. In this study, by using machine learning (ML) techniques, we developed an ML model to estimate the zero-pressure geometry of human thoracic aorta given 2 pressurized geometries of the same patient at 2 different blood pressure levels. For the ML model development, a FEA-based method was used to generate a dataset of aorta geometries of 3125 virtual patients. The ML model, which was trained and tested on the dataset, is capable of recovering zero-pressure geometries consistent with those generated by the FEA-based method. Thus, this study demonstrates the feasibility and great potential of using ML techniques as a fast surrogate of FEA-based inverse methods to recover zero-pressure geometries of human organs. Copyright © 2018 John Wiley & Sons, Ltd.

Pressure dependence of the optical phonon frequencies and the transverse effective charge in AlSb

NASA Astrophysics Data System (ADS)

Ves, S.; Strössner, K.; Cardona, M.

1986-02-01

The first order Raman scattering by TO and LO phonons has been measured in AlSb under hydrostatic' pressures up to its phase transition. The Raman frequencies increase nearly linear while the transverse effective charge e ∗T are compared with estimates based on pseudopotential and on LCAO calculation. In order to obtain from the measured pressure dependence the corresponding volume coefficients the bulk modulus B O and its pressure derivative BOˌ = {dBO}/{dP} was measured by energy-dispersive X-ray diffraction (B O = 55.1 GPa and BOˌ = 4.55 ).

Modeling the Propagation of Shock Waves in Metals

NASA Astrophysics Data System (ADS)

Howard, W. Michael

2005-07-01

We present modeling results for the propagation of strong shock waves in metals. In particular, we use an arbitrary Lagrange Eulerian (ALE3D) code to model the propagation of strong pressure waves (P ˜300 to 400 kbars) generated with high explosives in contact with aluminum cylinders. The aluminum cylinders are assumed to be both flat-topped and have large-amplitude curved surfaces. We use 3D Lagrange mechanics. For the aluminum we use a rate-independent Steinberg-Guinan model, where the yield strength and bulk modulus depends on pressure, density and temperature. The calculation of the melt temperature is based on the Lindermann law. At melt the yield strength and bulk modulus is set to zero. The pressure is represented as a seven-term polynomial as a function of density. For the HMX-based high explosive, we use a JWL, with a program burn model that gives the correct detonation velocity and C-J pressure (P ˜ 390 kbars). For the case of the large-amplitude curved surface, we discuss the evolving shock structure in terms of the early shock propagation experiments by Sakharov. We also discuss the dependence of our results upon our material model for aluminum.

Gain assisted nanocomposite multilayers with near zero permittivity modulus at visible frequencies

NASA Astrophysics Data System (ADS)

Rizza, Carlo; Di Falco, Andrea; Ciattoni, Alessandro

2011-11-01

We have fabricated a nano-laminate by alternating metal and gain medium layers, the gain dielectric consisting of a polymer incorporating optically pumped dye molecules. From standard reflection-transmission experiments, we show that, at a visible wavelength, both the real and the imaginary parts of the permittivity ɛ∥ attain very small values and we measure, at λ = 604 nm, |ɛ∥|=0.04 which is 21.5% smaller than its value in the absence of optical pumping. Our investigation thus proves that a medium with a permittivity with very small modulus, a key condition promising efficient subwavelength optical steering, can be actually synthesized.

Equation of state of liquid Indium under high pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Huaming, E-mail: huamingli@gatech.edu, E-mail: mo.li@gatech.edu; Li, Mo, E-mail: huamingli@gatech.edu, E-mail: mo.li@gatech.edu; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332

2015-09-15

We apply an equation of state of a power law form to liquid Indium to study its thermodynamic properties under high temperature and high pressure. Molar volume of molten indium is calculated along the isothermal line at 710K within good precision as compared with the experimental data in an externally heated diamond anvil cell. Bulk modulus, thermal expansion and internal pressure are obtained for isothermal compression. Other thermodynamic properties are also calculated along the fitted high pressure melting line. While our results suggest that the power law form may be a better choice for the equation of state of liquids,more » these detailed predictions are yet to be confirmed by further experiment.« less

Isentropic Bulk Modulus: Development of a Federal Test Method

DTIC Science & Technology

2016-01-01

ranging from 30-80 °C and applied pressures of 1,000-18,000 psi. This method has been applied successfully to aviation turbine fuels and diesel fuels...FFP), aviation fuel, diesel fuel, 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT 18. NUMBER OF PAGES 19a. NAME OF RESPONSIBLE...pressures of 1,000-18,000 psi. This method has been applied successfully to aviation turbine fuels and diesel fuels composed of petroleum, synthetic

Single crystal growth, crystalline structure investigation and high-pressure behavior of impurity-free siderite (FeCO3)

NASA Astrophysics Data System (ADS)

Liang, Wen; Yin, Yuan; Li, Zeming; Li, Rui; Li, Lin; He, Yu; Dong, Haini; Li, Zengsheng; Yan, Shuai; Zhai, Shuangmeng; Li, Heping

2018-03-01

Single crystals of impurity-free siderite were grown successfully using high-temperature-pressure annealing. The size of crystals ranged up to 100 µm, and they exhibited a rhomboid shape upon cleavage along the (101) plane. The composition of Fe0.9988±0.0011CO3 was quantified using electron probe analysis. Accurate crystalline structural data were investigated by means of single crystal X-ray diffraction (XRD) and the unit cell dimensions obtained in the rhombohedral symmetry of the R\\bar {3}c space group were a = 4.6861(3) and c = 15.362(2), and the final R = 0.0499. Using in situ synchrotron XRD, the high-pressure behavior of impurity-free siderite was investigated up to 20 GPa at ambient temperature. The pressure-volume (P-V) EoS was fitted by a third-order Birch-Murnaghan equation, and the isothermal bulk modulus was K 0 = 97.5(11) GPa for K 0' = 4. High-pressure Raman spectroscopy was performed at up to 30 GPa at ambient temperature, and the Raman bands shifted as the increase of pressure ({{d/ν _i}}{{{d}P}} ) was determined. In combination with the high-pressure Raman results and the bulk modulus K 0, the mode Grüneisen parameters of each vibration were calculated. Meanwhile, high-temperature Raman spectroscopy was carried out at up to 300 °C and the Raman band shift ({{d/ν _i}}{{{d}t}} ) was also quantified.

Experimental analysis of the boundary layer transition with zero and positive pressure gradient

NASA Technical Reports Server (NTRS)

Arnal, D.; Jullen, J. C.; Michel, R.

1980-01-01

The influence of a positive pressure gradient on the boundary layer transition is studied. The mean velocity and turbulence profiles of four cases are examined. As the intensity of the pressure gradient is increased, the Reynolds number of the transition onset and the length of the transition region are reduced. The Tollmein-Schlichting waves disturb the laminar regime; the amplification of these waves is in good agreement with the stability theory. The three dimensional deformation of the waves leads finally to the appearance of turbulence. In the case of zero pressure gradient, the properties of the turbulent spots are studied by conditional sampling of the hot-wire signal; in the case of positive pressure gradient, the turbulence appears in a progressive manner and the turbulent spots are much more difficult to characterize.

The bulk, surface and corner free energies of the square lattice Ising model

NASA Astrophysics Data System (ADS)

Baxter, R. J.

2017-01-01

We use Kaufman’s spinor method to calculate the bulk, surface and corner free energies {f}{{b}},{f}{{s}},{f}{{s}}\\prime ,{f}{{c}} of the anisotropic square lattice zero-field Ising model for the ordered ferromagnetic case. For {f}{{b}},{f}{{s}},{f}{{s}}\\prime our results of course agree with the early work of Onsager, McCoy and Wu. We also find agreement with the conjectures made by Vernier and Jacobsen (VJ) for the isotropic case. We note that the corner free energy f c depends only on the elliptic modulus k that enters the working, and not on the argument v, which means that VJ’s conjecture applies for the full anisotropic model. The only aspect of this paper that is new is the actual derivation of f c, but by reporting all four free energies together we can see interesting structures linking them.

Investigations on structural, elastic, thermodynamic and electronic properties of TiN, Ti2N and Ti3N2 under high pressure by first-principles

NASA Astrophysics Data System (ADS)

Yang, Ruike; Zhu, Chuanshuai; Wei, Qun; Du, Zheng

2016-11-01

The lattice parameters, cell volume, elastic constants, bulk modulus, shear modulus, Young's modulus and Poisson's ratio are calculated at zero pressure, and their values are in excellent agreement with the available data, for TiN, Ti2N and Ti3N2. By using the elastic stability criteria, it is shown that the three structures are all stable. The brittle/ductile behaviors are assessed in the pressures from 0 GPa to 50 GPa. Our calculations present that the performances for TiN, Ti2N and Ti3N2 become from brittle to ductile with pressure rise. The Debye temperature rises as pressure increase. With increasing N content, the enhancement of covalent interactions and decline of metallicity lead to the increase of the micro-hardness. Their constant volume heat capacities increase rapidly in the lower temperature, at a given pressure. At higher temperature, the heat capacities are close to the Dulong-Petit limit, and the heat capacities of TiN and Ti2N are larger than that of c-BN. The thermal expansion coefficients of titanium nitrides are slightly larger than that of c-BN. The band structure and the total Density of States (DOS) are calculated at 0 GPa and 50 GPa. The results show that TiN and Ti2N present metallic character. Ti3N2 present semiconducting character. The band structures have some discrepancies between 0 GPa and 50 GPa. The extent of energy dispersion increases slightly at 50 GPa, which means that the itinerant character of electrons becomes stronger at 50 GPa. The main bonding peaks of TiN, Ti2N and Ti3N2 locate in the range from -10 to 10 eV, which originate from the contribution of valance electron numbers of Ti s, Ti p, Ti d, N s and N p orbits. We can also find that the pressure makes that the total DOS decrease at the Fermi level for Ti2N. The bonding behavior of N-Ti compounds is a combination of covalent and ionic nature. As N content increases, valence band broadens, valence electron concentration increases, and covalent interactions become stronger

The Pressure Dependence of Structural, Electronic, Mechanical, Vibrational, and Thermodynamic Properties of Palladium-Based Heusler Alloys

NASA Astrophysics Data System (ADS)

Çoban, Cansu

2017-08-01

The pressure dependent behaviour of the structural, electronic, mechanical, vibrational, and thermodynamic properties of Pd2TiX (X=Ga, In) Heusler alloys was investigated by ab initio calculations. The lattice constant, the bulk modulus and its first pressure derivative, the electronic band structure and the density of states (DOS), mechanical properties such as elastic constants, anisotropy factor, Young's modulus, etc., the phonon dispersion curves and phonon DOS, entropy, heat capacity, and free energy were obtained under pressure. It was determined that the calculated lattice parameters are in good agreement with the literature, the elastic constants obey the stability criterion, and the phonon dispersion curves have no negative frequency which shows that the compounds are stable. The band structures at 0, 50, and 70 GPa showed valence instability at the L point which explains the superconductivity in Pd2TiX (X=Ga, In).

Zero pressure gradient boundary layer at extreme Reynolds numbers

NASA Astrophysics Data System (ADS)

Hultmark, Marcus; Vallikivi, Margit; Smits, Alexander

2011-11-01

Experiments were conducted in a zero pressure gradient flat plate boundary layer using the Princeton/ONR High Reynolds number Test Facility (HRTF). The HRTF uses highly compressed air, up to 220 atmospheres, to produce Reynolds numbers up to Reθ =225,000 . This corresponds to a δ+ =65,000 which is one of the highest Reynolds numbers ever measured in a laboratory. When using pressure to achieve high Reynolds numbers the size of the measurement probes become critical, thus the need for very small sensors is acute. The streamwise component of velocity was investigated using a nanoscale thermal anemometer (NSTAP) as well as a 200 μm pitot tube. The NSTAP has a spatial resolution as well as a temporal resolution one order of magnitude better than conventional measurement techniques. The data was compared to recent data from a high Reynolds number turbulent pipe flow and it was shown that the two flows are more similar than previous data suggests. Supported under NR Grant N00014-09-1-0263 (program manager Ron Joslin) and NSF Grant CBET-1064257(program manager Henning Winter).

Bulk YBa2Cu3O(x) superconductors through pressurized partial melt growth processing

NASA Technical Reports Server (NTRS)

Hu, S.; Hojaji, H.; Barkatt, A.; Boroomand, M.; Hung, M.; Buechele, A. C.; Thorpe, A. N.; Davis, D. D.; Alterescu, S.

1992-01-01

A novel pressurized partial melt growth process has been developed for producing large pieces of bulk Y-Ba-Cu-O superconductors. During long-time partial melt growth stage, an additional driving force for solidification is obtained by using pressurized oxygen gas. The microstructure and superconducting properties of the resulting samples were investigated. It was found that this new technique can eliminate porosity and inhomogeneity, promote large-scale grain-texturing, and improve interdomain coupling as well.

Ambient and high pressure single crystal x-ray studies of pyrope and synthetic ferric majorite

NASA Astrophysics Data System (ADS)

Smith, Henrietta Mercer

The mineral garnet is widely accepted as a major constituent of Earth's upper mantle and transition zone. As such, understanding of the state of the material at high pressures and temperatures will increase our ability to correlate seismic data with the mineralogy in these regions of Earth's interior. Studies of varied compositions of garnet at ambient conditions may enhance our understanding of solid-solution energetics, and yield predictive power concerning element partitioning among various minerals at different depths within Earth. This study began with structure refinements at ambient conditions of eighteen natural and two synthetic garnets, nominally in the pyrope-grossular-almandine ternary system. The natural, nearly-pure pyrope sample of this group was then used in developing the techniques necessary for high-pressure structure refinements. For high pressure work, a diamond anvil pressure cell (DAC) was loaded with the sample and mounted on an 18 kW rotating anode four-circle diffractometer. Unit cells and oxygen positional parameters of the pyrope sample were refined at five pressures to 9.9 GPa. The data were in agreement with those of other studies, and extended by 40% the pressure range achieved previously. The zero-pressure bulk modulus, K = 176 GPa, with Ksp' = dK/dP = 4. Following the high pressure pyrope study, synthetic samples of Fe-bearing majoritic garnet became available. These samples are of particular interest because they were grown at transition zone conditions and coexisted with a hydrous wadsleyite phase. The hydration state of earth's mantle is a topic of much current research, and samples such as these will provide information necessary to the placement of constraints on the degree of hydration actually present. The structures of five majorite samples from three different synthesis runs were refined at ambient conditions, and two of these samples were analyzed using Mossbauer spectroscopy. Fesp{3+}/SigmaFe ranged from 85-95%. One

Elastohydrodynamics of elliptical contacts for materials of low elastic modulus

NASA Technical Reports Server (NTRS)

Hamrock, B. J.; Dowson, D.

1983-01-01

The influence of the ellipticity parameter k and the dimensionless speed U, load W, and materials G parameters on minimum film thickness for materials of low elastic modulus was investigated. The ellipticity parameter was varied from 1 (a ball-on-plane configuration) to 12 (a configuration approaching a line contact); U and W were each varied by one order of magnitude. Seventeen cases were used to generate the minimum- and central-film-thickness relations. The influence of lubricant starvation on minimum film thickness in starved elliptical, elastohydrodynamic configurations was also investigated for materials of low elastic modulus. Lubricant starvation was studied simply by moving the inlet boundary closer to the center of the conjunction in the numerical solutions. Contour plots of pressure and film thickness in and around the contact were presented for both fully flooded and starved lubrication conditions. It is evident from these figures that the inlet pressure contours become less circular and closer to the edge of the Hertzian contact zone and that the film thickness decreases substantially as the serverity of starvation increases. The results presented reveal the essential features of both fully flooded and starved, elliptical, elastohydrodynamic conjunctions for materials of low elastic modulus.

Temperature and pressure correlation for volume of gas hydrates with crystal structures sI and sII

NASA Astrophysics Data System (ADS)

Vinš, Václav; Jäger, Andreas; Hielscher, Sebastian; Span, Roland; Hrubý, Jan; Breitkopf, Cornelia

The temperature and pressure correlations for the volume of gas hydrates forming crystal structures sI and sII developed in previous study [Fluid Phase Equilib. 427 (2016) 268-281], focused on the modeling of pure gas hydrates relevant in CCS (carbon capture and storage), were revised and modified for the modeling of mixed hydrates in this study. A universal reference state at temperature of 273.15 K and pressure of 1 Pa is used in the new correlation. Coefficients for the thermal expansion together with the reference lattice parameter were simultaneously correlated to both the temperature data and the pressure data for the lattice parameter. A two-stage Levenberg Marquardt algorithm was employed for the parameter optimization. The pressure dependence described in terms of the bulk modulus remained unchanged compared to the original study. A constant value for the bulk modulus B0 = 10 GPa was employed for all selected hydrate formers. The new correlation is in good agreement with the experimental data over wide temperature and pressure ranges from 0 K to 293 K and from 0 to 2000 MPa, respectively. Compared to the original correlation used for the modeling of pure gas hydrates the new correlation provides significantly better agreement with the experimental data for sI hydrates. The results of the new correlation are comparable to the results of the old correlation in case of sII hydrates. In addition, the new correlation is suitable for modeling of mixed hydrates.

Buoyancy and Pressure Effects on Bulk Metal-Oxygen Reactions

NASA Technical Reports Server (NTRS)

Abbud-Madrid, A.; McKnight, C.; Branch, M. C.; Daily, J. W.; Friedman, R. (Technical Monitor)

1998-01-01

The combustion behavior of metal-oxygen reactions if a weakly buoyant environment is studied to understand the rate-controlling mechanisms in the homogeneous and heterogeneous combustion of bulk metals. Cylindrical titanium and magnesium specimens are ignited in pure-oxygen at pressures ranging from 0.1 to 4.0 atm. Reduced gravity is obtained from an aircraft flying parabolic trajectories. A weakly buoyant environment is generated at low pressures under normal gravity and also at 1 atm under reduced gravity (0.01g). The similarity between these two experimental conditions comes from the p(exp 2)g buoyancy scale extracted from the Grashof number. Lower propagation rates of the molten interface on titanium samples are found at progressively lower pressures at 1 g. These rates are compared to theoretical results from heat conduction analyses with a diffusion/convection controlled reaction. The close agreement found between experimental and theoretical values indicate the importance values indicate the importance of natural convection enhanced oxygen transport on combustion rates. For magnesium, progressively longer burning times are experienced at lower pressures and 1 g. Under reduced gravity conditions at 1 atm, a burning time twice as long as in 1 g is exhibited. However, in this case, the validity of the p(exp 2)g buoyancy scale remains untested due to the inability to obtain steady gas-phase burning of the magnesium sample at 0.1 atm. Nevertheless, longer burning times and larger flame standoff distance at low pressures and at low gravity points to a diffusion/convection controlled reaction.

Zero end-digit preference in recorded blood pressure and its impact on classification of patients for pharmacologic management in primary care - PREDICT-CVD-6.

PubMed

Broad, Joanna; Wells, Sue; Marshall, Roger; Jackson, Rod

2007-11-01

Most blood pressure recordings end with a zero end-digit despite guidelines recommending measurement to the nearest 2 mmHg. The impact of rounding on management of cardiovascular disease (CVD) risk is unknown. To document the use of rounding to zero end-digit and assess its potential impact on eligibility for pharmacologic management of CVD risk. Cross-sectional study. A total of 23,676 patients having opportunistic CVD risk assessment in primary care practices in New Zealand. To simulate rounding in practice, for patients with systolic blood pressures recorded without a zero end-digit, a second blood pressure measure was generated by arithmetically rounding to the nearest zero end-digit. A 10-year Framingham CVD risk score was estimated using actual and rounded blood pressures. Eligibility for pharmacologic treatment was then determined using the Joint British Societies' JBS2 and the British Hypertension Society BHS-IV guidelines based on actual and rounded blood pressure values. Zero end-digits were recorded in 64% of systolic and 62% of diastolic blood pressures. When eligibility for drug treatment was based only on a Framingham 10year CVD risk threshold of 20% or more, rounding misclassified one in 41 of all those patients subject to this error. Under the two guidelines which use different combinations of CVD risk and blood pressure thresholds, one in 19 would be misclassified under JBS2 and one in 12 under the BHS-IV guidelines mostly towards increased treatment. Zero end-digit preference significantly increases a patient's likelihood of being classified as eligible for drug treatment. Guidelines that base treatment decisions primarily on absolute CVD risk are less susceptible to these errors.

Aspects of the zero Λ limit in the AdS/CFT correspondence

NASA Astrophysics Data System (ADS)

Caldeira Costa, R. N.

2014-11-01

We examine the correspondence between QFT observables and bulk solutions in the context of AdS/CFT in the limit as the cosmological constant Λ →0 . We focus specifically on the spacetime metric and a nonbackreacting scalar in the bulk, compute the one-point functions of the dual operators, and determine the necessary conditions for the correspondence to admit a well-behaved zero-Λ limit. We discuss holographic renormalization in this limit and find that it requires schemes that partially break diffeomorphism invariance of the bulk theory. In the specific case of three bulk dimensions, we compute the zero-Λ limit of the holographic Weyl anomaly and reproduce the central charge that arises in the central extension of bms3 . We compute holographically the energy and momentum of those QFT states dual to flat cosmological solutions and to the Kerr solution and find an agreement with the bulk theory. We also compute holographically the renormalized two-point function of a scalar operator in the zero-Λ limit and find it to be consistent with that of a conformal operator in two dimensions fewer. Finally, our results can be used in a new definition of asymptotic Ricci flatness at null infinity based on the zero-Λ limit of asymptotically Einstein manifolds.

The structural response of gadolinium phosphate to pressure

DOE PAGES

Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; ...

2016-06-16

In this study, accurate elastic constants for gadolinium phosphate (GdPO 4) have been measured by single-crystal high-pressure diffraction methods. The bulk modulus of GdPO 4 determined under hydrostatic conditions, 128.1(8) GPa (K'=5.8(2)), is markedly different from that obtained with GdPO 4 under non-hydrostatic conditions (160(2) GPa), which indicates the importance of shear stresses on the elastic response of this phosphate. Finally, high pressure Raman and diffraction analysis indicate that the PO 4 tetrahedra behave as rigid units in response to pressure and that contraction of the GdPO 4 structure is facilitated by bending/twisting of the Gd–O–P links that result inmore » increased distortion in the GdO 9 polyhedra.« less

Bulk Superconductivity Induced by In-Plane Chemical Pressure Effect in Eu0.5La0.5FBiS2-xSex

NASA Astrophysics Data System (ADS)

Jinno, Gen; Jha, Rajveer; Yamada, Akira; Higashinaka, Ryuji; Matsuda, Tatsuma D.; Aoki, Yuji; Nagao, Masanori; Miura, Osuke; Mizuguchi, Yoshikazu

2016-12-01

We have investigated the Se substitution effect on the superconductivity of optimally doped BiS2-based superconductor Eu0.5La0.5FBiS2. Eu0.5La0.5FBiS2-xSex samples with x = 0-1 were synthesized. With increasing x, in-plane chemical pressure is enhanced. For x ≥ 0.6, superconducting transitions with a large shielding volume fraction are observed in magnetic susceptibility measurements, and the highest Tc is 3.8 K for x = 0.8. From low-temperature electrical resistivity measurements, a zero-resistivity state is observed for all the samples, and the highest Tc is observed for x = 0.8. With increasing Se concentration, the characteristic electrical resistivity changes from semiconducting-like to metallic, suggesting that the emergence of bulk superconductivity is linked with the enhanced metallicity. A superconductivity phase diagram of the Eu0.5La0.5FBiS2-xSex superconductor is established.

Pressure-induced stiffness of Au nanoparticles to 71 GPa under quasi-hydrostatic loading

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, Xinguo; Duffy, Thomas S.; Ehm, Lars

2015-11-16

The compressibility of nanocrystalline gold (n-Au, 20 nm) has been studied by x-ray total scattering using high-energy monochromatic x-rays in the diamond anvil cell under quasi-hydrostatic conditions up to 71 GPa. The bulk modulus, K 0, of the n-Au obtained from fitting to a Vinet equation of state is ~196(3) GPa, which is about 17% higher than for the corresponding bulk materials (K 0: 167 GPa). At low pressures (<7 GPa), the compression behavior of n-Au shows little difference from that of bulk Au. With increasing pressure, the compressive behavior of n-Au gradually deviates from the equation of state (EOS)more » of bulk gold. Analysis of the pair distribution function, peak broadening and Rietveld refinement reveals that the microstructure of n-Au is nearly a single-grain/domain at ambient conditions, but undergoes substantial pressure-induced reduction in grain size until 10 GPa. The results indicate that the nature of the internal microstructure in n-Au is associated with the observed EOS difference from bulk Au at high pressure. Full-pattern analysis confirms that significant changes in grain size, stacking faults, grain orientation and texture occur in n-Au at high pressure. We have observed direct experimental evidence of a transition in compressional mechanism for n-Au at ~20 GPa, i.e. from a deformation dominated by nucleation and motion of lattice dislocations (dislocation-mediated) to a prominent grain boundary mediated response to external pressure. In conclusion, the internal microstructure inside the nanoparticle (nanocrystallinity) plays a critical role for the macro-mechanical properties of nano-Au.« less

Pressure-induced stiffness of Au nanoparticles to 71 GPa under quasi-hydrostatic loading.

PubMed

Hong, Xinguo; Duffy, Thomas S; Ehm, Lars; Weidner, Donald J

2015-12-09

The compressibility of nanocrystalline gold (n-Au, 20 nm) has been studied by x-ray total scattering using high-energy monochromatic x-rays in the diamond anvil cell under quasi-hydrostatic conditions up to 71 GPa. The bulk modulus, K0, of the n-Au obtained from fitting to a Vinet equation of state is ~196(3) GPa, which is about 17% higher than for the corresponding bulk materials (K0: 167 GPa). At low pressures (<7 GPa), the compression behavior of n-Au shows little difference from that of bulk Au. With increasing pressure, the compressive behavior of n-Au gradually deviates from the equation of state (EOS) of bulk gold. Analysis of the pair distribution function, peak broadening and Rietveld refinement reveals that the microstructure of n-Au is nearly a single-grain/domain at ambient conditions, but undergoes substantial pressure-induced reduction in grain size until 10 GPa. The results indicate that the nature of the internal microstructure in n-Au is associated with the observed EOS difference from bulk Au at high pressure. Full-pattern analysis confirms that significant changes in grain size, stacking faults, grain orientation and texture occur in n-Au at high pressure. We have observed direct experimental evidence of a transition in compressional mechanism for n-Au at ~20 GPa, i.e. from a deformation dominated by nucleation and motion of lattice dislocations (dislocation-mediated) to a prominent grain boundary mediated response to external pressure. The internal microstructure inside the nanoparticle (nanocrystallinity) plays a critical role for the macro-mechanical properties of nano-Au.

Structural and vibrational properties of solid nitromethane under high pressure by density functional theory.

PubMed

Liu, Hong; Zhao, Jijun; Wei, Dongqing; Gong, Zizheng

2006-03-28

The structural, vibrational, and electronic properties of solid nitromethane under hydrostatic pressure of up to 20 GPa have been studied using density functional theory. The changes of cell volume, the lattice constants, and the molecular geometry of solid nitromethane under hydrostatic loading are examined, and the bulk modulus B0 and its pressure derivative B0' are fitted from the volume-pressure relation. Our theoretical results are compared with available experiments. The change of electron band gap of nitromethane under high pressure is also discussed. Based on the optimized crystal structures, the vibrational frequencies for the internal and lattice modes of the nitromethane crystal at ambient and high pressures are computed, and the pressure-induced frequency shifts of these modes are discussed.

Characteristics of turbulence in boundary layer with zero pressure gradient

NASA Technical Reports Server (NTRS)

Klebanoff, P S

1955-01-01

The results of an experimental investigation of a turbulent boundary layer with zero pressure gradient are presented. Measurements with the hot-wire anemometer were made of turbulent energy and turbulent shear stress, probability density and flattening factor of u-fluctuation (fluctuation in x-direction), spectra of turbulent energy and shear stress, and turbulent dissipation. The importance of the region near the wall and the inadequacy of the concept of local isotropy are demonstrated. Attention is given to the energy balance and the intermittent character of the outer region of the boundary layer. Also several interesting features of the spectral distribution of the turbulent motions are discussed.

Metastable Ar(1 s5) density dependence on pressure and argon-helium mixture in a high pressure radio frequency dielectric barrier discharge

NASA Astrophysics Data System (ADS)

Emmons, D. J.; Weeks, D. E.; Eshel, B.; Perram, G. P.

2018-01-01

Simulations of an α-mode radio frequency dielectric barrier discharge are performed for varying mixtures of argon and helium at pressures ranging from 200 to 500 Torr using both zero and one-dimensional models. Metastable densities are analyzed as a function of argon-helium mixture and pressure to determine the optimal conditions, maximizing metastable density for use in an optically pumped rare gas laser. Argon fractions corresponding to the peak metastable densities are found to be pressure dependent, shifting from approximately 15% Ar in He at 200 Torr to 10% at 500 Torr. A decrease in metastable density is observed as pressure is increased due to a diminution in the reduced electric field and a quadratic increase in metastable loss rates through A r2* formation. A zero-dimensional effective direct current model of the dielectric barrier discharge is implemented, showing agreement with the trends predicted by the one-dimensional fluid model in the bulk plasma.

Optical and electronic properties of 2 H -Mo S2 under pressure: Revealing the spin-polarized nature of bulk electronic bands

NASA Astrophysics Data System (ADS)

Brotons-Gisbert, Mauro; Segura, Alfredo; Robles, Roberto; Canadell, Enric; Ordejón, Pablo; Sánchez-Royo, Juan F.

2018-05-01

Monolayers of transition-metal dichalcogenide semiconductors present spin-valley locked electronic bands, a property with applications in valleytronics and spintronics that is usually believed to be absent in their centrosymmetric (as the bilayer or bulk) counterparts. Here we show that bulk 2 H -Mo S2 hides a spin-polarized nature of states determining its direct band gap, with the spin sequence of valence and conduction bands expected for its single layer. This relevant finding is attained by investigating the behavior of the binding energy of A and B excitons under high pressure, by means of absorption measurements and density-functional-theory calculations. These results raise an unusual situation in which bright and dark exciton degeneracy is naturally broken in a centrosymmetric material. Additionally, the phonon-assisted scattering process of excitons has been studied by analyzing the pressure dependence of the linewidth of discrete excitons observed at the absorption coefficient edge of 2 H -Mo S2 . Also, the pressure dependence of the indirect optical transitions of bulk 2 H -Mo S2 has been analyzed by absorption measurements and density-functional-theory calculations. These results reflect a progressive closure of the indirect band gap as pressure increases, indicating that metallization of bulk Mo S2 may occur at pressures higher than 26 GPa.

Excited helium under high pressures in the bulk and in nanobubbles

NASA Astrophysics Data System (ADS)

Pyper, N. C.; Naginey, T. C.; Nellist, P. D.; Whelan, Colm T.

2017-08-01

We systematically investigate the effects of intense pressures on the excitation energies of helium trapped in bubbles in order to deepen our understanding of the fundamental physics of atoms in extreme conditions. The ? excitation energy of a confined helium atom is known to differ from that of a free atom being greater in both the bulk liquid or solid or a bubble confined in a metallic matrix state. We compare calculations for the energy shift with both laboratory experiments for bulk systems and results derived from scanning transmission electron microscope (STEM) studies of helium nanobubbles embedded in different matrices. We find excellent agreement between our calculations and the latest extensive measurements in the bulk. However, we find significant discrepancies when we compare with results deduced using the 'standard' approach for analysing STEM data. Here, we show the scattering matrix element determining the intensity of this excitation in a STEM experiment is significantly affected by the same environmental factors that shift the excitation energy. Consequently, there is a serious theoretical inconsistency in the way the STEM results are calculated, in that the 'standard' approach depends on a supposedly known ? scattering cross section, whereas we show here that this cross section is itself dependent on the environment. Correcting for this inconsistency does not, in itself, improve agreement.

Dynamic bulk and shear moduli due to grain-scale local fluid flow in fluid-saturated cracked poroelastic rocks: Theoretical model

NASA Astrophysics Data System (ADS)

Song, Yongjia; Hu, Hengshan; Rudnicki, John W.

2016-07-01

Grain-scale local fluid flow is an important loss mechanism for attenuating waves in cracked fluid-saturated poroelastic rocks. In this study, a dynamic elastic modulus model is developed to quantify local flow effect on wave attenuation and velocity dispersion in porous isotropic rocks. The Eshelby transform technique, inclusion-based effective medium model (the Mori-Tanaka scheme), fluid dynamics and mass conservation principle are combined to analyze pore-fluid pressure relaxation and its influences on overall elastic properties. The derivation gives fully analytic, frequency-dependent effective bulk and shear moduli of a fluid-saturated porous rock. It is shown that the derived bulk and shear moduli rigorously satisfy the Biot-Gassmann relationship of poroelasticity in the low-frequency limit, while they are consistent with isolated-pore effective medium theory in the high-frequency limit. In particular, a simplified model is proposed to quantify the squirt-flow dispersion for frequencies lower than stiff-pore relaxation frequency. The main advantage of the proposed model over previous models is its ability to predict the dispersion due to squirt flow between pores and cracks with distributed aspect ratio instead of flow in a simply conceptual double-porosity structure. Independent input parameters include pore aspect ratio distribution, fluid bulk modulus and viscosity, and bulk and shear moduli of the solid grain. Physical assumptions made in this model include (1) pores are inter-connected and (2) crack thickness is smaller than the viscous skin depth. This study is restricted to linear elastic, well-consolidated granular rocks.

Concentration Dependent Physical Properties of Ge1-xSnx Solid Solution

NASA Astrophysics Data System (ADS)

Jivani, A. R.; Jani, A. R.

2011-12-01

Our own proposed potential is used to investigate few physical properties like total energy, bulk modulus, pressure derivative of bulk modulus, elastic constants, pressure derivative of elastic constants, Poisson's ratio and Young's modulus of Ge1-xSnx solid solution with x is atomic concentration of α-Sn. The potential combines linear plus quadratic types of electron-ion interaction. First time screening function proposed by Sarkar et al is used to investigate the properties of the Ge-Sn solid solution system.

Abnormal elastic modulus behavior in a crystalline-amorphous core-shell nanowire system.

PubMed

Lee, Jeong Hwan; Choi, Su Ji; Kwon, Ji Hwan; Van Lam, Do; Lee, Seung Mo; Kim, An Soon; Baik, Hion Suck; Ahn, Sang Jung; Hong, Seong Gu; Yun, Yong Ju; Kim, Young Heon

2018-06-13

We investigated the elastic modulus behavior of crystalline InAs/amorphous Al2O3 core-shell heterostructured nanowires with shell thicknesses varying between 10 and 90 nm by conducting in situ tensile tests inside a transmission electron microscope (TEM). Counterintuitively, the elastic modulus behaviors of InAs/Al2O3 core-shell nanowires differ greatly from those of bulk-scale composite materials, free from size effects. According to our results, the elastic modulus of InAs/Al2O3 core-shell nanowires increases, peaking at a shell thickness of 40 nm, and then decreases in the range of 50-90 nm. This abnormal behavior is attributed to the continuous decrease in the elastic modulus of the Al2O3 shell as the thickness increases, which is caused by changes in the atomic/electronic structure during the atomic layer deposition process and the relaxation of residual stress/strain in the shell transferred from the interfacial mismatch between the core and shell materials. A novel method for estimating the elastic modulus of the shell in a heterostructured core-shell system was suggested by considering these two effects, and the predictions from the suggested method coincided well with the experimental results. We also found that the former and latter effects account for 89% and 11% of the change in the elastic modulus of the shell. This study provides new insight by showing that the size dependency, which is caused by the inhomogeneity of the atomic/electronic structure and the residual stress/strain, must be considered to evaluate the mechanical properties of heterostructured nanowires.

Viscoelastic optical nonlocality of low-loss epsilon-near-zero nanofilms.

PubMed

de Ceglia, Domenico; Scalora, Michael; Vincenti, Maria A; Campione, Salvatore; Kelley, Kyle; Runnerstrom, Evan L; Maria, Jon-Paul; Keeler, Gordon A; Luk, Ting S

2018-06-19

Optical nonlocalities are elusive and hardly observable in traditional plasmonic materials like noble and alkali metals. Here we report experimental observation of viscoelastic nonlocalities in the infrared optical response of epsilon-near-zero nanofilms made of low-loss doped cadmium-oxide. The nonlocality is detectable thanks to the low damping rate of conduction electrons and the virtual absence of interband transitions at infrared wavelengths. We describe the motion of conduction electrons using a hydrodynamic model for a viscoelastic fluid, and find excellent agreement with experimental results. The electrons' elasticity blue-shifts the infrared plasmonic resonance associated with the main epsilon-near-zero mode, and triggers the onset of higher-order resonances due to the excitation of electron-pressure modes above the bulk plasma frequency. We also provide evidence of the existence of nonlocal damping, i.e., viscosity, in the motion of optically-excited conduction electrons using a combination of spectroscopic ellipsometry data and predictions based on the viscoelastic hydrodynamic model.

Modeling of zero gravity venting: Studies of two-phase heat transfer under reduced gravity

NASA Technical Reports Server (NTRS)

Merte, H., Jr.

1986-01-01

The objective is to predict the pressure response of a saturated liquid-vapor system when undergoing a venting or depressurization process in zero gravity at low vent rates. An experimental investigation of the venting of cylindrical containers partially filled with initially saturated liquids was previously conducted under zero-gravity conditions and compared with an analytical model which incorporated the effect of interfacial mass transfer on the ullage pressure response during venting. A new model is presented to improve the estimation of the interfacial mass transfer. Duhammel's superposition integral is incorporated to approximate the transient temperature response of the interface, treating the liquid as a semi-infinite solid with conduction heat transfer. Account is also taken of the condensation taking place within the bulk of a saturated vapor as isentropic expansion takes place. Computational results are presented for the venting of R-11 from a given vessel and initial state for five different venting rates over a period of three seconds, and compared to prior NASA experiments. An improvement in the prediction of the final pressure takes place, but is still considerably below the measurements.

Biocompatible Zr-Al-Fe bulk metallic glasses with large plasticity

NASA Astrophysics Data System (ADS)

Hua, NengBin; Li, Ran; Wang, JianFeng; Zhang, Tao

2012-09-01

In the present study, high-zirconium ternary Zr-Al-Fe bulk metallic glasses (BMGs) with low Young's modulus and good plasticity were developed. Zr75Al7.5Fe17.5 BMG exhibits a low Young's modulus of 70 GPa and high Poisson's ratio of 0.403. Pronounced plasticity was demonstrated under both compression and bending conditions for the BMGs. Furthermore, the alloys show high corrosion resistance in phosphate buffered solution. The combination of desirable mechanical and chemical properties implies potential for biomedical applications.

TOPICAL REVIEW: Experimental study of organic zero-gap conductor α-(BEDT-TTF)2I3

NASA Astrophysics Data System (ADS)

Tajima, Naoya; Kajita, Koji

2009-04-01

A zero-gap state with a Dirac cone type energy dispersion was discovered in the organic conductor α-(BEDT-TTF)2I3 under high hydrostatic pressures. This is the first two-dimensional (2D) zero-gap state discovered in bulk crystals with a layered structure. In contrast to the case of graphene, the Dirac cone in this system is highly anisotropic. The present system, therefore, provides a new type of massless Dirac fermion system with anisotropic Fermi velocity. This system exhibits remarkable transport phenomena characteristic to electrons on the Dirac cone type energy structure. The carrier density, written as n~T2, is a characteristic feature of the 2D zero-gap structure. On the other hand, the resistivity per layer (sheet resistance RS) is given as RS=h/e2 and is independent of temperature. The effect of a magnetic field on samples in the zero-gap system was examined. The difference between zero-gap conductors and conventional conductors is the appearance of a Landau level called the zero mode at the contact points when a magnetic field is applied normal to the conductive layer. Zero-mode Landau carriers give rise to strong negative out-of-plane magnetoresistance.

Pressure-induced topological phase transitions and strongly anisotropic magnetoresistance in bulk black phosphorus

NASA Astrophysics Data System (ADS)

Li, Chun-Hong; Long, Yu-Jia; Zhao, Ling-Xiao; Shan, Lei; Ren, Zhi-An; Zhao, Jian-Zhou; Weng, Hong-Ming; Dai, Xi; Fang, Zhong; Ren, Cong; Chen, Gen-Fu

2017-03-01

We report the anisotropic magnetotransport measurement on a noncompound band semiconductor black phosphorus (BP) with magnetic field B up to 16 Tesla applied in both perpendicular and parallel to electric current I under hydrostatic pressures. The BP undergoes a topological Lifshitz transition from band semiconductor to a zero-gap Dirac semimetal state at a critical pressure Pc, characterized by a weak localization-weak antilocalization transition at low magnetic fields and the emergence of a nontrivial Berry phase of π detected by SdH magneto-oscillations in magnetoresistance curves. In the transition region, we observe a pressure-dependent negative MR only in the B ∥I configuration. This negative longitudinal MR is attributed to the Adler-Bell-Jackiw anomaly (topological E .B term) in the presence of weak antilocalization corrections.

Pressure-induced structural modifications of rare-earth hafnate pyrochlore

NASA Astrophysics Data System (ADS)

Turner, Katlyn M.; Rittman, Dylan R.; Heymach, Rachel A.; Tracy, Cameron L.; Turner, Madison L.; Fuentes, Antonio F.; Mao, Wendy L.; Ewing, Rodney C.

2017-06-01

Complex oxides with the pyrochlore (A2B2O7) and defect-fluorite ((A,B)4O7) structure-types undergo structural transformations under high-pressure. Rare-earth hafnates (A2Hf2O7) form the pyrochlore structure for A  =  La-Tb and the defect-fluorite structure for A  =  Dy-Lu. High-pressure transformations in A2Hf2O7 pyrochlore (A  =  Sm, Eu, Gd) and defect-fluorite (A  =  Dy, Y, Yb) were investigated up to ~50 GPa and characterized by in situ Raman spectroscopy and synchrotron x-ray diffraction (XRD). Raman spectra at ambient pressure revealed that all compositions, including the defect-fluorites, have some pyrochlore-type short-range order. In situ high-pressure synchrotron XRD showed that all of the rare earth hafnates investigated undergo a pressure-induced phase transition to a cotunnite-like (orthorhombic) structure that begins between 18 and 25 GPa. The phase transition to the cotunnite-like structure is not complete at 50 GPa, and upon release of pressure, the hafnates transform to defect-fluorite with an amorphous component. For all compositions, in situ Raman spectroscopy showed that disordering occurs gradually with increasing pressure. Pyrochlore-structured hafnates retain their short-range order to a higher pressure (30 GPa vs.  <10 GPa) than defect-fluorite-structured hafnates. Rare earth hafnates quenched from 50 GPa show Raman spectra consistent with weberite-type structures, as also reported for irradiated rare-earth stannates. The second-order Birch-Murnaghan equation of state fit gives a bulk modulus of ~250 GPa for hafnates with the pyrochlore structure, and ~400 GPa for hafnates with the defect-fluorite structure. Dy2Hf2O7 is intermediate in its response, with some pyrochlore-type ordering, based on Raman spectroscopy and the equation of state, with a bulk modulus of ~300 GPa. As predicted based on the similar ionic radius of Zr4+ and Hf4+, rare-earth hafnates show similar behavior to that

Pressure-induced structural modifications of rare-earth hafnate pyrochlore.

PubMed

Turner, Katlyn M; Rittman, Dylan R; Heymach, Rachel A; Tracy, Cameron L; Turner, Madison L; Fuentes, Antonio F; Mao, Wendy L; Ewing, Rodney C

2017-06-28

Complex oxides with the pyrochlore (A 2 B 2 O 7 ) and defect-fluorite ((A,B) 4 O 7 ) structure-types undergo structural transformations under high-pressure. Rare-earth hafnates (A 2 Hf 2 O 7 ) form the pyrochlore structure for A  =  La-Tb and the defect-fluorite structure for A  =  Dy-Lu. High-pressure transformations in A 2 Hf 2 O 7 pyrochlore (A  =  Sm, Eu, Gd) and defect-fluorite (A  =  Dy, Y, Yb) were investigated up to ~50 GPa and characterized by in situ Raman spectroscopy and synchrotron x-ray diffraction (XRD). Raman spectra at ambient pressure revealed that all compositions, including the defect-fluorites, have some pyrochlore-type short-range order. In situ high-pressure synchrotron XRD showed that all of the rare earth hafnates investigated undergo a pressure-induced phase transition to a cotunnite-like (orthorhombic) structure that begins between 18 and 25 GPa. The phase transition to the cotunnite-like structure is not complete at 50 GPa, and upon release of pressure, the hafnates transform to defect-fluorite with an amorphous component. For all compositions, in situ Raman spectroscopy showed that disordering occurs gradually with increasing pressure. Pyrochlore-structured hafnates retain their short-range order to a higher pressure (30 GPa vs.  <10 GPa) than defect-fluorite-structured hafnates. Rare earth hafnates quenched from 50 GPa show Raman spectra consistent with weberite-type structures, as also reported for irradiated rare-earth stannates. The second-order Birch-Murnaghan equation of state fit gives a bulk modulus of ~250 GPa for hafnates with the pyrochlore structure, and ~400 GPa for hafnates with the defect-fluorite structure. Dy 2 Hf 2 O 7 is intermediate in its response, with some pyrochlore-type ordering, based on Raman spectroscopy and the equation of state, with a bulk modulus of ~300 GPa. As predicted based on the similar ionic radius of Zr 4+ and Hf 4+ , rare-earth hafnates show

Pressure dependence of zero-field splittings in organic triplets. II. Carbonyls

NASA Astrophysics Data System (ADS)

Chan, I. Y.; Qian, X. Q.

1990-01-01

We have conducted optically detected magnetic resonance (ODMR) experiments at pressure up to 40 kbar for neat biactyl (BA), neat benzil (BZ), and acetophenone (AP) doped in dibromobenzene (DBB). The pressure dependences of their zero-field splitting (ZFS) parameters D and E are reported. For BA and BZ systems, the ‖D‖ value decreases greatly with increasing pressure. This behavior is in contrast with that of benzophenone (BP), whose ‖D‖ value increases sigmoidally 13% over the same pressure range. These results may be rationalized in a qualitative theory based on pressure modulation of the spin-orbit coupling (SOC) contribution to the ZFS. ln aromatic ketones, lattice compression modifies the twist angle of the phenyl ring(s) relative to the carbonyl frame, thus changing the energy of the 3ππ* state relative to that of the 3nπ* state. This variation of the energy denominator in a second order perturbation enhances the SOC contribution to the ZFS. In comparison, the increase of spin-spin (SS) dipolar interaction by isotropic compression is relatively unimportant. Consistent with this picture, the very small 3ππ*-3nπ* energy gap produces an enormous pressure sensitivity of D and E in AP/DBB. The behavior of the ZFS in this case may be interpreted as a consequence of pressure tuning of the 3ππ* state through an anticrossing region. In addition, a new set of high frequency ODMR signals appears under pressure. This is attributed to a new site of AP having the 3nπ* as the phosphorescent triplet state. The pressure dependence of ZFS for benzil shows complicated fine structure. This is a testimony to the flexible nature of benzil in both the dihedral angle of the dicarbonyl fragment and the phenyl twist angle.

BOILING HEAT TRANSFER IN ZERO GRAVITY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zara, E.A.

1964-01-01

The preliminary results of a research program to determine the effects of zero and near zero gravity on boiling heat transfer are presented. Zero gravity conditions were obtained on the ASD KC-135 zero gravity test aircraft, capable of providing 30-seconds of zero gravity. Results of the program to date indicate that nucleate (bubble) boiling heat transfer rates are not greatly affected by the absence of gravity forces. However, radical pressure increases were observed that will dictate special design considerations to space vehicle systems utilizing pool boiling processes, such as cryogenic or other fluid storage vessels where thermal input to themore » fluid is used for vessel pressurization. (auth)« less

Insufficiency of the Young's modulus for illustrating the mechanical behavior of GaN nanowires.

PubMed

Kouhpanji, Mohammad Reza Zamani; Behzadirad, Mahmoud; Feezell, Daniel; Busani, Tito

2018-05-18

We use a non-classical modified couple stress theory including the acceleration gradients (MCST-AG), to precisely demonstrate the size dependency of the mechanical properties of gallium nitride (GaN) nanowires (NWs). The fundamental elastic constants, Young's modulus and length scales of the GaN NWs were estimated both experimentally, using a novel experimental technique applied to atomic force microscopy, and theoretically, using atomic simulations. The Young's modulus, static and the dynamic length scales, calculated with the MCST-AG, were found to be 323 GPa, 13 and 14.5 nm, respectively, for GaN NWs from a few nanometers radii to bulk radii. Analyzing the experimental data using the classical continuum theory shows an improvement in the experimental results by introducing smaller error. Using the length scales determined in MCST-AG, we explain the inconsistency of the Young's moduli reported in recent literature, and we prove the insufficiency of the Young's modulus for predicting the mechanical behavior of GaN NWs.

Zero end-digit preference in recorded blood pressure and its impact on classification of patients for pharmacologic management in primary care — PREDICT-CVD–6

PubMed Central

Broad, Joanna; Wells, Sue; Marshall, Roger; Jackson, Rod

2007-01-01

Background Most blood pressure recordings end with a zero end-digit despite guidelines recommending measurement to the nearest 2 mmHg. The impact of rounding on management of cardiovascular disease (CVD) risk is unknown. Aim To document the use of rounding to zero end-digit and assess its potential impact on eligibility for pharmacologic management of CVD risk. Design of study Cross-sectional study. Setting A total of 23 676 patients having opportunistic CVD risk assessment in primary care practices in New Zealand. Method To simulate rounding in practice, for patients with systolic blood pressures recorded without a zero end-digit, a second blood pressure measure was generated by arithmetically rounding to the nearest zero end-digit. A 10-year Framingham CVD risk score was estimated using actual and rounded blood pressures. Eligibility for pharmacologic treatment was then determined using the Joint British Societies' JBS2 and the British Hypertension Society BHS–IV guidelines based on actual and rounded blood pressure values. Results Zero end-digits were recorded in 64% of systolic and 62% of diastolic blood pressures. When eligibility for drug treatment was based only on a Framingham 10-year CVD risk threshold of 20% or more, rounding misclassified one in 41 of all those patients subject to this error. Under the two guidelines which use different combinations of CVD risk and blood pressure thresholds, one in 19 would be misclassified under JBS2 and one in 12 under the BHS–IV guidelines mostly towards increased treatment. Conclusion Zero end-digit preference significantly increases a patient's likelihood of being classified as eligible for drug treatment. Guidelines that base treatment decisions primarily on absolute CVD risk are less susceptible to these errors. PMID:17976291

DOE Office of Scientific and Technical Information (OSTI.GOV)

Winterrose, M.; Lucas, M; Yue, A

Synchrotron x-ray diffraction (XRD) measurements, nuclear forward scattering (NFS) measurements, and density functional theory (DFT) calculations were performed on L12-ordered Pd3Fe. Measurements were performed at 300 K at pressures up to 33 GPa, and at 7 GPa at temperatures up to 650 K. The NFS revealed a collapse of the 57Fe magnetic moment between 8.9 and 12.3 GPa at 300 K, coinciding with a transition in bulk modulus found by XRD. Heating the sample under a pressure of 7 GPa showed negligible thermal expansion from 300 to 523 K, demonstrating Invar behavior. Zero-temperature DFT calculations identified a ferromagnetic ground statemore » and showed several antiferromagnetic states had comparable energies at pressures above 20 GPa.« less

Static compression of Ca(OH)2 at room temperature - Observations of amorphization and equation of state measurements to 10.7 GPa

NASA Technical Reports Server (NTRS)

Meade, Charles; Jeanloz, Raymond

1990-01-01

X-ray diffraction measurements are reported for Ca(OH)2 portlandite as it is compressed to 37.6 GPa in the diamond cell at room temperature. Between 10.7 and 15.4 GPa crystalline Ca(OH)2 transforms to a glass, and on decompression the glass recrystallizes between 3.6 and 5.1 GPa. Below pressures of 10.7 GPa the elastic compression of crystalline Ca(OH)2 was measured. A finite strain analysis of these data shows that the isothermal bulk modulus and its pressure derivative are 37.8 + or - 1.8 GPa and 5.2 + or - 0.7 at zero pressure. The change in the unit cell dimensions indicates that the linear incompressibilities of Ca(OH)2 differ by a factor of three.

First-principles calculations for elastic properties of OsB 2 under pressure

NASA Astrophysics Data System (ADS)

Yang, Jun-Wei; Chen, Xiang-Rong; Luo, Fen; Ji, Guang-Fu

2009-11-01

The structure, elastic properties and elastic anisotropy of orthorhombic OsB 2 are investigated by density functional theory method with the ultrasoft pseudopotential scheme in the frame of the generalized gradient approximation (GGA) as well as local density approximation (LDA). The obtained structural parameters, elastic constants, elastic anisotropy and Debye temperature for OsB 2 under pressure are consistent with the available experimental data and other theoretical results. It is found that the elastic constants, bulk modulus and Debye temperature of OsB 2 tend to increase with increasing pressure. It is predicted that OsB 2 is not a superhard material from our calculations.

Zr-based bulk metallic glass as a cylinder material for high pressure apparatuses

DOE PAGES

Komatsu, Kazuki; Munakata, Koji; Matsubayashi, Kazuyuki; ...

2015-05-12

Zirconium-based bulk metallic glass (Zr-based BMG) has outstanding properties as a cylinder mate- rial for piston-cylinder high pressure apparatuses and is especially useful for neutron scattering. The piston-cylinder consisting of a Zr-based BMG cylinder with outer/inner diameters of 8.8/2.5 mm sustains pressures up to 1.81 GPa and ruptured at 2.0 GPa, with pressure values determined by the superconduct- ing temperature of lead. The neutron attenuation of Zr-based BMG is similar to that of TiZr null-scattering alloy and more transparent than that of CuBe alloy. No contamination of sharp Bragg reflections is observed in the neutron diffraction pattern for Zr-based BMG.more » The magnetic susceptibility of Zr-based BMG is similar to that of CuBe alloy; this leads to a potential application for measurements of magnetic properties under pressure.« less

Hydromechanics in dentine: role of dentinal tubules and hydrostatic pressure on mechanical stress-strain distribution.

PubMed

Kishen, A; Vedantam, S

2007-10-01

This investigation is to understand the role of free water in the dentinal tubules on the mechanical integrity of bulk dentine. Three different experiments were conducted in this study. In experiment 1, three-dimensional models of dentine with gradient elastic modulus, homogenous elastic modulus, and with and without hydrostatic pressure were simulated using the finite element method. Static compressive loads of 15, 50 and 100 N were applied and the distribution of the principal stresses, von Mises stresses, and strains in loading direction were determined. In experiment 2, experimental compression testing of fully hydrated and partially dehydrated dentine (21 degrees C for 72 h) was conducted using a Universal testing machine. In experiment 3, Fourier transform infrared spectroscopic analysis of hydrated and partially dehydrated dentine was carried out. The finite element analysis revealed that the dentine model with simulated hydrostatic pressure displayed residual tensile stresses and strains in the inner region adjacent to the root canal. When external compressive loads were applied to the model, the residual stresses and strains counteracted the applied loads. Similarly the hydrated specimens subjected to experimental compression loads showed greater toughness when compared to the partially dehydrated specimens. The stress at fracture was significantly higher in partially dehydrated specimens (p=0.014), while the strain at fracture was significantly higher in hydrated dentine specimens (p=0.037). These experiments highlighted the distinct role of free water in the dentinal tubules and hydrostatic pressure on the stress-strain distribution within the bulk dentine.

Measurements of unjacketed moduli of porous rock

NASA Astrophysics Data System (ADS)

Tarokh, A.; Makhnenko, R. Y.; Labuz, J.

2017-12-01

Coupling of stress and pore pressure appears in a number of applications dealing with subsurface (sedimentary) rock, including petroleum exploration and waste storage. Poroelastic analyses consider the compressibility of the solid constituents forming the rock, and often times solid bulk modulus Ks is assumed to be the same as the dominant mineral bulk modulus. In fact, there are two different parameters describing solid compressibility of a porous rock: the unjacketed bulk modulus Ks' and the unjacketed pore modulus Ks". Experimental techniques are developed to measure the two poroelastic parameters of fluid-saturated porous rock under the unjacketed condition. In an unjacketed experiment, the rock without a membrane is loaded by the fluid in a pressure vessel. The confining fluid permeates the connected pore space throughout the interior of the rock. Therefore, changes in mean stress P will produce equal changes in pore pressure p, i.e. ΔP = Δp. The test can also be performed with a jacketed rock specimen by applying equal increments of mean stress and pore pressure. The unjacketed bulk modulus, Ks', is obtained by measuring the bulk strain with resistive strain gages. The unjacketed pore modulus, Ks", the pore volume counterpart to Ks', is a measure of the change in pore pressure per unit pore volume strain under the unjacketed condition. Several indirect estimates of Ks" have been reported but limitations of these approaches do not provide an accurate value. We present direct measurements of Ks" with detailed calibration on the system volumetric response. The results indicate that for Dunnville sandstone Ks' and Ks" are equal while for Berea sandstone, a difference between the two moduli exists, which is explained by the presence of non-connected pores. The experiments also strongly suggest that both Ks' and Ks" are independent of effective stress.

Thermal equation-of-state of TiC: a synchrotron x-ray diffraction study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Xiaohui; Lin, Zhijun; Zhang, Jianzhong

2009-01-01

The pressure (P)-volume (V)-temperature (T) measurements were carried out for titanium carbide at pressures and temperatures up to 8.1 GPa and 1273 K using energy-dispersive synchrotron x-ray diffraction. Thermoelastic parameters were derived for TiC based on a modified high-temperature Birch-Murnaghan equation of state and a thermal-pressure approach. With the pressure derivative of the bulk modulus, K'{sub 0}, fixed at 4.0, we obtain: the ambient bulk modulus K{sub 0} = 268(6) GPa, temperature derivative of bulk modulus at constant pressure ({partial_derivative}K{sub T}/{partial_derivative}T){sub p} = -0.026(9) GPa K{sup -1}, volumetric thermal expansivity a{sub T}(K{sup -1}) = a + bT with a =more » 1.62(12) x 10{sup -5} K{sup -1} and b = 1.07(17) x 10{sup -8} K{sup -2}, pressure derivative of thermal expansion ({partial_derivative}a/{partial_derivative}P){sub T} = (-3.62 {+-} 1.14) x 10{sup -7} GPa{sup -1} K{sup -1}, and temperature derivative of bulk modulus at constant volume ({partial_derivative}K{sub T}/{partial_derivative}T){sub v} = -0.015 (8) GPa K{sup -1}. These results provide fundamental thermo physical properties for TiC and are important to theoretical and computational modeling of transition metal carbides.« less

Insufficiency of the Young’s modulus for illustrating the mechanical behavior of GaN nanowires

NASA Astrophysics Data System (ADS)

Zamani Kouhpanji, Mohammad Reza; Behzadirad, Mahmoud; Feezell, Daniel; Busani, Tito

2018-05-01

We use a non-classical modified couple stress theory including the acceleration gradients (MCST-AG), to precisely demonstrate the size dependency of the mechanical properties of gallium nitride (GaN) nanowires (NWs). The fundamental elastic constants, Young’s modulus and length scales of the GaN NWs were estimated both experimentally, using a novel experimental technique applied to atomic force microscopy, and theoretically, using atomic simulations. The Young’s modulus, static and the dynamic length scales, calculated with the MCST-AG, were found to be 323 GPa, 13 and 14.5 nm, respectively, for GaN NWs from a few nanometers radii to bulk radii. Analyzing the experimental data using the classical continuum theory shows an improvement in the experimental results by introducing smaller error. Using the length scales determined in MCST-AG, we explain the inconsistency of the Young’s moduli reported in recent literature, and we prove the insufficiency of the Young’s modulus for predicting the mechanical behavior of GaN NWs.

Determination of elastic modulus and residual stress of plasma-sprayed tungsten coating on steel substrate

NASA Astrophysics Data System (ADS)

You, J. H.; Höschen, T.; Lindig, S.

2006-01-01

Plasma-sprayed tungsten, which is a candidate material for the first wall armour, shows a porous, heterogeneous microstructure. Due to its characteristic morphology, the properties are significantly different from those of its dense bulk material. Measurements of the elastic modulus of this coating have not been reported in the literature. In this work Young's modulus of highly porous plasma-sprayed tungsten coatings deposited on steel (F82H) substrates was measured. For the fabrication of the coating system the vacuum plasma-spray process was applied. Measurements were performed by means of three-point and four-point bending tests. The obtained modulus values ranged from 53 to 57 GPa. These values could be confirmed by the test result of a detached coating strip, which was 54 GPa. The applied methods produced consistent results regardless of testing configurations and specimen sizes. The errors were less than 1%. Residual stress of the coating was also estimated.

Sound velocity of MgSiO 3 perovskite to Mbar pressure

NASA Astrophysics Data System (ADS)

Murakami, Motohiko; Sinogeikin, Stanislav V.; Hellwig, Holger; Bass, Jay D.; Li, Jie

2007-04-01

Brillouin scattering measurements of the aggregate shear wave velocities in MgSiO 3 perovskite were conducted at high pressure conditions relevant to the Earth's lowermost mantle, approaching 1 Mbar. Infrared laser annealing of samples in a diamond anvil cell allowed us to obtain high quality Brillouin spectra and to drastically extend the upper limit of pressure for Brillouin measurements. We found that the pressure derivative of the shear modulus (d G / d P = G') of MgSiO 3 perovskite is 1.56 ± 0.04, which is distinctly lower than that of previous lower-pressure experiments below 9 GPa. Extrapolation of the high-pressure shear velocities of perovskite to ambient pressure, are in excellent agreement with earlier room pressure Brillouin measurements. The shear modulus, shear velocity and longitudinal velocity at ambient pressure were determined to be G0 = 172.9(15) GPa, VS = 6.49(3) and VP = 10.85(3) km/sec. The mineralogical model that provides a best fit to global seismological 1-D velocity profiles is one that contains 85-90 vol% perovskite in the lower mantle. The results of this study are the first to demonstrate that the elastic wave velocities for a near-adiabatic lower mantle with a bulk composition dominated by magnesium silicate perovskite are consistent with the average lower mantle seismic velocity structure. The large pressure range over which acoustic measurements of MgSiO 3 perovskite performed in this study has thus allowed us to put tighter constraints on compositional models of the Earth's lower mantle.

Strain engineered pyrochlore at high pressure

DOE PAGES

Rittman, Dylan R.; Turner, Katlyn M.; Park, Sulgiye; ...

2017-05-22

Strain engineering is a promising method for next-generation materials processing techniques. Here, we use mechanical milling and annealing followed by compression in diamond anvil cell to tailor the intrinsic and extrinsic strain in pyrochlore, Dy 2Ti 2O 7 and Dy 2Zr 2O 7. Raman spectroscopy, X-ray pair distribution function analysis, and X-ray diffraction were used to characterize atomic order over short-, medium-, and long-range spatial scales, respectively, under ambient conditions. Raman spectroscopy and X-ray diffraction were further employed to interrogate the material in situ at high pressure. High-pressure behavior is found to depend on the species and concentration of defectsmore » in the sample at ambient conditions. Overall, we show that defects can be engineered to lower the phase transformation onset pressure by ~50% in the ordered pyrochlore Dy 2Ti 2O 7, and lower the phase transformation completion pressure by ~20% in the disordered pyrochlore Dy 2Zr 2O 7. Lastly, these improvements are achieved without significantly sacrificing mechanical integrity, as characterized by bulk modulus.« less

Temporal and spatial variation in porosity and compaction pressure for the viscoelastic slab

NASA Astrophysics Data System (ADS)

Morishige, M.; Van Keken, P. E.

2017-12-01

Fluid is considered to play key roles in subduction zones. It triggers various types of earthquakes by elevating pore-fluid pressure or forming hydrous minerals, and it also facilitates magma genesis by lowering the solidus temperatures of mantle and crustal rocks. Several previous numerical studies have worked on how fluid migrates and how porosity changes in time and space, but our knowledge of the fluid behavior remains limited. In this presentation, we demonstrate the detailed fluid behavior in the slab. The main features of this study are that (1) viscoelasticity is included, and that (2) fluid flow toward the inner part of the slab is also considered. We construct 2D and 3D finite element models for viscoelastic slab based on a theory of two-phase flow, which allows us to treat the movement of rock- and fluid- phases simultaneously. We solve the equations for porosity and compaction pressure which is defined as the pressure difference in between the two phases. Fluid source is fixed in time and space, and a uniform slab velocity is imposed for the whole model domain. There are several important parameters affecting the fluid behavior which includes bulk viscosity, bulk modulus, permeability, and fluid viscosity. Among these we fix bulk modulus and change the other parameters to investigate their effects on fluid migration. We find that when bulk viscosity is relatively high, elasticity is dominant and large amount of fluid is trapped in and around the fluid source. In addition, fluid migrates along the fluid source when relatively high ratio of permeability to fluid viscosity is assumed. Fluid generally moves with the slab when the ratio of permeability to fluid viscosity is low. One interesting feature is that in some cases porosity increases also in the deeper part of the fluid source due to the diffusion of compaction pressure. It suggests that the effects of resistance to volume change can be an alternative mechanism to effectively hydrate the inner part

Depth of cure, flexural properties and volumetric shrinkage of low and high viscosity bulk-fill giomers and resin composites.

PubMed

Tsujimoto, Akimasa; Barkmeier, Wayne W; Takamizawa, Toshiki; Latta, Mark A; Miyazaki, Masashi

2017-03-31

The purpose of this study was to investigate the depth of cure, flexural properties and volumetric shrinkage of low and high viscosity bulk-fill giomers and resin composites. Depth of cure and flexural properties were determined according to ISO 4049, and volumetric shrinkage was measured using a dilatometer. The depths of cure of giomers were significantly lower than those of resin composites, regardless of photo polymerization times. No difference in flexural strength and modulus was found among either high or low viscosity bulk fill materials. Volumetric shrinkage of low and high viscosity bulk-fill resin composites was significantly less than low and high viscosity giomers. Depth of cure of both low and high viscosity bulk-fill materials is time dependent. Flexural strength and modulus of high viscosity or low viscosity bulk-fill giomer or resin composite materials are not different for their respective category. Resin composites exhibited less polymerization shrinkage than giomers.

Mechanical relaxation in a Zr-based bulk metallic glass: Analysis based on physical models

NASA Astrophysics Data System (ADS)

Qiao, J. C.; Pelletier, J. M.

2012-08-01

The mechanical relaxation behavior in a Zr55Cu30Ni5Al10 bulk metallic glass is investigated by dynamic mechanical analysis in both temperature and frequency domains. Master curves can be obtained for the storage modulus G' and for the loss modulus G'', confirming the validity of the time-temperature superposition principle. Different models are discussed to describe the main (α) relaxation, e.g., Debye model, Havriliak-Negami (HN) model, Kohlrausch-Williams-Watt (KWW) model, and quasi-point defects (QPDs) model. The main relaxation in bulk metallic glass cannot be described using a single relaxation time. The HN model, the KWW model, and the QPD theory can be used to fit the data of mechanical spectroscopy experiments. However, unlike the HN model and the KWW model, some physical parameters are introduced in QPD model, i.e., atomic mobility and correlation factor, giving, therefore, a new physical approach to understand the mechanical relaxation in bulk metallic glasses.

Assessment of zero drift in the Codman intracranial pressure monitor: a study from 2 neurointensive care units.

PubMed

Al-Tamimi, Yahia Z; Helmy, Adel; Bavetta, Seb; Price, Stephen J

2009-01-01

Intraparenchymal monitoring devices play an important role in the daily management of head injury and other critically ill neurosurgical patients. Although zero drift data exist for the Camino system (Camino Laboratories, San Diego, CA), only in vitro data exist for the Codman system (Codman and Shurtleff, Inc., Raynham, MA). The aim of this study was to assess the extent of zero drift for the Codman intracranial pressure (ICP) monitor in patients being monitored in 2 neurointensive care units. This was a prospective study conducted at 2 neurointensive care units. Eighty-eight patients who required ICP monitoring and who presented to the 2 neurosurgical departments, Center 1 (n = 48) and Center 2 (n = 40), were recruited for participation. The duration of ICP monitoring was noted, as was the resultant pressure reading in normal saline on removing the ICP monitor (zero drift). The median absolute zero drift for the group was 2.0 mm Hg (interquartile range, 1-3 mm Hg). The median time in situ was 108 hours (interquartile range, 69-201 hours). There was a positive correlation between the drift and time of the probe spent in situ (Spearman's correlation coefficient = 0.342; P = 0.001). Of the readings, 20 and 2% showed a drift greater than 5 and 10 mm Hg in magnitude, respectively. These data demonstrate that a small amount of zero drift exists in ICP monitors and that this drift increases with time. The wide range in the data demonstrates that some drift readings are quite excessive. This reinforces the school of thought that, although ICP readings contribute significantly to the management of neurosurgical patients, they should be interpreted carefully and in conjunction with clinical and radiological assessment of patients.

Low temperature and high pressure thermoelastic and crystallographic properties of SrZrO3 perovskite in the Pbnm phase

NASA Astrophysics Data System (ADS)

Knight, Kevin S.; Bull, Craig L.

2016-12-01

The thermoelastic and structural properties of SrZrO3 perovskite in the Pnma (Pbnm) phase have been studied using neutron powder diffraction at 82 temperatures between 11 K and 406 K at ambient pressure, and at sixteen pressures between 0.07 and 6.7 GPa at ambient temperature. The bulk modulus, derived by fitting the equation of state to a second order Birch-Murnaghan equation-of-state, 157(5) GPa, is in excellent agreement with that deduced in a recent resonant ultrasound investigation. Experimental axial compressional moduli are in agreement with those calculated from the elastic stiffness coefficients derived by ab-initio calculation, although the experimental bulk modulus is significantly softer than that calculated. Following low temperature saturation for temperatures less than 40 K, the unit cell monotonically increases with a predicted high temperature limit in the volume expansivity of ∼2.65 × 10-5 K-1. Axial linear thermal expansion coefficients are found to be in the order αb < αc < αa for all temperatures greater than 20 K with the b axis indicating a weak, low temperature negative expansion coefficient at low temperatures. The thermoelastic properties of SrZrO3 can be approximated by a two-term Debye model for the phonon density of states with Debye temperatures of 238(4) K and 713(6) K derived in a self-consistent manner by simultaneously fitting the isochoric heat capacity and the unit cell volume. Atomic displacement parameters have been fitted to a modified Debye model in which the zero-point term is an additional refinable variable and shows the cations and anions have well separated Debye temperatures, mirroring the need for two Debye-like distributions in the vibrational density of states. The temperature dependence of the crystal structure is presented in terms of the amplitudes of the seven symmetry-adapted basis vectors of the aristotype phase that are consistent with space group Pbnm, thus permitting a direct measure of the order

High pressure structural behavior of YGa2: A combined experimental and theoretical study

NASA Astrophysics Data System (ADS)

Sekar, M.; Shekar, N. V. Chandra; Babu, R.; Sahu, P. Ch.; Sinha, A. K.; Upadhyay, Anuj; Singh, M. N.; Babu, K. Ramesh; Appalakondaiah, S.; Vaitheeswaran, G.; Kanchana, V.

2015-03-01

High pressure structural stability studies were carried out on YGa2 (AlB2 type structure at NTP, space group P6/mmm) up to a pressure of 35 GPa using both laboratory based rotating anode and synchrotron X-ray sources. An isostructural transition with reduced c/a ratio, was observed at 6 GPa and above 17.5 GPa, the compound transformed to orthorhombic structure. Bulk modulus B0 for the parent and high pressure phases were estimated using Birch-Murnaghan and modified Birch-Murnaghan equation of state. Electronic structure calculations based on projector augmented wave method confirms the experimentally observed two high pressure structural transitions. The calculations also reveal that the 'Ga' networks remains as two dimensional in the high pressure isostructural phase, whereas the orthorhombic phase involves three dimensional networks of 'Ga' atoms interconnected by strong covalent bonds.

Modified Silicone-Rubber Tooling For Molding Composite Parts

NASA Technical Reports Server (NTRS)

Baucom, Robert M.; Snoha, John J.; Weiser, Erik S.

1995-01-01

Reduced-thermal-expansion, reduced-bulk-modulus silicone rubber for use in mold tooling made by incorporating silica powder into silicone rubber. Pressure exerted by thermal expansion reduced even further by allowing air bubbles to remain in silicone rubber instead of deaerating it. Bubbles reduce bulk modulus of material.

Stratification calculations in a heated cryogenic oxygen storage tank at zero gravity

NASA Technical Reports Server (NTRS)

Shuttles, J. T.; Smith, G. L.

1971-01-01

A cylindrical one-dimensional model of the Apollo cyrogenic oxygen storage tank has been developed to study the effect of stratification in the tank. Zero gravity was assumed, and only the thermally induced motions were considered. The governing equations were derived from conservation laws and solved on a digital computer. Realistic thermodynamic and transport properties were used. Calculations were made for a wide range of conditions. The results show the fluid behavior to be dependent on the quantity in the tank or equivalently the bulk fluid temperature. For high quantities (low temperatures) the tank pressure rose rapidly with heat addition, the heater temperature remained low, and significant pressure drop potentials accrued. For low quantities the tank pressure rose more slowly with heat addition and the heater temperature became high. A high degree of stratification resulted for all conditions; however, the stratified region extended appreciably into the tank only for the lowest tank quantity.

Superconductivity under high pressure in the binary compound CaLi2

NASA Astrophysics Data System (ADS)

Debessai, M.; Matsuoka, T.; Hamlin, J. J.; Gangopadhyay, A. K.; Schilling, J. S.; Shimizu, K.; Ohishi, Y.

2008-12-01

Feng predicted for CaLi2 highly anomalous properties with possible superconductivity under very high pressures, including for the hcp polymorph a significant lattice bifurcation at pressures above 47 GPa. More recently, however, Feng suggested that for pressures exceeding 20 GPa CaLi2 may dissociate into elemental Ca and Li. Here we present for hcp CaLi2 measurements of the electrical resistivity and ac susceptibility to low temperatures under pressures as high as 81 GPa. Pressure-induced superconductivity is observed in the pressure range of 11-81 GPa, with Tc reaching values as high as 13 K. X-ray diffraction studies to 54 GPa at 150 K reveal that hcp CaLi2 undergoes a structural phase transition above 23 GPa to orthorhombic but does not dissociate into elemental Ca and Li. In the hcp phase a fit of the equation of state with the Murnaghan equation yields the bulk modulus Bo=15(2)GPa and dBo/dP=3.2(6) .

Thermal transport properties of bulk and monolayer MoS2: an ab-initio approach

NASA Astrophysics Data System (ADS)

Bano, Amreen; Khare, Preeti; Gaur, N. K.

2017-05-01

The transport properties of semiconductors are key to the performance of many solid-state devices (transistors, data storage, thermoelectric cooling and power generation devices, etc). In recent years simulation tools based on first-principles calculations have been greatly improved, being able to obtain the fundamental ground-state properties of materials accurately. The quasi harmonic thermal properties of bulk and monolayer of MoS2 has been computed with ab initio periodic simulations based of density functional theory (DFT). The temperature dependence of bulk modulus, specific heat, thermal expansion and gruneisen parameter have been calculated in our work within the temperature range of 0K to 900K with projected augmented wave (PAW) method using generalized gradient approximation (GGA). Our results show that the optimized lattice parameters are in good agreement with the earlier reported works and also for thermoelastic parameter, i.e. isothermal bulk modulus (B) at 0K indicates that monolayer MoS2 (48.5 GPa)is more compressible than the bulk structure (159.23 GPa). The thermal expansion of monolayer structure is slightly less than the bulk. Similarly, other parameters like heat capacity and gruneisen parameter shows different nature which is due to the confinement of 3 dimensional structure to 2 dimension (2D) for improving its transport characteristics.

Bulk Properties of Ni3Al(gamma') With Cu and Au Additions

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Ferrante, John

1995-01-01

The BFS method for alloys is applied to the study of 200 alloys obtained from adding Cu and Au impurities to a Ni3Al matrix. We analyze the trends in the bulk properties of these alloys (heat of formation, lattice parameter, and bulk modulus) and detect specific alloy compositions for which these quantities have particular values. A detailed analysis of the atomic interactions that lead to the preferred ordering patterns is presented.

Viscoelastic optical nonlocality of doped cadmium oxide epsilon-near-zero thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luk, Ting S.; De Ceglia, Domenico; Scalora, Michael

Optical nonlocalities are elusive and hardly observable in traditional plasmonic materials like noble and alkali metals. Here we experimentally observe and theoretically model viscoelastic nonlocalities in the infrared optical response of a doped, cadmium oxide epsilon-near-zero thin film. The nonlocality is clearly detectable thanks to the low damping rate of conduction electrons and the virtual absence of interband transitions at infrared wavelengths. We describe the motion of conduction electrons using a hydrodynamic model for a viscoelastic fluid, and find excellent agreement with experimental results. The electrons’ elasticity blue-shifts the infrared plasmonic resonance associated with the main epsilon-near-zero mode, and triggersmore » the onset of higher-order resonances due to the excitation of electron-pressure modes above the bulk plasma frequency. We also provide evidence of the existence of nonlocal damping, i.e., viscosity, in the motion of optically-excited conduction electrons using a combination of spectroscopic ellipsometry data and predictions based on the viscoelastic hydrodynamic model.« less

Laser-induced breakdown spectroscopy of bulk aqueous solutions at oceanic pressures: evaluation of key measurement parameters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Michel, Anna P. M.; Lawrence-Snyder, Marion; Angel, S. Michael

The development of in situ chemical sensors is critical for present-day expeditionary oceanography and the new mode of ocean observing systems that we are entering. New sensors take a significant amount of time to develop; therefore, validation of techniques in the laboratory for use in the ocean environment is necessary. Laser-induced breakdown spectroscopy (LIBS) is a promising in situ technique for oceanography. Laboratory investigations on the feasibility of using LIBS to detect analytes in bulk liquids at oceanic pressures were carried out. LIBS was successfully used to detect dissolved Na, Mn, Ca, K, and Li at pressures up to 2.76x107more » Pa. The effects of pressure, laser-pulse energy, interpulse delay, gate delay, temperature, and NaCl concentration on the LIBS signal were examined. An optimal range of laser-pulse energies was found to exist for analyte detection in bulk aqueous solutions at both low and high pressures. No pressure effect was seen on the emission intensity for Ca and Na, and an increase in emission intensity with increased pressure was seen for Mn. Using the dual-pulse technique for several analytes, a very short interpulse delay resulted in the greatest emission intensity. The presence of NaCl enhanced the emission intensity for Ca, but had no effect on peak intensity of Mn or K. Overall, increased pressure, the addition of NaCl to a solution, and temperature did not inhibit detection of analytes in solution and sometimes even enhanced the ability to detect the analytes. The results suggest that LIBS is a viable chemical sensing method for in situ analyte detection in high-pressure environments such as the deep ocean.« less

Ab-initio study of electronic structure and elastic properties of ZrC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mund, H. S., E-mail: hmoond@gmail.com; Ahuja, B. L.

2016-05-23

The electronic and elastic properties of ZrC have been investigated using the linear combination of atomic orbitals method within the framework of density functional theory. Different exchange-correlation functionals are taken into account within generalized gradient approximation. We have computed energy bands, density of states, elastic constants, bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, lattice parameters and pressure derivative of the bulk modulus by calculating ground state energy of the rock salt structure type ZrC.

First-principles studies of electronic, transport and bulk properties of pyrite FeS2

NASA Astrophysics Data System (ADS)

Banjara, Dipendra; Malozovsky, Yuriy; Franklin, LaShounda; Bagayoko, Diola

2018-02-01

We present results from first principle, local density approximation (LDA) calculations of electronic, transport, and bulk properties of iron pyrite (FeS2). Our non-relativistic computations employed the Ceperley and Alder LDA potential and the linear combination of atomic orbitals (LCAO) formalism. The implementation of the LCAO formalism followed the Bagayoko, Zhao, and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF). We discuss the electronic energy bands, total and partial densities of states, electron effective masses, and the bulk modulus. Our calculated indirect band gap of 0.959 eV (0.96), using an experimental lattice constant of 5.4166 Å, at room temperature, is in agreement with the measured indirect values, for bulk samples, ranging from 0.84 eV to 1.03 ± 0.05 eV. Our calculated bulk modulus of 147 GPa is practically in agreement with the experimental value of 145 GPa. The calculated, partial densities of states reproduced the splitting of the Fe d bands to constitute the dominant upper most valence and lower most conduction bands, separated by the generally accepted, indirect, experimental band gap of 0.95 eV.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Winterrose, M.L.; Lucas, M.S.; Yue, A.F.

Synchrotron x-ray diffraction (XRD) measurements, nuclear forward scattering (NFS) measurements, and density functional theory (DFT) calculations were performed on L1{sub 2}-ordered Pd{sub 3}Fe. Measurements were performed at 300 K at pressures up to 33 GPa, and at 7 GPa at temperatures up to 650 K. The NFS revealed a collapse of the Fe57 magnetic moment between 8.9 and 12.3 GPa at 300 K, coinciding with a transition in bulk modulus found by XRD. Heating the sample under a pressure of 7 GPa showed negligible thermal expansion from 300 to 523 K, demonstrating Invar behavior. Zero-temperature DFT calculations identified a ferromagneticmore » ground state and showed several antiferromagnetic states had comparable energies at pressures above 20 GPa.« less

High pressure behaviour of uranium dicarbide (UC{sub 2}): Ab-initio study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sahoo, B. D., E-mail: bdsahoo@barc.gov.in; Mukherjee, D.; Joshi, K. D.

2016-08-28

The structural stability of uranium dicarbide has been examined under hydrostatic compression employing evolutionary structure search algorithm implemented in the universal structure predictor: evolutionary Xtallography (USPEX) code in conjunction with ab-initio electronic band structure calculation method. The ab-initio total energy calculations involved for this purpose have been carried out within both generalized gradient approximations (GGA) and GGA + U approximations. Our calculations under GGA approximation predict the high pressure structural sequence of tetragonal → monoclinic → orthorhombic for this material with transition pressures of ∼8 GPa and 42 GPa, respectively. The same transition sequence is predicted by calculations within GGA + U also with transition pressuresmore » placed at ∼24 GPa and ∼50 GPa, respectively. Further, on the basis of comparison of zero pressure equilibrium volume and equation of state with available experimental data, we find that GGA + U approximation with U = 2.5 eV describes this material better than the simple GGA approximation. The theoretically predicted high pressure structural phase transitions are in disagreement with the only high experimental study by Dancausse et al. [J. Alloys. Compd. 191, 309 (1993)] on this compound which reports a tetragonal to hexagonal phase transition at a pressure of ∼17.6 GPa. Interestingly, during lowest enthalpy structure search using USPEX, we do not see any hexagonal phase to be closer to the predicted monoclinic phase even within 0.2 eV/f. unit. More experiments with varying carbon contents in UC{sub 2} sample are required to resolve this discrepancy. The existence of these high pressure phases predicted by static lattice calculations has been further substantiated by analyzing the elastic and lattice dynamic stability of these structures in the pressure regimes of their structural stability. Additionally, various thermo-physical quantities such

Sensitivity analysis of pars-tensa young's modulus estimation using inverse finite-element modeling

NASA Astrophysics Data System (ADS)

Rohani, S. Alireza; Elfarnawany, Mai; Agrawal, Sumit K.; Ladak, Hanif M.

2018-05-01

Accurate estimates of the pars-tensa (PT) Young's modulus (EPT) are required in finite-element (FE) modeling studies of the middle ear. Previously, we introduced an in-situ EPT estimation technique by optimizing a sample-specific FE model to match experimental eardrum pressurization data. This optimization process requires choosing some modeling assumptions such as PT thickness and boundary conditions. These assumptions are reported with a wide range of variation in the literature, hence affecting the reliability of the models. In addition, the sensitivity of the estimated EPT to FE modeling assumptions has not been studied. Therefore, the objective of this study is to identify the most influential modeling assumption on EPT estimates. The middle-ear cavity extracted from a cadaveric temporal bone was pressurized to 500 Pa. The deformed shape of the eardrum after pressurization was measured using a Fourier transform profilometer (FTP). A base-line FE model of the unpressurized middle ear was created. The EPT was estimated using golden section optimization method, which minimizes the cost function comparing the deformed FE model shape to the measured shape after pressurization. The effect of varying the modeling assumptions on EPT estimates were investigated. This included the change in PT thickness, pars flaccida Young's modulus and possible FTP measurement error. The most influential parameter on EPT estimation was PT thickness and the least influential parameter was pars flaccida Young's modulus. The results of this study provide insight into how different parameters affect the results of EPT optimization and which parameters' uncertainties require further investigation to develop robust estimation techniques.

Adaptation of a zero-dimensional cylinder pressure model for diesel engines using the crankshaft rotational speed

NASA Astrophysics Data System (ADS)

Weißenborn, E.; Bossmeyer, T.; Bertram, T.

2011-08-01

Tighter emission regulations are driving the development of advanced engine control strategies relying on feedback information from the combustion chamber. In this context, it is especially seeked for alternatives to expensive in-cylinder pressure sensors. The present study addresses these issues by pursuing a simulation-based approach. It focuses on the extension of an empirical, zero-dimensional cylinder pressure model using the engine speed signal in order to detect cylinder-wise variations in combustion. As a special feature, only information available from the standard sensor configuration are utilized. Within the study, different methods for the model-based reconstruction of the combustion pressure including nonlinear Kalman filtering are compared. As a result, the accuracy of the cylinder pressure model can be enhanced. At the same time, the inevitable limitations of the proposed methods are outlined.

Thermal equation of state of TiC: A synchrotron x-ray diffraction study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu Xiaohui; National Lab for Condensed Matter Physics, Institute of Physics, CAS, Beijing 100080; Department of Physics, University of Science and Technology of China, Hefei 230026

2010-06-15

The pressure-volume-temperature measurements were carried out for titanium carbide (TiC) at pressures and temperatures up to 8.1 GPa and 1273 K using energy-dispersive synchrotron x-ray diffraction. Thermoelastic parameters were derived for TiC based on a modified high-temperature Birch-Murnaghan equation of state and a thermal pressure approach. With the pressure derivative of the bulk modulus, K{sub 0}{sup '}, fixed at 4.0, we obtain: the ambient bulk modulus K{sub 0}=268(6) GPa, which is comparable to previously reported value; temperature derivative of bulk modulus at constant pressure ({partial_derivative}K{sub T}/{partial_derivative}T){sub P}=-0.026(9) GPa K{sup -1}, volumetric thermal expansivity {alpha}{sub T}(K{sup -1})=a+bT with a=1.62(12)x10{sup -5} K{supmore » -1} and b=1.07(17)x10{sup -8} K{sup -2}, pressure derivative of thermal expansion ({partial_derivative}{alpha}/{partial_derivative}P){sub T}=(-3.62{+-}1.14)x10{sup -7} GPa{sup -1} K{sup -1}, and temperature derivative of bulk modulus at constant volume ({partial_derivative}K{sub T}/{partial_derivative}T){sub V}=-0.015(8) GPa K{sup -1}. These results provide fundamental thermophysical properties for TiC for the first time and are important to theoretical and computational modeling of transition metal carbides.« less

Thermal Equation of State of TiC: A Synchrotron X-ray Diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, X.; Lin, Z; Zhang, J

2010-01-01

The pressure-volume-temperature measurements were carried out for titanium carbide (TiC) at pressures and temperatures up to 8.1 GPa and 1273 K using energy-dispersive synchrotron x-ray diffraction. Thermoelastic parameters were derived for TiC based on a modified high-temperature Birch-Murnaghan equation of state and a thermal pressure approach. With the pressure derivative of the bulk modulus, K{prime}{sub 0}, fixed at 4.0, we obtain: the ambient bulk modulus K{sub 0} = 268(6) GPa, which is comparable to previously reported value; temperature derivative of bulk modulus at constant pressure ({partial_derivative}K{sub T}/{partial_derivative}T){sub P} = -0.026(9) GPa K{sup -1}, volumetric thermal expansivity {alpha}{sub T}(K{sup -1}) =more » a+b T with a = 1.62(12) x 10{sup -5} K{sup -1} and b = 1.07(17) x 10{sup -8}K{sup -2}, pressure derivative of thermal expansion ({partial_derivative}{sub {alpha}}/{partial_derivative}{sub P}){sub T} = (-3.62 {+-} 1.14) x 10{sup -7} GPa{sup -1} K{sup -1}, and temperature derivative of bulk modulus at constant volume ({partial_derivative}K{sub T}/{partial_derivative}T){sub V} = -0.015(8) GPa K{sup -1}. These results provide fundamental thermophysical properties for TiC for the first time and are important to theoretical and computational modeling of transition metal carbides.« less

Sixfold-coordinated amorphous polymorph of SiO2 under high pressure.

PubMed

Sato, Tomoko; Funamori, Nobumasa

2008-12-19

We have developed synchrotron x-ray absorption and diffraction techniques for measuring the density and structure of noncrystalline materials at high pressures and have applied them to studying the behavior of SiO2 glass. The density, coordination number, and Si-O bond length at a pressure of 50 GPa were measured to be 4.63 g/cm;{3}, 6.3, and 1.71 A, respectively. Based on the density data measured in this study and the sound velocity data available in the literature, the bulk modulus at 50 GPa was estimated to be 390 GPa, which is consistent with the pressure dependence of the density in the vicinity of 50 GPa. These results, together with the knowledge from our exploratory study, suggest that SiO2 glass behaves as a single amorphous polymorph having a sixfold-coordinated structure at pressures above 40-45 GPa up to at least 100 GPa.

Behaviors of Zn2GeO4 under high pressure and high temperature

NASA Astrophysics Data System (ADS)

Shu-Wen, Yang; Fang, Peng; Wen-Tao, Li; Qi-Wei, Hu; Xiao-Zhi, Yan; Li, Lei; Xiao-Dong, Li; Duan-Wei, He

2016-07-01

The structural stability of Zn2GeO4 was investigated by in-situ synchrotron radiation angle dispersive x-ray diffraction. The pressure-induced amorphization is observed up to 10 GPa at room temperature. The high-pressure and high-temperature sintering experiments and the Raman spectrum measurement firstly were performed to suggest that the amorphization is caused by insufficient thermal energy and tilting Zn-O-Ge and Ge-O-Ge bond angles with increasing pressure, respectively. The calculated bulk modulus of Zn2GeO4 is 117.8 GPa from the pressure-volume data. In general, insights into the mechanical behavior and structure evolution of Zn2GeO4 will shed light on the micro-mechanism of the materials variation under high pressure and high temperature. Project supported by the Joint Fund of the National Natural Science Foundation of China and Chinese Academy of Sciences (Grant No. U1332104).

Pressure-induced switching in ferroelectrics: Phase-field modeling, electrochemistry, flexoelectric effect, and bulk vacancy dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cao, Ye; Morozovska, Anna; Kalinin, Sergei V.

Pressure-induced polarization switching in ferroelectric thin films has emerged as a powerful method for domain patterning, allowing us to create predefined domain patterns on free surfaces and under thin conductive top electrodes. However, the mechanisms for pressure-induced polarization switching in ferroelectrics remain highly controversial, with flexoelectricity, polarization rotation and suppression, and bulk and surface electrochemical processes all being potentially relevant. Here we classify possible pressure-induced switching mechanisms, perform elementary estimates, and study in depth using phase-field modeling. Finally, we show that magnitudes of these effects are remarkably close and give rise to complex switching diagrams as a function of pressuremore » and film thickness with nontrivial topology or switchable and nonswitchable regions.« less

Pressure-induced switching in ferroelectrics: Phase-field modeling, electrochemistry, flexoelectric effect, and bulk vacancy dynamics

DOE PAGES

Cao, Ye; Morozovska, Anna; Kalinin, Sergei V.

2017-11-01

Pressure-induced polarization switching in ferroelectric thin films has emerged as a powerful method for domain patterning, allowing us to create predefined domain patterns on free surfaces and under thin conductive top electrodes. However, the mechanisms for pressure-induced polarization switching in ferroelectrics remain highly controversial, with flexoelectricity, polarization rotation and suppression, and bulk and surface electrochemical processes all being potentially relevant. Here we classify possible pressure-induced switching mechanisms, perform elementary estimates, and study in depth using phase-field modeling. Finally, we show that magnitudes of these effects are remarkably close and give rise to complex switching diagrams as a function of pressuremore » and film thickness with nontrivial topology or switchable and nonswitchable regions.« less

Zero-gravity venting of three refrigerants

NASA Technical Reports Server (NTRS)

Labus, T. L.; Aydelott, J. C.; Amling, G. E.

1974-01-01

An experimental investigation of venting cylindrical containers partially filled with initially saturated liquids under zero-gravity conditions was conducted in the NASA Lewis Research Center 5-second zero-gravity facility. The effect of interfacial mass transfer on the ullage pressure response during venting was analytically determined, based on a conduction analysis applied to an infinitely planer (flat) liquid-vapor interface. This pressure response was compared with both the experimental results and an adiabatic decompression computation.

Pressure-Driven Spin Crossover Involving Polyhedral Transformation in Layered Perovskite Cobalt Oxyfluoride

PubMed Central

Tsujimoto, Yoshihiro; Nakano, Satoshi; Ishimatsu, Naoki; Mizumaki, Masaichiro; Kawamura, Naomi; Kawakami, Takateru; Matsushita, Yoshitaka; Yamaura, Kazunari

2016-01-01

We report a novel pressure-driven spin crossover in layered cobalt oxyfluoride Sr2CoO3F with a distorted CoO5 square pyramid loosely bound with a fluoride ion. Upon increasing pressure, the spin state of the Co(III) cation gradually changes from a high spin state (S = 2) to a low spin state (S = 0) accompanied by a anomalously large volume contraction (bulk modulus, 76.8(5) GPa). The spin state change occurs on the CoO5 pyramid in a wide pressure range, but the concomitant gradual shrinkage of the Co–F bond length with pressure gives rise to a polyhedral transformation to the CoO5F octahedron without a structural phase transition, leading to the full conversion to the LS state at 12 GPa. The present results provide new effective strategy to fine-tune electronic properties of mixed anion systems by controlling the covalency in metal-ligand bonds under pressure. PMID:27805031

Origin of negative thermal expansion in Zn2GeO4 revealed by high pressure study

NASA Astrophysics Data System (ADS)

Cheng, Xuerui; Yuan, Jie; Zhu, Xiang; Yang, Kun; Liu, Miao; Qi, Zeming

2018-03-01

Zn2GeO4, as an open-framework structure compound, exhibits negative thermal expansion (NTE) below room temperature. In this work, we investigated the structural stability and phonon modes employing the x-ray diffraction and Raman spectroscopy under high pressure up to 23.0 GPa within a diamond anvil cell, and we observed that a pressure-induced irreversible amorphization took place around 10.1 GPa. Bulk modulus, pressure coefficients, and Grüneisen parameters were measured for the initial rhombohedral structure. Several low-frequency rigid-unit modes are found to have negative Grüneisen parameter, which accounts for the primary part of NTE in Zn2GeO4. These results further confirm the hypothesis that the pressure-induced amorphization and the negative thermal expansion are correlated phenomena.

X-ray diffraction and spectroscopy study of nano-Eu 2O 3 structural transformation under high pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Zhenhai; Wang, Qinglin; Ma, Yanzhang

Nanoscale materials exhibit properties that are quite distinct from those of bulk materials because of their size restricted nature. Here, we investigated the high-pressure structural stability of cubic (C-type) nano-Eu2O3 using in situ synchrotron X-ray diffraction (XRD), Raman and luminescence spectroscopy, and impedance spectra techniques. Our high-pressure XRD experimental results revealed a pressure-induced structural phase transition in nano-Eu2O3 from the C-type phase (space group: Ia-3) to a hexagonal phase (A-type, space group: P-3m1). Our reported transition pressure (9.3 GPa) in nano-Eu2O3 is higher than that of the corresponding bulk-Eu2O3 (5.0 GPa), which is contrary to the preceding reported experimental result.more » After pressure release, the A-type phase of Eu2O3 transforms into a new monoclinic phase (B-type, space group: C2/m). Compared with bulk-Eu2O3, C-type and A-type nano-Eu2O3 exhibits a larger bulk modulus. Our Raman and luminescence findings and XRD data provide consistent evidence of a pressure-induced structural phase transition in nano-Eu2O3. To our knowledge, we have performed the first high-pressure impedance spectra investigation on nano-Eu2O3 to examine the effect of the structural phase transition on its transport properties. We propose that the resistance inflection exhibited at ~12 GPa results from the phase boundary between the C-type and A-type phases. Besides, we summarized and discussed the structural evolution process by the phase diagram of lanthanide sesquioxides (Ln2O3) under high pressure.« less

The Earth's core composition from high pressure density measurements of liquid iron alloys

NASA Astrophysics Data System (ADS)

Morard, G.; Siebert, J.; Andrault, D.; Guignot, N.; Garbarino, G.; Guyot, F.; Antonangeli, D.

2013-07-01

High-pressure, high-temperature in situ X-ray diffraction has been measured in liquid iron alloys (Fe-5 wt% Ni-12 wt% S and Fe-5 wt% Ni-15 wt% Si) up to 94 GPa and 3200 K in laser-heated diamond anvil cells. From the analysis of the X-ray diffuse scattering signal of the metallic liquids, we determined density and bulk modulus of the two liquid alloys. Comparison with a reference Earth model indicates that a core composition containing 6% of sulfur and 2% of silicon by weight would best match the geophysical data. Models with 2.5% of sulfur and 4-5% of silicon are still consistent with geophysical constraints whereas silicon only compositions are not. These results suggest only moderate depletion of sulfur in the bulk Earth.

First-principles investigation of structural, elastic, lattice dynamical and thermodynamic properties of lithium sulfur under pressure

NASA Astrophysics Data System (ADS)

Saib, S.; Bouarissa, N.

2017-10-01

In this study we report on the influence of hydrostatic pressure on structural, elastic, lattice dynamical and thermal properties of Li2S in the anti-fluorite structure using ab initio pseudopotential approach based on the density functional perturbation theory. Our results are found to be in good agreement with those existing in the literature. The present phonon dispersion spectra, dielectric constants and Born effective charges may be seen as the first investigation for the material under load. The pressure dependence of all features of interest has been examined and discussed. Besides, the temperature dependence of the lattice parameter and bulk modulus is predicted. The generalized elastic stability criteria showed that the material of interest is mechanically unstable for pressures beyond 55 GPa.

3D Modeling Effect of Spherical Inclusions on the Magnetostriction of Bulk Superconductors

NASA Astrophysics Data System (ADS)

Zhao, Yufeng; Pan, Baocai

2018-02-01

In this paper, the dependence of the effective magnetostriction of bulk superconductors on the elastic parameters including the volume fraction and elastic modulus ratio is studied by a three-dimensional model consisting of a spherical inclusion-superconducting matrix system. The effect of the elastic modulus and volume fraction on the magnetostriction is also obtained through the magnetostriction loop. The results indicate that the elastic modulus and volume fraction have obvious effects on the effective magnetostriction of the superconducting composite, which gives an explanation about the differences between the experimental and the theoretical results. Furthermore, it is worth pointing out that the linear field dependence of magnetostriction is unique to the Bean model by comparing the curve shapes of the magnetostriction loop with and without inclusion.

Compression-sensitive magnetic resonance elastography

NASA Astrophysics Data System (ADS)

Hirsch, Sebastian; Beyer, Frauke; Guo, Jing; Papazoglou, Sebastian; Tzschaetzsch, Heiko; Braun, Juergen; Sack, Ingolf

2013-08-01

Magnetic resonance elastography (MRE) quantifies the shear modulus of biological tissue to detect disease. Complementary to the shear elastic properties of tissue, the compression modulus may be a clinically useful biomarker because it is sensitive to tissue pressure and poromechanical interactions. In this work, we analyze the capability of MRE to measure volumetric strain and the dynamic bulk modulus (P-wave modulus) at a harmonic drive frequency commonly used in shear-wave-based MRE. Gel phantoms with various densities were created by introducing CO2-filled cavities to establish a compressible effective medium. The dependence of the effective medium's bulk modulus on phantom density was investigated via static compression tests, which confirmed theoretical predictions. The P-wave modulus of three compressible phantoms was calculated from volumetric strain measured by 3D wave-field MRE at 50 Hz drive frequency. The results demonstrate the MRE-derived volumetric strain and P-wave modulus to be sensitive to the compression properties of effective media. Since the reconstruction of the P-wave modulus requires third-order derivatives, noise remains critical, and P-wave moduli are systematically underestimated. Focusing on relative changes in the effective bulk modulus of tissue, compression-sensitive MRE may be useful for the noninvasive detection of diseases involving pathological pressure alterations such as hepatic hypertension or hydrocephalus.

Spray Bar Zero-Gravity Vent System for On-Orbit Liquid Hydrogen Storage

NASA Technical Reports Server (NTRS)

Hastings, L. J.; Flachbart, R. H.; Martin, J. J.; Hedayat, A.; Fazah, M.; Lak, T.; Nguyen, H.; Bailey, J. W.

2003-01-01

During zero-gravity orbital cryogenic propulsion operations, a thermodynamic vent system (TVS) concept is expected to maintain tank pressure control without propellant resettling. In this case, a longitudinal spray bar mixer system, coupled with a Joule-Thompson (J-T) valve and heat exchanger, was evaluated in a series of TVS tests using the 18 cu m multipurpose hydrogen test bed. Tests performed at fill levels of 90, 50, and 25 percent, coupled with heat tank leaks of about 20 and 50 W, successfully demonstrated tank pressure control within a 7-kPa band. Based on limited testing, the presence of helium constrained the energy exchange between the gaseous and liquid hydrogen (LH2) during the mixing cycles. A transient analytical model, formulated to characterize TVS performance, was used to correlate the test data. During self-pressurization cycles following tank lockup, the model predicted faster pressure rise rates than were measured; however, once the system entered the cyclic self-pressurization/mixing/venting operational mode, the modeled and measured data were quite similar. During a special test at the 25-percent fill level, the J-T valve was allowed to remain open and successfully reduced the bulk LH2 saturation pressure from 133 to 70 kPa in 188 min.

Parafermionic zero modes in gapless edge states

NASA Astrophysics Data System (ADS)

Clarke, David

It has been recently demonstrated1 that Majorana zero modes may occur in the gapless edge of Abelian quantum Hall states at a boundary between different edge phases bordering the same bulk. Such a zero mode is guaranteed to occur when an edge phase that supports fermionic excitations borders one that does not. Here we generalize to the non-charge conserving case such as may occur when a superconductor abuts the quantum Hall edge. We find that not only Majorana zero modes, but their ℤN generalizations (known as parafermionic zero modes) may occur at boundaries between edge phases in a fractional quantum Hall state. In particular, we find thst the ν = 1 / 3 fractional quantum Hall state supports topologically distinct edge phases separated by ℤ3 parafermionic zero modes when charge conservation is broken. Paradoxically, an arrangement of phases can be made such that only an odd number of localized parafermionic zero modes occur around the edge of a quantum Hall droplet. Such an arrangement is not allowed in a gapped system, but here the paradox is resolved due to an extended zero mode in the edge spectrum. LPS-MPO-CMTC, JQI-NSF-PFC, Microsoft Station Q.

Ultrasonic Sound Velocity of Diopside Liquid Under High Pressure and High Temperature Conditions

NASA Astrophysics Data System (ADS)

Xu, M.; Jing, Z.; Chantel, J.; Yu, T.; Wang, Y.; Jiang, P.

2017-12-01

The equation of state (EOS) of silicate liquids is of great significance to the understanding of the dynamics and differentiation of the magmatic systems in Earth and other terrestrial planets. Sound velocity of silicate liquids measured at high pressure can provide direct information on the bulk modulus and its pressure derivative and hence tightly constrain the EOS of silicate liquids. In addition, the sound velocity data can be directly compared to seismic observations to infer the presence of melts in the mantle. While the sound velocity for silicate liquids at ambient pressure has been well established, the high-pressure sound velocity data are still lacking due to experimental challenges. In this study, we successfully determined the sound velocities of diopside (CaMgSi2O6) liquid in a multi-anvil apparatus under high pressure-high temperature conditions from 1 to 4 GPa and 1973 to 2473 K by the ultrasonic interferometry in conjunction with synchrotron X-ray techniques. Diopside was chosen to study because it is not only one of the most important phases in the Earth's upper mantle, but also an end-member composition of model basalt. It is thus an ideal simplified melt composition in the upper mantle. Besides, diopside liquid has been studied by ambient-pressure ultrasonic measurements (e.g., Ai and Lange, 2008) and shock-wave experiments at much higher pressure (e.g., Asimow and Ahrens, 2010), which allows comparison with our results over a large pressure range. Our high-pressure results on the sound velocity of Di liquid are consistent with the ambient-pressure data and show an increase of velocity with pressure (from 3039 m/s at 0.1 GPa to 4215 m/s at 3.5 GPa). Fitting to the Murnaghan EOS gives an isentropic bulk modulus (Ks) of 24.8 GPa and its pressure dependence (K'S) of 7.8. These are consistent with the results from shock-wave experiments on Di liquid (Asimow and Ahrens, 2010), indicating that the technique used in this study is capable to accurately

High-pressure polymorphism of Pb F 2 to 75 GPa

DOE PAGES

Stan, Camelia V.; Dutta, Rajkrishna; White, Claire E.; ...

2016-07-06

Lead fluoride, PbF 2, was investigated experimentally in the laser-heated diamond anvil cell by x-ray diffraction to pressures of 75 GPa at room temperature and to 64.5 GPa and 2430 K, as well as through first-principles density functional theory calculations up to 70 GPa. During room temperature compression, no discontinuous changes in the x-ray diffraction pattern or volume were observed, but the lattice parameters displayed highly anomalous trends between 10-22 GPa with enhanced compressibility along the a direction and reduced or even negative compressibility along b and c. Theoretical calculations of valence electron densities at 22 GPa showed that α-PbFmore » 2 underwent a pressure-induced isosymmetric phase transition to a postcotunnite Co 2Si structure and also revealed the detailed atomic rearrangements associated with the development of an extra Pb-F bond in the high-pressure phase. Our x-ray results and theoretical calculations are consistent with an isosymmetric phase transition smoothly occurring over 10-22 GPa rather than abruptly as previously suggested. The characteristic values for the cell constants a/c and (a+c)/b, which are used to distinguish among cotunnite-, Co 2Si-, and Ni 2In-type phases, require modification based on our results. An equation of state fit yields a bulk modulus, K 0, of 72(3) GPa for the cotunnite-type, and an ambient-pressure volume, V 0, of 182(2)Å 3, and K 0=81(4)GPa for the Co 2Si-type phase when fixing the pressure derivative of the bulk modulus, K 0'=4. Upon heating above 1200 K at pressures at or above 25.9 GPa, PbF 2 partially transformed to the hexagonal Ni 2In-type phase but wholly or partially reverted back to Co 2Si-type phase upon temperature quench. From 43-65 GPa, nearly complete transformation to the Ni 2In-type PbF 2 was observed at high temperature, but the material partially transformed back to the orthorhombic phase upon temperature quench. Our results show that high-pressure behavior of PbF 2 is

High-pressure polymorphism of Pb F2 to 75 GPa

NASA Astrophysics Data System (ADS)

Stan, Camelia V.; Dutta, Rajkrishna; White, Claire E.; Prakapenka, Vitali; Duffy, Thomas S.

2016-07-01

Lead fluoride, Pb F2 , was investigated experimentally in the laser-heated diamond anvil cell by x-ray diffraction to pressures of 75 GPa at room temperature and to 64.5 GPa and 2430 K, as well as through first-principles density functional theory calculations up to 70 GPa. During room temperature compression, no discontinuous changes in the x-ray diffraction pattern or volume were observed, but the lattice parameters displayed highly anomalous trends between 10-22 GPa with enhanced compressibility along the a direction and reduced or even negative compressibility along b and c . Theoretical calculations of valence electron densities at 22 GPa showed that α -Pb F2 underwent a pressure-induced isosymmetric phase transition to a postcotunnite C o2Si structure and also revealed the detailed atomic rearrangements associated with the development of an extra Pb-F bond in the high-pressure phase. Our x-ray results and theoretical calculations are consistent with an isosymmetric phase transition smoothly occurring over 10-22 GPa rather than abruptly as previously suggested. The characteristic values for the cell constants a /c and (a +c )/b , which are used to distinguish among cotunnite-, C o2Si -, and N i2In -type phases, require modification based on our results. An equation of state fit yields a bulk modulus, K0, of 72(3) GPa for the cotunnite-type, and an ambient-pressure volume, V0, of 182 (2 ) Å3 , and K0=81 (4 ) GPa for the C o2Si -type phase when fixing the pressure derivative of the bulk modulus, K0 '=4 . Upon heating above 1200 K at pressures at or above 25.9 GPa, Pb F2 partially transformed to the hexagonal N i2In -type phase but wholly or partially reverted back to C o2Si -type phase upon temperature quench. From 43-65 GPa, nearly complete transformation to the N i2In -type Pb F2 was observed at high temperature, but the material partially transformed back to the orthorhombic phase upon temperature quench. Our results show that high-pressure behavior of Pb F

Polyamorphism in Yb-based metallic glass induced by pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Liangliang; Luo, Qiang; Li, Renfeng

2017-04-25

The Yb 62.5Zn 15Mg 17.5Cu 5 metallic glass is investigated using synchrotron x-ray total scattering method up to 38.4 GPa. The polyamorphic transformation from low density to high density with a transition region between 14.1 and 25.2 GPa is observed, accompanying with a volume collapse reflected by a discontinuousness of isothermal bulk modulus. This collapse is caused by that distortional icosahedron short range order precedes to perfect icosahedron, which might link to Yb 4f electron delocalization upon compression, and match the result of in situ electrical resistance measurement under high pressure conditions. Furthermore, this discovery in Yb-based metallic glass, combinedmore » with the previous reports on other metallic glass systems, demonstrates that pressure induced polyamorphism is the general behavior for typical lanthanide based metallic glasses.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Quanjun; Zhang, Huafang; Cheng, Benyuan

2014-05-21

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 charactermore » 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.« less

Size dependent compressibility of nano-ceria: Minimum near 33 nm

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rodenbough, Philip P.; Chemistry Department, Columbia University, New York, New York 10027; Song, Junhua

2015-04-20

We report the crystallite-size-dependency of the compressibility of nanoceria under hydrostatic pressure for a wide variety of crystallite diameters and comment on the size-based trends indicating an extremum near 33 nm. Uniform nano-crystals of ceria were synthesized by basic precipitation from cerium (III) nitrate. Size-control was achieved by adjusting mixing time and, for larger particles, a subsequent annealing temperature. The nano-crystals were characterized by transmission electron microscopy and standard ambient x-ray diffraction (XRD). Compressibility, or its reciprocal, bulk modulus, was measured with high-pressure XRD at LBL-ALS, using helium, neon, or argon as the pressure-transmitting medium for all samples. As crystallite sizemore » decreased below 100 nm, the bulk modulus first increased, and then decreased, achieving a maximum near a crystallite diameter of 33 nm. We review earlier work and examine several possible explanations for the peaking of bulk modulus at an intermediate crystallite size.« less

Pressure induced structural transitions in CuSbS 2 and CuSbSe 2 thermoelectric compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baker, Jason; Kumar, Ravhi S.; Sneed, Daniel

Here, we investigate the structural behavior of CuSbS 2 and CuSbSe 2 thermoelectric materials under high pressure conditions up to 80 GPa using angle dispersive X-ray diffraction in a diamond anvil cell (DAC). We also perform high pressure Raman spectroscopy measurements up to 16 GPa. We observed a pressure-induced structural transformation from the ambient orthorhombic structure with space group Pnma to a triclinic type structure with space group P1 beginning around 8 GPa in both samples and completing at 13 GPa and 10 GPa in CuSbS 2 and CuSbSe 2, respectively. High pressure Raman experiments complement the transitions observed bymore » high pressure X-ray diffraction (HPXRD). Finally, the transitions were found to be reversible on releasing the pressure to ambient in the DAC. The bulk modulus and compressibility of these materials are further discussed.« less

Pressure induced structural transitions in CuSbS 2 and CuSbSe 2 thermoelectric compounds

DOE PAGES

Baker, Jason; Kumar, Ravhi S.; Sneed, Daniel; ...

2015-04-27

Here, we investigate the structural behavior of CuSbS 2 and CuSbSe 2 thermoelectric materials under high pressure conditions up to 80 GPa using angle dispersive X-ray diffraction in a diamond anvil cell (DAC). We also perform high pressure Raman spectroscopy measurements up to 16 GPa. We observed a pressure-induced structural transformation from the ambient orthorhombic structure with space group Pnma to a triclinic type structure with space group P1 beginning around 8 GPa in both samples and completing at 13 GPa and 10 GPa in CuSbS 2 and CuSbSe 2, respectively. High pressure Raman experiments complement the transitions observed bymore » high pressure X-ray diffraction (HPXRD). Finally, the transitions were found to be reversible on releasing the pressure to ambient in the DAC. The bulk modulus and compressibility of these materials are further discussed.« less

First-principles study of structural stability, electronic, optical and elastic properties of binary intermetallic: PtZr

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pagare, Gitanjali, E-mail: gita-pagare@yahoo.co.in; Jain, Ekta, E-mail: jainekta05@gmail.com; Sanyal, S. P., E-mail: sps.physicsbu@gmail.com

2016-05-06

Structural, electronic, optical and elastic properties of PtZr have been studied using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). The energy against volume and enthalpy vs. pressure variation in three different structures i.e. B{sub 1}, B{sub 2} and B{sub 3} for PtZr has been presented. The equilibrium lattice parameter, bulk modulus and its pressure derivative have been obtained using optimization method for all the three phases. Furthermore, electronic structure was discussed to reveal the metallic character of the present compound. The linear optical properties are also studied under zero pressure for the first time.more » Results on elastic properties are obtained using generalized gradient approximation (GGA) for exchange correlation potentials. Ductile nature of PtZr compound is predicted in accordance with Pugh’s criteria.« less

Pressure-induced Lifshitz and structural transitions in NbAs and TaAs: experiments and theory

NASA Astrophysics Data System (ADS)

Nath Gupta, Satyendra; Singh, Anjali; Pal, Koushik; Muthu, D. V. S.; Shekhar, C.; Elghazali, Moaz A.; Naumov, Pavel G.; Medvedev, Sergey A.; Felser, C.; Waghmare, U. V.; Sood, A. K.

2018-05-01

High pressure Raman, resistivity and synchrotron x-ray diffraction studies on Weyl semimetals NbAs and TaAs have been carried out along with density functional theoretical (DFT) analysis to explain pressure induced structural and electronic topological phase transitions. The frequencies of first order Raman modes harden with increasing pressure, exhibiting a slope change at GPa for NbAs and GPa for TaAs. The resistivities of NbAs and TaAs exhibit a minimum at pressures close to these transition pressures and also a change in the bulk modulus is observed. Our first-principles calculations reveal that the transition is associated with an electronic Lifshitz transition at for NbAs while it is a structural phase transition from body centered tetragonal to hexagonal phase at for TaAs. Further, our DFT calculations show a structural phase transition at 24 GPa from body centered tetragonal phase to hexagonal phase.

Zero Gravity Cryogenic Vent System Concepts for Upper Stages

NASA Technical Reports Server (NTRS)

Flachbart, Robin H.; Holt, James B.; Hastings, Leon J.

1999-01-01

The capability to vent in zero gravity without resettling is a technology need that involves practically all uses of sub-critical cryogenics in space. Venting without resettling would extend cryogenic orbital transfer vehicle capabilities. However, the lack of definition regarding liquid/ullage orientation coupled with the somewhat random nature of the thermal stratification and resulting pressure rise rates, lead to significant technical challenges. Typically a zero gravity vent concept, termed a thermodynamic vent system (TVS), consists of a tank mixer to destratify the propellant, combined with a Joule-Thomson (J-T) valve to extract thermal energy from the propellant. Marshall Space Flight Center's (MSFC's) Multipurpose Hydrogen Test Bed (MHTB) was used to test both spray bar and axial jet TVS concepts. The axial jet system consists of a recirculation pump heat exchanger unit. The spray bar system consists of a recirculation pump, a parallel flow concentric tube, heat exchanger, and a spray bar positioned close to the longitudinal axis of the tank. The operation of both concepts is similar. In the mixing mode, the recirculation pump withdraws liquid from the tank and sprays it into the tank liquid, ullage, and exposed tank surfaces. When energy is required. a small portion of the recirculated liquid is passed sequentially through the J-T expansion valve, the heat exchanger, and is vented overboard. The vented vapor cools the circulated bulk fluid, thereby removing thermal energy and reducing tank pressure. The pump operates alone, cycling on and off, to destratify the tank liquid and ullage until the liquid vapor pressure reaches the lower set point. At that point. the J-T valve begins to cycle on and off with the pump. Thus, for short duration missions, only the mixer may operate, thus minimizing or even eliminating, boil-off losses.

Zero Gravity Cryogenic Vent System Concepts for Upper Stages

NASA Technical Reports Server (NTRS)

Flachbart, Robin H.; Holt, James B.; Hastings, Leon J.

2001-01-01

The capability to vent in zero gravity without resettling is a technology need that involves practically all uses of sub-critical cryogenics in space, and would extend cryogenic orbital transfer vehicle capabilities. However, the lack of definition regarding liquid/ullage orientation coupled with the somewhat random nature of the thermal stratification and resulting pressure rise rates, lead to significant technical challenges. Typically a zero gravity vent concept, termed a thermodynamic vent system (TVS), consists of a tank mixer to destratify the propellant, combined with a Joule-Thomson (J-T) valve to extract thermal energy from the propellant. Marshall Space Flight Center's (MSFC's) Multipurpose Hydrogen Test Bed (MHTB) was used to test both spray-bar and axial jet TVS concepts. The axial jet system consists of a recirculation pump heat exchanger unit. The spray-bar system consists of a recirculation pump, a parallel flow concentric tube heat exchanger, and a spray-bar positioned close to the longitudinal axis of the tank. The operation of both concepts is similar. In the mixing mode, the recirculation pump withdraws liquid from the tank and sprays it into the tank liquid, ullage, and exposed tank surfaces. When energy extraction is required, a small portion of the recirculated liquid is passed sequentially through the J-T expansion valve, the heat exchanger, and is vented overboard. The vented vapor cools the circulated bulk fluid, thereby removing thermal energy and reducing tank pressure. The pump operates alone, cycling on and off, to destratify the tank liquid and ullage until the liquid vapor pressure reaches the lower set point. At that point, the J-T valve begins to cycle on and off with the pump. Thus, for short duration missions, only the mixer may operate, thus minimizing or even eliminating boil-off losses.

Testing of a Spray-Bar Zero Gravity Cryogenic Vent System for Upper Stages

NASA Technical Reports Server (NTRS)

Lak, Tibor; Flachbart, Robin; Nguyen, Han; Martin, James

1999-01-01

The capability to vent in zero gravity without resettling is a fundamental technology need that involves practically all uses of subcritical cryogenics in space. Venting without resettling would extend cryogenic orbital transfer vehicle capabilities. However, the lack of definition regarding liquid/ullage orientation coupled with the somewhat random nature of the thermal stratification and resulting pressure rise rates, lead to significant technical challenges. Typically a zero gravity vent concept, termed a thermodynamic vent system (TVS), consists of a tank mixer to destratify the propellant, combined with a Joule- Thomson (J-T) valve to extract then-nal energy from the propellant. In a cooperative effort, Marshall Space Flight Center's (MSFC's) Multipurpose Hydrogen Test Bed (N4HTB) was used to test a unique "spray bar" TVS system developed by Boeing. A schematic of this system is included in Figure 1. The system consists of a recirculation pump, a parallel flow concentric tube, heat exchanger, and a spray bar positioned close to the longitudinal axis of the tank. In the mixing mode, the recirculation pump withdraws liquid from the tank and sprays it radially into the tank liquid, ullage, and exposed tank surfaces. When energy extraction is required, a small portion of the recirculated liquid is passed sequentially through the J-T expansion valve, the spray bar heat exchanger element, and is vented overboard. The vented vapor cools the circulated bulk fluid, thereby removing thermal energy and reducing tank pressure. Figure 2 is a plot of ullage pressure (P4) and liquid vapor pressure (PSAI) versus time. The pump operates alone, cycling on and off, to destratify the tank liquid and ullage until the liquid vapor pressure reaches the lower set point. At that point, the J-T valve begins to cycle on and off with the pump. Thus, for short duration missions, only the mixer may operate, thus minimizing or even eliminating boil-off losses. The primary advantage of the

High-pressure behaviour of serpentine and elasticity systematics of hydrous and nominally anhydrous phases

NASA Astrophysics Data System (ADS)

Fumagalli, P.; Mookherjee, M.; Stixrude, L. P.

2006-12-01

Serpentine, talc and brucite occur in oceanic crust as alteration products of ultramafic rocks. As mineral phases occurring in the subduction zone setting, both along the slab and within the mantle wedge, they are possible candidates for carrying and tranfer of water to the deep earth. This is manifested by serpentine mud volcanoes, high electrical conductivities, magnetic and seismic anomalies. At high pressure talc transforms to the 10 Å phase. Both the 10 Å phase and serpentine eventually transfer their water content to other dense hydrous magnesium silicates stable at depth greater than 200 km. Most of the mantle's water budget may be contained in nominally anhydrous phases in which hydrogen occurs as non-stoichiometric defects. In order to evaluate the potential for remote detection of mantle water via seismology, we have investigated the elasticity systematics of hydrous phases, supplementing literature data with a new ab initio theoretical study of serpentine. Serpentine shows unusual high-pressure behavior. We predict a symmetry preserving phase transformation involving a proton flip near 25 GPa, and elastic instability at somewhat higher pressures that may be related with experimentally observed amorphization. Results of compression for the low-pressure phase is well represented by a fourth order Birch-Murnaghan finite strain expression with Ko= 81 GPa, Ko'= 9.12 and KoKo"= -142, where K is the bulk modulus, prime indicates pressure derivatives, and O refers to zero pressure. The elastic constant tensor reveals large acoustic anisotropy (41 % in VP) and seismic wave velocities that are significantly higher than those inferred from experiments on serpentinites. We find that serpentine and many other hydrous and nominally anhydrous phases conform closely to generalized Birch's laws in VP, VS, and VB versus density space. Coherent patterns emerge only if hydroxyls are treated as single "atomic" units in the computation of mean atomic weight, suggesting

Effects of pressure, temperature, and treatment time on oscillatory rheological properties and non-isothermal gelatinization kinetics of chickpea (Cicer arietinum L.) flour slurry

NASA Astrophysics Data System (ADS)

Canet, W.; Cuesta, F. J.; Fuentes, R.; Alvarez, M. D.

2017-10-01

The effect of high hydrostatic pressure (HHP), temperature at pressurization, and treatment time at three levels (200, 400, 600 MPa; 10, 25, 50 °C 5, 15, 25 min) on the gelatinization of chickpea flour (CF) slurry during non-isothermal heating from 25 to 95 °C and gel rheological properties after subsequent cooling to 25 °C was investigated. CF gelatinization kinetics from the cross-over of elastic modulus (G’) and viscous modulus (G″) to 95 °C were considered for rate estimation. Zero-order reaction kinetics adequately described the CF gelatinization process. Structure development rate (dG‧/dt) is described by two exponential functions with activation energies ranging from 51.2 to 576.6 and -128.9 to 538.9 kJ mol-1 for downward and upward gelatinization curves, respectively. Changes in dG‧/dt vs. temperature seem to be closely related to the degree of gelatinization induced by HHP pre-treatment.

Pressure induced phase transformations in NaZr{sub 2}(PO{sub 4}){sub 3} studied by X-ray diffraction and Raman spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kamali, K.; Ravindran, T.R., E-mail: trr@igcar.gov.in; Chandra Shekar, N.V.

2015-01-15

Raman spectroscopic and x-ray diffraction measurements on NaZr{sub 2}(PO{sub 4}){sub 3} were carried out up to 30 GPa at close intervals of pressure, revealing two structural phase transformations around 5 and 6.6 GPa. The second phase at 5.4 GPa is indexed to R3 space group similar to that of RbTi{sub 2}(PO{sub 4}){sub 3}. Bulk modulus decreases abruptly from 53 GPa (B′=4) to 36 GPa (B′=4) in the second phase above 5 GPa. The structure of the phase III at 8.2 GPa is indexed as orthorhombic similar to the case of high temperature phase of monoclinic LiZr{sub 2}(PO{sub 4}){sub 3}. Bulkmore » modulus of this phase III is found to be 65 GPa (B′=4), which is higher than that of the ambient phase. In high pressure Raman studies, modes corresponding to 72 and 112 cm{sup −1} soften in the ambient phase whereas around 5 GPa, the ones at 60, 105, 125 and 190 cm{sup −1} soften with pressure contributing negatively to overall thermal expansion. - Graphical abstract: High pressure study of NaZr{sub 2}(PO{sub 4}){sub 3} shows a reversible phase transition from R-3c to R3 structure at 5 GPa accompanied by an increase in compressibility signaling a polyhedral tilt transition. - Highlights: • NaZr{sub 2}(PO{sub 4}){sub 3} undergoes two reversible phase transitions at 5 and 6.7 GPa. • The transition at 5 is from rhombohedral R-3c to R3 structure. • Bulk modulus of NaZr{sub 2}(PO{sub 4}){sub 3} is lower than that for the isostructural RbTi{sub 2}(PO{sub 4}){sub 3.} • Compressibility increases with substitution of a smaller cation (Na). • Zr-translational and PO{sub 4} librational modes contribute to phase transition.« less

Pressure-induced polymerization of P(CN) 3

DOE PAGES

Gou, Huiyang; Yonke, Brendan L.; Epshteyn, Albert; ...

2015-05-21

Motivated to explore the formation of novel extended carbon-nitrogen solids via well-defined molecular precursor pathways, we studied the chemical reactivity of highly pure phosphorous tricyanide, P(CN) 3, under conditions of high pressure at room temperature. Raman and infrared (IR) spectroscopic measurements reveal a series of phase transformations below 10 GPa, and several low-frequency vibrational modes are reported for the first time. Synchrotron powder Xray diffraction (PXRD) measurements taken during compression show that molecular P(CN) 3 is highly compressible with a bulk modulus of 10.0±0.3 GPa and polymerizes into an amorphous solid above ~10.0 GPa. Raman and infrared (IR) spectra, togethermore » with first-principles molecular-dynamics simulations, show that the amorphization transition is associated with polymerization of the cyanide groups into CN bonds with predominantly sp 2 character, similar to known carbon nitrides, resulting in a novel PCN polymeric phase, which is recoverable to ambient pressure.« less

Nanoindentation study of bulk zirconium hydrides at elevated temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cinbiz, Mahmut Nedim; Balooch, Mehdi; Hu, Xunxiang

Here, the mechanical properties of zirconium hydrides was studied using nano-indentation technique at a temperature range of 25 – 400 °C. Temperature dependency of reduced elastic modulus and hardness of δ- and ε-zirconium hydrides were obtained by conducting nanoindentation experiments on the bulk hydride samples with independently heating capability of indenter and heating stage. The reduced elastic modulus of δ-zirconium hydride (H/Zr ratio =1.61) decreased from ~113 GPa to ~109 GPa while temperature increased from room temperature to 400°C. For ε-zirconium hydrides (H/Zr ratio=1.79), the reduced elastic modulus decreased from 61 GPa to 54 GPa as temperature increased from roommore » temperature to 300 °C. Whereas, hardness of δ-zirconium hydride significantly decreased from 4.1 GPa to 2.41 GPa when temperature increased from room temperature to 400 °C. Similarly, hardness of ε-zirconium hydride decreased from 3.06 GPa to 2.19 GPa with temperature increase from room temperature to 300°C.« less

Nanoindentation study of bulk zirconium hydrides at elevated temperatures

DOE PAGES

Cinbiz, Mahmut Nedim; Balooch, Mehdi; Hu, Xunxiang; ...

2017-08-02

Here, the mechanical properties of zirconium hydrides was studied using nano-indentation technique at a temperature range of 25 – 400 °C. Temperature dependency of reduced elastic modulus and hardness of δ- and ε-zirconium hydrides were obtained by conducting nanoindentation experiments on the bulk hydride samples with independently heating capability of indenter and heating stage. The reduced elastic modulus of δ-zirconium hydride (H/Zr ratio =1.61) decreased from ~113 GPa to ~109 GPa while temperature increased from room temperature to 400°C. For ε-zirconium hydrides (H/Zr ratio=1.79), the reduced elastic modulus decreased from 61 GPa to 54 GPa as temperature increased from roommore » temperature to 300 °C. Whereas, hardness of δ-zirconium hydride significantly decreased from 4.1 GPa to 2.41 GPa when temperature increased from room temperature to 400 °C. Similarly, hardness of ε-zirconium hydride decreased from 3.06 GPa to 2.19 GPa with temperature increase from room temperature to 300°C.« less

Boron monosulfide: Equation of state and pressure-induced phase transition

NASA Astrophysics Data System (ADS)

Cherednichenko, K. A.; Kruglov, I. A.; Oganov, A. R.; Le Godec, Y.; Mezouar, M.; Solozhenko, V. L.

2018-04-01

Quasi-hydrostatic compression of rhombohedral boron monosulfide (r-BS) has been studied up to 50 GPa at room temperature using diamond-anvil cells and angle-dispersive synchrotron X-ray diffraction. A fit of the experimental P-V data to the Vinet equation of state yields the bulk modulus B0 of 42.2(1.4) GPa and its first pressure derivative B0' of 7.6(2) that are in excellent agreement with our ab initio calculations. Formation of a new high-pressure phase of boron monosulfide (hp-BS) has been observed above 35 GPa. According to ab initio evolutionary crystal structure predictions combined with Rietveld refinement of high-pressure X-ray diffraction data, the structure of hp-BS has trigonal symmetry and belongs to the space group P-3m1. As it follows from the electron density of state calculations, the phase transformation is accompanied by an insulator-metal transition.

AC conductivity and dielectric behavior of bulk Furfurylidenemalononitrile

NASA Astrophysics Data System (ADS)

El-Nahass, M. M.; Ali, H. A. M.

2012-06-01

AC conductivity and dielectric behavior for bulk Furfurylidenemalononitrile have been studied over a temperature range (293-333 K) and frequency range (50-5×106 Hz). The frequency dependence of ac conductivity, σac, has been investigated by the universal power law, σac(ω)=Aωs. The variation of the frequency exponent (s) with temperature was analyzed in terms of different conduction mechanisms, and it was found that the correlated barrier hopping (CBH) model is the predominant conduction mechanism. The temperature dependence of σac(ω) showed a linear increase with the increase in temperature at different frequencies. The ac activation energy was determined at different frequencies. Dielectric data were analyzed using complex permittivity and complex electric modulus for bulk Furfurylidenemalononitrile at various temperatures.

Structural stability and phase transition of Bi 2 Te 3 under high pressure and low temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, J. L.; Zhang, S. J.; Zhu, J. L.

2017-09-01

Structural stability and phase transition of topological insulator Bi2Te3 were studied via angle-dispersive synchrotron radiation X-ray diffraction under high pressure and low temperature condition. The results manifest that the R-3m phase (phase I) is stable at 8 K over the pressure range up to 10 GPa and phase transition occurs between 8 K and 45 K at 8 GPa. According to the Birch-Murnaghan equation of state, the bulk modulus at ambient pressure B0 was estimated to be 45 ± 3 GPa with the assumption of B0' = 4. The structural robustness of phase I at 8 K suggests that themore » superconductivity below 10 GPa is related to phase I. Topological properties of superconducting Bi2Te3 phase under pressure were discussed.« less

First-principles study on the structural, elastic and electronic properties of Ti4N3 and Ti6N5 under high pressure

NASA Astrophysics Data System (ADS)

Yang, Ruike; Chai, Bao; Zhu, Chuanshuai; Wei, Qun; Du, Zheng

2017-12-01

The structural, elastic and electronic properties of Ti4N3 and Ti6N5 have been systematically studied by first-principles calculations based on density functional theory (DFT) with generalized gradient approximation (GGA) and local density approximation (LDA). Basic physical properties for Ti4N3 and Ti6N5, such as the lattice constants, the bulk modulus, shear modulus, and elastic constants are calculated. The results show that Ti4N3 and Ti6N5 are mechanically stable under ambient pressure. The phonon dispersion spectra are researched throughout the Brillouin zone via the linear response approach as implemented in the CASTEP code, which indicate the optimized structures are stable dynamically. The Young’s modulus E and Poisson’s ratios ν are also determined within the framework of the Voigt-Reuss-Hill approximation. The analyses show that Ti4N3 is more ductile than Ti6N5 at the same pressure and ductility increases as the pressure increases. Moreover, the anisotropies of the Ti4N3 and Ti6N5 are discussed by the Young’s modulus at different directions, and the results indicate that the anisotropy of the two Ti-N compounds is obvious. The total density of states (TDOS) and partial density of states (PDOS) show that the TDOS of TiN, Ti4N3 and Ti6N5 originate mainly from Ti “d” and N “p” states. The results show that Ti4N3 and Ti6N5 present semimetal character. Pressure makes the level range of DOS significantly extended, for TiN, Ti4N3 and Ti6N5. The TDOS decreases with the pressure rise, at Fermi level.

Mechanical characterization of bulk Sylgard 184 for microfluidics and microengineering

NASA Astrophysics Data System (ADS)

Johnston, I. D.; McCluskey, D. K.; Tan, C. K. L.; Tracey, M. C.

2014-03-01

Polydimethylsiloxane (PDMS) elastomers are extensively used for soft lithographic replication of microstructures in microfluidic and micro-engineering applications. Elastomeric microstructures are commonly required to fulfil an explicit mechanical role and accordingly their mechanical properties can critically affect device performance. The mechanical properties of elastomers are known to vary with both curing and operational temperatures. However, even for the elastomer most commonly employed in microfluidic applications, Sylgard 184, only a very limited range of data exists regarding the variation in mechanical properties of bulk PDMS with curing temperature. We report an investigation of the variation in the mechanical properties of bulk Sylgard 184 with curing temperature, over the range 25 °C to 200 °C. PDMS samples for tensile and compressive testing were fabricated according to ASTM standards. Data obtained indicates variation in mechanical properties due to curing temperature for Young's modulus of 1.32-2.97 MPa, ultimate tensile strength of 3.51-7.65 MPa, compressive modulus of 117.8-186.9 MPa and ultimate compressive strength of 28.4-51.7 GPa in a range up to 40% strain and hardness of 44-54 ShA.

Impedance and electric modulus approaches to investigate four origins of giant dielectric constant in CaCu3Ti4O12 ceramics

NASA Astrophysics Data System (ADS)

Yuan, Wen-Xiang

2012-03-01

The frequency dependence of electric modulus of polycrystalline CaCu3Ti4O12 (CCTO) ceramics has been investigated. The experimental data have also been analyzed in the complex plane of impedance and electric modulus, and a suitable equivalent circuit has been proposed to explain the dielectric response. Four dielectric responses are first distinguished in the impedance and modulus spectroscopies. The results are well interpreted in terms of a triple insulating barrier capacitor model. Using this model, these four dielectric relaxations are attributed to the domain, domain-boundary, grain-boundary, and surface layer effects with three Maxwell-Wagner relaxations. Moreover, the values of the resistance and capacitance of bulk CCTO phase, domain-boundary, grain-boundary and surface layer contributions have been calculated directly from the peak characteristics of spectroscopic plots.

Osmosis-Based Pressure Generation: Dynamics and Application

PubMed Central

Li, Suyi; Billeh, Yazan N.; Wang, K. W.; Mayer, Michael

2014-01-01

This paper describes osmotically-driven pressure generation in a membrane-bound compartment while taking into account volume expansion, solute dilution, surface area to volume ratio, membrane hydraulic permeability, and changes in osmotic gradient, bulk modulus, and degree of membrane fouling. The emphasis lies on the dynamics of pressure generation; these dynamics have not previously been described in detail. Experimental results are compared to and supported by numerical simulations, which we make accessible as an open source tool. This approach reveals unintuitive results about the quantitative dependence of the speed of pressure generation on the relevant and interdependent parameters that will be encountered in most osmotically-driven pressure generators. For instance, restricting the volume expansion of a compartment allows it to generate its first 5 kPa of pressure seven times faster than without a restraint. In addition, this dynamics study shows that plants are near-ideal osmotic pressure generators, as they are composed of many small compartments with large surface area to volume ratios and strong cell wall reinforcements. Finally, we demonstrate two applications of an osmosis-based pressure generator: actuation of a soft robot and continuous volume delivery over long periods of time. Both applications do not need an external power source but rather take advantage of the energy released upon watering the pressure generators. PMID:24614529

Test Data Analysis of a Spray Bar Zero-Gravity Liquid Hydrogen Vent System for Upper Stages

NASA Technical Reports Server (NTRS)

Hedayat, A.; Bailey, J. W.; Hastings, L. J.; Flachbart, R. H.

2003-01-01

To support development of a zero-gravity pressure control capability for liquid hydrogen (LH2), a series of thermodynamic venting system (TVS) tests was conducted in 1996 and 1998 using the Marshall Space Flight Center (MSFC) multipurpose hydrogen test bed (MHTB). These tests were performed with ambient heat leaks =20 and 50 W for tank fill levels of 90%, 50%, and 25%. TVS performance testing revealed that the spray bar was highly effective in providing tank pressure control within a 7-kPa band (131-138 Wa), and complete destratification of the liquid and the ullage was achieved with all test conditions. Seven of the MHTB tests were correlated with the TVS performance analytical model. The tests were selected to encompass the range of tank fill levels, ambient heat leaks, operational modes, and ullage pressurants. The TVS model predicted ullage pressure and temperature and bulk liquid saturation pressure and temperature obtained from the TVS model were compared with the test data. During extended self-pressurization periods, following tank lockup, the model predicted faster pressure rise rates than were measured. However, once the system entered the cyclic mixing/venting operational mode, the modeled and measured data were quite similar.

Challenging the Standard Model: Equation of State of Natural Peridotite at Lower-Mantle Conditions

NASA Astrophysics Data System (ADS)

Jeanloz, R.; Lee, K. K.; Shim, S.

2002-12-01

High-resolution x-ray diffraction of natural peridotite, before and after (subsolidus) laser heating at pressures as high as 107 GPa, yields results challenging the paradigm that the Earth's mantle is a homogeneously mixed layer having the bulk composition of pyrolite. The starting material for the experiments is representative of fertile upper mantle, and is indistinguishable from Ringwood's pyrolite compositions. It transforms to an assemblage of 76 (2)% (Mg0.88Fe0.06Al0.12Si0.94)O3 orthorhombic perovskite (opv) by volume at zero pressure, 17 (2)% (Mg0.80Fe0.20)O magnesiow\\x81stite (mw) and 7 (1)% CaSiO3 perovskite (cpv), and room-temperature isotherms for each phase within the assemblage are in good agreement with past results on the individual mineral phases. Different measurement techniques yield reproducible results, with the observed scatter being well explained by the (small) compositional variations within the mineral phases of the natural starting material. We find values of the opv/mw Fe/Mg partition coefficient consistent with prior results, 0.20 (0.10) with no evidence of any pressure dependence, and recent work on CaSiO3 perovskite shows that its structure exhibits slight tetragonal distortion at lower-mantle pressures. The thermal equation of state of the high-pressure assemblage, described in terms of the Debye temperature, Gruneisen parameter and its volume dependence, is well determined if past measurements at high pressures and temperatures are reanalysed in terms of internally-consistent calibration standards. In particular, one model for the thermal equation of state of gold that has been used to calibrate several key experiments is faulty and yields biased results. Our re-analysis shows that all experiments point to relatively high values for the thermal expansion of opv (hence of the entire high-pressure assemblage), compatible with earlier rather than more recent analyses. The resulting high-pressure, high-temperature bulk modulus of the

Implicit Large-Eddy Simulations of Zero-Pressure Gradient, Turbulent Boundary Layer

NASA Technical Reports Server (NTRS)

Sekhar, Susheel; Mansour, Nagi N.

2015-01-01

A set of direct simulations of zero-pressure gradient, turbulent boundary layer flows are conducted using various span widths (62-630 wall units), to document their influence on the generated turbulence. The FDL3DI code that solves compressible Navier-Stokes equations using high-order compact-difference scheme and filter, with the standard recycling/rescaling method of turbulence generation, is used. Results are analyzed at two different Re values (500 and 1,400), and compared with spectral DNS data. They show that a minimum span width is required for the mere initiation of numerical turbulence. Narrower domains ((is) less than 100 w.u.) result in relaminarization. Wider spans ((is) greater than 600 w.u.) are required for the turbulent statistics to match reference DNS. The upper-wall boundary condition for this setup spawns marginal deviations in the mean velocity and Reynolds stress profiles, particularly in the buffer region.

Elastic Modulus Determination of Normal and Glaucomatous Human Trabecular Meshwork

PubMed Central

Last, Julie A.; Pan, Tingrui; Ding, Yuzhe; Reilly, Christopher M.; Keller, Kate; Acott, Ted S.; Fautsch, Michael P.; Murphy, Christopher J.; Russell, Paul

2011-01-01

Purpose. Elevated intraocular pressure (IOP) is a risk factor for glaucoma. The principal outflow pathway for aqueous humor in the human eye is through the trabecular meshwork (HTM) and Schlemm's canal (SC). The junction between the HTM and SC is thought to have a significant role in the regulation of IOP. A possible mechanism for the increased resistance to flow in glaucomatous eyes is an increase in stiffness (increased elastic modulus) of the HTM. In this study, the stiffness of the HTM in normal and glaucomatous tissue was compared, and a mathematical model was developed to predict the impact of changes in stiffness of the juxtacanalicular layer of HTM on flow dynamics through this region. Methods. Atomic force microscopy (AFM) was used to measure the elastic modulus of normal and glaucomatous HTM. According to these results, a model was developed that simulated the juxtacanalicular layer of the HTM as a flexible membrane with embedded pores. Results. The mean elastic modulus increased substantially in the glaucomatous HTM (mean = 80.8 kPa) compared with that in the normal HTM (mean = 4.0 kPa). Regional variation was identified across the glaucomatous HTM, possibly corresponding to the disease state. Mathematical modeling suggested an increased flow resistance with increasing HTM modulus. Conclusions. The data indicate that the stiffness of glaucomatous HTM is significantly increased compared with that of normal HTM. Modeling exercises support substantial impairment in outflow facility with increased HTM stiffness. Alterations in the biophysical attributes of the HTM may participate directly in the onset and progression of glaucoma. PMID:21220561

Pressure-induced Lifshitz and structural transitions in NbAs and TaAs: experiments and theory.

PubMed

Gupta, Satyendra Nath; Singh, Anjali; Pal, Koushik; Muthu, D V S; Shekhar, C; Elghazali, Moaz A; Naumov, Pavel G; Medvedev, Sergey A; Felser, C; Waghmare, U V; Sood, A K

2018-05-10

High pressure Raman, resistivity and synchrotron x-ray diffraction studies on Weyl semimetals NbAs and TaAs have been carried out along with density functional theoretical (DFT) analysis to explain pressure induced structural and electronic topological phase transitions. The frequencies of first order Raman modes harden with increasing pressure, exhibiting a slope change at [Formula: see text] GPa for NbAs and [Formula: see text] GPa for TaAs. The resistivities of NbAs and TaAs exhibit a minimum at pressures close to these transition pressures and also a change in the bulk modulus is observed. Our first-principles calculations reveal that the transition is associated with an electronic Lifshitz transition at [Formula: see text] for NbAs while it is a structural phase transition from body centered tetragonal to hexagonal phase at [Formula: see text] for TaAs. Further, our DFT calculations show a structural phase transition at 24 GPa from body centered tetragonal phase to hexagonal phase.

Gd Ba Cu O bulk superconductors fabricated by a seeded infiltration growth technique under reduced oxygen partial pressure

NASA Astrophysics Data System (ADS)

Iida, K.; Babu, N. H.; Shi, Y. H.; Cardwell, D. A.; Murakami, M.

2006-06-01

Single-grain Gd-Ba-Cu-O (GdBCO) bulk superconductors have been grown by a seeded infiltration and growth (SIG) technique under a 1% O2+N2 atmosphere using a generic MgO-doped Nd-Ba-Cu-O (MgO-NdBCO) seed placed on the sample surface at room temperature (the so-called the cold-seeding method). Partial melting of the MgO-NdBCO seeds fabricated in air under notionally identical thermal processing conditions, however, limited the reliability of this bulk GdBCO single-grain process. The observed seed decomposition is attributed to the dependence of the peritectic temperature Tp of MgO-doped Nd1+xBa2-xCu3Oy solid solution (MgO-doped Nd-123ss, where ss indicates solid solution) compounds on both oxygen partial pressure during the melt process and the level of solid solution (x). The peritectic decomposition temperature of MgO-doped Nd-123ss, with x ranging from 0 to 0.5 under p(O2) = 1.00 atm, was observed to remain constant at 1120 °C. Tp was observed to decrease linearly as a function of solid solution level, on the other hand, under oxygen partial pressures of both p(O2) = 0.21 and 0.01 atm. Based on these results, MgO-doped NdBCO seed crystals should be grown under reduced oxygen partial pressure in order to obtain a stable MgO-doped NdBCO seed crystal suitable for cold-seeding processes of large-grain (RE)BCO bulk superconductors (where RE is a rare earth element).

"Zero-Mass" Noninvasive Pressure Transducers

NASA Technical Reports Server (NTRS)

Hartley, Frank T.

2009-01-01

Extremely lightweight, compact, noninvasive, rugged, relatively inexpensive strain-gauge transducers have been developed for use in measuring pressures of fluids in tubes. These gauges were originally intended for measuring pressures of spacecraft-propulsion fluids, but they are also attractive for use in numerous terrestrial applications especially those involving fluids that are extremely chemically reactive, fluids that must be isolated for hygienic purposes, fluids that must be allowed to flow without obstruction, and fluid-containing tubes exposed to severe environments. A basic pressure transducer of this type comprises one or more pair(s) of thin-film strain gauges integral with a tube that contains the fluid of interest. Following established strain-gauge practice, the gauges in each pair are connected into opposite arms of a Wheatstone bridge (see figure). Typically, each pressure transducer includes one pair (the active pair) of strain gauges for measuring the hoop stress proportional to the pressure of the fluid in the tube and another pair (the dummy pair) of strain gauges that are nominally unstrained: The dummy gauges are mounted on a substrate that is made of the same material as that of the tube. The substrate is welded to the tube at only one spot so that stresses and strains are not coupled from the tube into the substrate. The dummy strain gauges measure neutral strains (basically, strains associated with thermal expansion), so that the neutral-strain contribution can be subtracted out of the final gauge reading.

A Study of the Development of Steady and Periodic Unsteady Turbulent Wakes Through Curved Channels at Positive, Zero, and Negative Streamwise Pressure Gradients, Part 1

NASA Technical Reports Server (NTRS)

Schobeiri, M. T.; John, J.

1996-01-01

The turbomachinery wake flow development is largely influenced by streamline curvature and streamwise pressure gradient. The objective of this investigation is to study the development of the wake under the influence of streamline curvature and streamwise pressure gradient. The experimental investigation is carried out in two phases. The first phase involves the study of the wake behind a stationary circular cylinder (steady wake) in curved channels at positive, zero, and negative streamwise pressure gradients. The mean velocity and Reynolds stress components are measured using a X-hot-film probe. The measured quantities obtained in probe coordinates are transformed to a curvilinear coordinate system along the wake centerline and are presented in similarity coordinates. The results of the steady wakes suggest strong asymmetry in velocity and Reynolds stress components. However, the velocity defect profiles in similarity coordinates are almost symmetrical and follow the same distribution as the zero pressure gradient straight wake. The results of Reynolds stress distributions show higher values on the inner side of the wake than the outer side. Other quantities, including the decay of maximum velocity defect, growth of wake width, and wake integral parameters, are also presented for the three different pressure gradient cases of steady wake. The decay rate of velocity defect is fastest for the negative streamwise pressure gradient case and slowest for the positive pressure gradient case. Conversely, the growth of the wake width is fastest for the positive streamwise pressure gradient case and slowest for the negative streamwise pressure gradient. The second phase studies the development of periodic unsteady wakes generated by the circular cylinders of the rotating wake generator in a curved channel at zero streamwise pressure gradient. Instantaneous velocity components of the periodic unsteady wakes, measured with a stationary X-hot-film probe, are analyzed by the

In-situ high-pressure x-ray diffraction study of zinc ferrite nanoparticles

DOE PAGES

Ferrari, S.; Kumar, R. S.; Grinblat, F.; ...

2016-04-23

We have studied the high-pressure structural behavior of zinc ferrite (ZnFe 2O 4) nanoparticles by powder X-ray diffraction measurements up to 47 GPa. We found that the cubic spinel structure of ZnFe 2O 4 remains up to 33 GPa and a phase transition is induced beyond this pressure. The high-pressure phase is indexed to an orthorhombic CaMn 2O 4-type structure. Upon decompression the low- and high-pressure phases coexist. The compressibility of both structures was also investigated. We have observed that the lattice parameters of the high-pressure phase behave anisotropically upon compression. Further, we predict possible phase transition around 55 GPa.more » For comparison, we also studied the compression behavior of magnetite (Fe 3O 4) nanoparticles by X-ray diffraction up to 23 GPa. Spinel-type ZnFe 2O 4 and Fe 3O 4 nanoparticles have a bulk modulus of 172 (20) GPa and 152 (9) GPa, respectively. Lastly, this indicates that in both cases the nanoparticles do not undergo a Hall-Petch strengthening.« less

In-situ high-pressure x-ray diffraction study of zinc ferrite nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ferrari, S.; Kumar, R. S.; Grinblat, F.

We have studied the high-pressure structural behavior of zinc ferrite (ZnFe 2O 4) nanoparticles by powder X-ray diffraction measurements up to 47 GPa. We found that the cubic spinel structure of ZnFe 2O 4 remains up to 33 GPa and a phase transition is induced beyond this pressure. The high-pressure phase is indexed to an orthorhombic CaMn 2O 4-type structure. Upon decompression the low- and high-pressure phases coexist. The compressibility of both structures was also investigated. We have observed that the lattice parameters of the high-pressure phase behave anisotropically upon compression. Further, we predict possible phase transition around 55 GPa.more » For comparison, we also studied the compression behavior of magnetite (Fe 3O 4) nanoparticles by X-ray diffraction up to 23 GPa. Spinel-type ZnFe 2O 4 and Fe 3O 4 nanoparticles have a bulk modulus of 172 (20) GPa and 152 (9) GPa, respectively. Lastly, this indicates that in both cases the nanoparticles do not undergo a Hall-Petch strengthening.« less

In-situ high-pressure powder X-ray diffraction study of α-zirconium phosphate.

PubMed

Readman, Jennifer E; Lennie, Alistair; Hriljac, Joseph A

2014-06-01

The high-pressure structural chemistry of α-zirconium phosphate, α-Zr(HPO4)2·H2O, was studied using in-situ high-pressure diffraction and synchrotron radiation. The layered phosphate was studied under both hydrostatic and non-hydrostatic conditions and Rietveld refinement carried out on the resulting diffraction patterns. It was found that under hydrostatic conditions no uptake of additional water molecules from the pressure-transmitting medium occurred, contrary to what had previously been observed with some zeolite materials and a layered titanium phosphate. Under hydrostatic conditions the sample remained crystalline up to 10 GPa, but under non-hydrostatic conditions the sample amorphized between 7.3 and 9.5 GPa. The calculated bulk modulus, K0 = 15.2 GPa, showed the material to be very compressible with the weak linkages in the structure of the type Zr-O-P.

Electronic structure, mechanical and thermodynamic properties of BaPaO3 under pressure.

PubMed

Khandy, Shakeel Ahmad; Islam, Ishtihadah; Gupta, Dinesh C; Laref, Amel

2018-05-07

Density functional theory (DFT)-based investigations have been put forward on the elastic, mechanical, and thermo-dynamical properties of BaPaO 3 . The pressure dependence of electronic band structure and other physical properties has been carefully analyzed. The increase in Bulk modulus and decrease in lattice constant is seen on going from 0 to 30 GPa. The predicted lattice constants describe this material as anisotropic and ductile in nature at ambient conditions. Post-DFT calculations using quasi-harmonic Debye model are employed to envisage the pressure-dependent thermodynamic properties like Debye temperature, specific heat capacity, Grüneisen parameter, thermal expansion, etc. Also, the computed Debye temperature and melting temperature of BaPaO 3 at 0 K are 523 K and 1764.75 K, respectively.

Study of phonon modes and elastic properties of Sc36Al24Co20Y20 and Gd36Al24Co20Y20 rare-earth bulk metallic glasses

NASA Astrophysics Data System (ADS)

Suthar, P. H.; Gajjar, P. N.; Thakore, B. Y.; Jani, A. R.

2013-04-01

A phonon modes and elastic properties of two different rare-earth based bulk metallic glasses Sc36Al24Co20Y20 and Gd36Al24Co20Y20 are computed using Hubbard-Beeby approach and our well established model potential. The local field correlation functions due to Hartree (H), Taylor (T), Ichimaru and Utsumi (IU), Farid et al (F) and Sarkar Sen et al (S) are employed to investigate the influence of the screening effects on the vibrational dynamics of Sc36Al24Co20Y20 and Gd36Al24Co20Y20 bulk metallic glasses. The results for bulk modulus BT, modulus of rigidity G, Poisson's ratio ξ, Young's modulus Y, Debye temperature ΘD, propagation velocity of elastic waves and dispersion curves are reported. The computed elastic properties are found to be in good agreement with experimental and other available data.

Effective response theory for zero-energy Majorana bound states in three spatial dimensions

NASA Astrophysics Data System (ADS)

Lopes, Pedro L. e. S.; Teo, Jeffrey C. Y.; Ryu, Shinsei

2015-05-01

We propose a gravitational response theory for point defects (hedgehogs) binding Majorana zero modes in (3 + 1)-dimensional superconductors. Starting in 4 + 1 dimensions, where the point defect is extended into a line, a coupling of the bulk defect texture with the gravitational field is introduced. Diffeomorphism invariance then leads to an S U (2) 2 Kac-Moody current running along the defect line. The S U (2) 2 Kac-Moody algebra accounts for the non-Abelian nature of the zero modes in 3 + 1 dimensions. It is then shown to also encode the angular momentum density which permeates throughout the bulk between hedgehog-antihedgehog pairs.

First-principles study of the structural, electronic and thermal properties of CaLiF3

NASA Astrophysics Data System (ADS)

Chouit, N.; Amara Korba, S.; Slimani, M.; Meradji, H.; Ghemid, S.; Khenata, R.

2013-09-01

Density functional theory calculations have been performed to study the structural, electronic and optical properties of CaLiF3 cubic fluoroperovskite. Our calculations were carried out by means of the full-potential linearized augmented plane-wave method. The exchange-correlation potential is treated by the local density approximation and the generalized gradient approximation (GGA) (Perdew, Burke and Ernzerhof). Moreover, the alternative form of GGA proposed by Engel and Vosko is also used for band structure calculations. The calculated total energy versus volume allows us to obtain structural properties such as the lattice constant (a0), bulk modulus (B0) and pressure derivative of the bulk modulus (B'0 ). Band structure, density of states and band gap pressure coefficients are also given. Our calculations show that CaLiF3 has an indirect band gap (R-Γ). Following the quasi-harmonic Debye model, in which the phononic effects are considered, the temperature and pressure effects on the lattice constant, bulk modulus, thermal expansion coefficient, Debye temperature and heat capacities are calculated.

Characteristics of zero-absenteeism in hospital care.

PubMed

Schreuder, J A H; Roelen, C A M; van der Klink, J J L; Groothoff, J W

2013-06-01

Literature on sickness presenteeism is emerging, but still little is known about employees who are never absent from work due to injuries or illness. Insight into the determinants and characteristics of such zero-absentees may provide clues for preventing sickness absence. To investigate the characteristics of zero-absentees, defined as employees without sickness absence over a period of 5 years. A mixed-method qualitative study comprising semi-structured interviews and focus groups for which Azjen and Fishbein's theory of planned behaviour was used as a framework. Zero-absentees working in hospital care were invited for semi-structured interviews until saturation was reached. The results of semi-structured interviews were validated in two focus groups. Of 1053 hospital employees, 47 were zero-absentees of whom 31 (66%) agreed to participate in the study. After 16 semi-structured interviews, no new insights or information were gathered from the interviews. The remaining 15 employees were invited to two (n = 8 and n = 7) focus groups. Personal attitudes and self-efficacy were more important in zero-absenteeism than social pressures of managers, colleagues or patients. Zero-absentees were found to be intrinsically motivated to try attending work when ill. In the present study population of hospital employees, we found indications that zero-absenteeism and sickness presenteeism might be different types of work attendance. Managers should realize that zero-absentees are driven by intrinsic motivation rather than social pressures to attend work.

Full potential study of the elastic, electronic, and optical properties of spinels MgIn{sub 2}S{sub 4} and CdIn{sub 2}S{sub 4} under pressure effect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Semari, F.; Khenata, R.; Depatment of Physics and Astronomy, King Saud University, PO Box 2455, Riyadh 11451

2010-12-15

The structural, elastic, electronic, and optical properties of cubic spinel MgIn{sub 2}S{sub 4} and CdIn{sub 2}S{sub 4} compounds have been calculated using a full relativistic version of the full-potential linearized-augmented plane wave with the mixed basis FP/APW+lo method. The exchange and correlation potential is treated by the generalized-gradient approximation (GGA). Moreover, the Engel-Vosko GGA formalism is also applied to optimize the corresponding potential for band structure calculations. The ground state properties, including the lattice constants, the internal parameter, the bulk modulus, and the pressure derivative of the bulk modulus are in reasonable agreement with the available data. Using the totalmore » energy-strain technique, we have determined the full set of first-order elastic constants C{sub ij} and their pressure dependence, which have not been calculated or measured yet. The shear modulus, Young's modulus, and Poisson's ratio are calculated for polycrystalline XIn{sub 2}S{sub 4} aggregates. The Debye temperature is estimated from the average sound velocity. Electronic band structures show a direct band gap ({Gamma}-{Gamma}) for MgIn{sub 2}S{sub 4} and an indirect band gap (K-{Gamma}) for CdIn{sub 2}S{sub 4}. The calculated band gaps with EVGGA show a significant improvement over the GGA. The optical constants, including the dielectric function {epsilon}({omega}), the refractive index n({omega}), the reflectivity R({omega}), and the energy loss function L({omega}) were calculated for radiation up to 30 eV. -- Graphical abstract: Calculated total and partial densities of states for MgIn{sub 2}S{sub 4} and CdIn{sub 2}S{sub 4}« less

LB03.04: SPHYGMOMANOMETER CUFF CONSTRUCTION AND MATERIALS AFFECT TRANSMISSION OF PRESSURE FROM CUFF TO ARTERIAL WALL. FINITE ELEMENT ANALYSIS OF HUMAN PRESSURE MEASUREMENTS AND DICOM DATA.

PubMed

Lewis, P; Naqvi, S; Mandal, P; Potluri, P

2015-06-01

Sphygmomanometer cuff pressure during deflation is assumed to equal systolic arterial pressure at the point of resumption of flow. Previous studies demonstrated that pressure decreases with increasing depth of soft tissues whilst visco-elastic characteristics of the arm tissue cause spatial and temporal variation in pressure magnitude. These generally used non-anatomical axisymmetrical arm simulations without incorporating arterial pressure variation. We used data from a volunteer's Magnetic Resonance (MR) arm scan and investigated the effect of variations in cuff materials and construction on the simulated transmission of pressure from under the cuff to the arterial wall under sinusoidal flow conditions. Pressure was measured under 8 different cuffs using Oxford Pressure Monitor Sensors placed at 90 degrees around the mid upper arm of a healthy male. Each cuff was inflated 3 times to 155 mmHg and then deflated to zero with 90 seconds between inflations. Young's modulus, flexural rigidity and thickness of each cuff was measured.Using DICOM data from the MR scan of the arm, a 3D model was derived using ScanIP and imported into Abaqus for Finite Element Analysis (FEA). Published mechanical properties of arm tissues and geometric non-linearity were assumed. The measured sub-cuff pressures were applied to the simulated arm and pressure was calculated around the brachial arterial wall. which was loaded with a sinusoidal pressure of 125/85 mmHg. FEA estimates of pressure around the brachial artery cuffs varied by up to 27 mmHg SBP and 17 mmHg DBP with different cuffs. Pressures within the cuffs varied up to 27 mmHg. Pressure transmission from the cuff to the arterial surface achieved a 95% transmission ratio with one rubber-bladdered cuff but varied between 76 and 88% for the others. Non-uniform pressure distribution around the arterial wall was strongly related to cuff fabric elastic modulus. Identical size cuffs with a separate rubber bladder produced peri

Modulus D-term inflation

NASA Astrophysics Data System (ADS)

Kadota, Kenji; Kobayashi, Tatsuo; Saga, Ikumi; Sumita, Keigo

2018-04-01

We propose a new model of single-field D-term inflation in supergravity, where the inflation is driven by a single modulus field which transforms non-linearly under the U(1) gauge symmetry. One of the notable features of our modulus D-term inflation scenario is that the global U(1) remains unbroken in the vacuum and hence our model is not plagued by the cosmic string problem which can exclude most of the conventional D-term inflation models proposed so far due to the CMB observations.

Elastomer modulus and dielectric strength scaling with sample thickness

NASA Astrophysics Data System (ADS)

Larson, Kent

2015-04-01

Material characteristics such as adhesion and dielectric strength have well recognized dependencies on material thickness. There is disagreement, however, on the scale: the long held dictum that dielectric strength is inversely proportional to the square root of sample thickness has been shown to not always hold true for all materials, nor for all possible thickness regions. In D-EAP applications some studies have postulated a "critical thickness" below which properties show significantly less thickness dependency. While a great deal of data is available for dielectric strength, other properties are not nearly as well documented as samples get thinner. In particular, elastic modulus has been found to increase and elongation to decrease as sample thickness is lowered. This trend can be observed experimentally, but has been rarely reported and certainly does not appear in typical suppliers' product data sheets. Both published and newly generated data were used to study properties such as elastic modulus and dielectric strength vs sample thickness in silicone elastomers. Several theories are examined to explain such behavior, such as the impact of defect size and of common (but not well reported) concentration gradients that occur during elastomer curing that create micron-sized layers at the upper and lower interfaces with divergent properties to the bulk material. As Dielectric Electro-Active Polymer applications strive to lower and lower material thickness, changing mechanical properties must be recognized and taken into consideration for accurate electro-mechanical predictions of performance.

Interconversion of dynamic modulus to creep compliance and relaxation modulus : numerical modeling and laboratory validation - final report.

DOT National Transportation Integrated Search

2016-09-01

Viscoelastic material functions such as time domain functions, such as, relaxation modulus and creep compliance, : or frequency domain function, such as, complex modulus can be used to characterize the linear viscoelastic behavior : of asphalt concre...

Can one hear the Riemann zeros in black hole ringing?

NASA Astrophysics Data System (ADS)

Aros, Rodrigo; Bugini, Fabrizzio; Diaz, Danilo E.

2016-05-01

We elaborate on an entry of the AdS/CFT dictionary relating functional determinants: the determinant of the one-loop contribution to the effective gravitational action by bulk scalars in an asymptotically locally AdS background X, and the determinant of the two-point function of the dual operator (a.k.a. scattering matrix) at the conformal boundary M. The formula originates from AdS/CFT heuristics that map a quantum contribution in the bulk gravitational partition function to a subleading large-N contribution in the boundary CFT partition function: The formula applies to quotients of AdS as well [1]. In the particular case of the BTZ black hole, a closed expression can be worked out in terms of an associated Patterson-Selberg zeta function ZBTZ (λ) [2]. The determinants can then be thought of as regularized products of either zeta zeros, scattering resonances or quasinormal frequencies [3]. In this sense, one could say that the zeros of ZBTZ (λ) can be heard in the spectrum of quasinormal modes of the BTZ black hole. The question we want to pose is whether a similar situation might exist for the celebrated zeros of the Riemann zeta function.

Critical behavior of modulus of gel

NASA Astrophysics Data System (ADS)

Tokita, Masayuki; Niki, Ryoya; Hikichi, Kunio

1985-09-01

The critical behavior of the shear modulus of casein gel is studied. The shear modulus of casein gel scales with the conductivity exponent in the immediate vicinity of the sol-gel transition point. The asymptotic behavior of the modulus in the region far above the transition point is governed by a different exponent which is much larger than the conductivity exponent. These results are explainable by the crossover behavior of the percolation process. This study shows that the gelation of the casein micelle solution is a realization of the percolation process.

Synthetic lead bromapatite: X-ray structure at ambient pressure and compressibility up to about 20 GPa

NASA Astrophysics Data System (ADS)

Liu, Xi; Fleet, Michael E.; Shieh, Sean R.; He, Qiang

2011-05-01

Lead bromapatite [Pb10(PO4)6Br2] has been synthesized via solid-state reaction at pressures up to 1.0 GPa, and its structure determined by single-crystal X-ray diffraction at ambient temperature and pressure. The large bromide anion is accommodated in the c-axis channel by lateral displacements of structural elements, particularly of Pb2 cations and PO4 tetrahedra. The compressibility of bromapatite was also investigated up to about 20.7 GPa at ambient temperature, using a diamond-anvil cell and synchrotron X-ray radiation. The compressibility of lead bromapatite is significantly different from that of lead fluorapatite. The pressure-volume data of lead bromapatite ( P < 10 GPa) fitted to the third-order Birch-Murnaghan equation yield an isothermal bulk modulus ( K T ) of 49.8(16) GPa and first pressure derivative ( KT^' } ) of 10.1(10). If KT^' } is fixed at 4, the derived K T is 60.8(11) GPa. The relative difference of the bulk moduli of these two lead apatites is thus about 12%, which is about two times the relative difference of the bulk moduli (~5%) of the calcium apatites fluorapatite [Ca10(PO4)6F2], chlorapatite [Ca10(PO4)6Cl2] and hydroxylapatite [Ca10(PO4)6(OH)2]. Another interesting feature apparently related to the replacement of F by Br in lead apatite is the switch in the principle axes of the strain ellipsoid: the c-axis is less compressible than the a-axis in lead bromapatite but more compressible in lead fluorapatite.

Zero-leak valve

NASA Technical Reports Server (NTRS)

Macglashan, W. F., Jr.

1980-01-01

Zero-leakage valve has fluid-sealing diaphragm support and flat sievelike sealing surface. Diaphragm-support valve is easy to fabricate and requires minimum maintenance. Potential applications include isolation valve for waste systems and remote air-actuated valve. Device is also useful in controlling flow of liquid fluorine and corrosive fluids at high pressures.

The pressure-induced structural response of rare earth hafnate and stannate pyrochlore from 0.1-50 GPa

NASA Astrophysics Data System (ADS)

Turner, K. M.; Rittman, D.; Heymach, R.; Turner, M.; Tracy, C.; Mao, W. L.; Ewing, R. C.

2017-12-01

Complex oxides with the pyrochlore (A2B2O7) and defect-fluorite ((A,B)4O7) structure-types undergo structural transformations under high-pressure. These compounds are under consideration for applications including as a proposed waste-form for actinides generated in the nuclear fuel cycle. High-pressure transformations in rare earth hafnates (A2Hf2O7, A=Sm, Eu, Gd, Dy, Y, Yb) and stannates (A2Sn2O7, A=Nd, Gd, Er) were investigated to 50 GPa by in situ Raman spectroscopy and synchrotron x-ray diffraction (XRD). Rare-earth hafnates form the pyrochlore structure for A=La-Tb and the defect-fluorite structure for A=Dy-Lu. Lanthanide stannates form the pyrochlore structure. Raman spectra revealed that at ambient pressure all compositions have pyrochlore-type short-range order. Stannate compositions show a larger degree of pyrochlore-type short-range ordering relative to hafnates. In situ high-pressure synchrotron XRD showed that rare earth hafnates and stannates underwent a pressure-induced phase transition to a cotunnite-like (Pnma) structure that begins between 18-25 GPa in hafnates and between 30-33 GPa in stannates. The phase transition is not complete at 50 GPa, and upon decompression, XRD indicates that all compositions transform to defect-fluorite with an amorphous component. In situ Raman spectroscopy showed that disordering in stannates and hafnates occurs gradually upon compression. Pyrochlore-structured hafnates retain short-range order to a higher pressure (30 GPa vs. <10 GPa) than defect-fluorite-structured hafnates. Hafnates and stannates decompressed from 50 GPa show Raman spectra consistent with weberite-type structures, also reported in irradiated stannates. The second-order Birch-Murnaghan equation of state fit gives a bulk modulus of 250 GPa for hafnate compositions with the pyrochlore structure, and 400 GPa for hafnate compositions with the defect-fluorite structure. Stannates have a lower bulk modulus relative to hafnates (between 80-150 GPa

Effect of Young's modulus on bubble formation and pressure waves during pulsed holmium ablation of tissue phantoms

NASA Astrophysics Data System (ADS)

Jansen, E. Duco; Asshauer, Thomas; Frenz, Martin; Delacretaz, Guy P.; Motamedi, Massoud; Welch, Ashley J.

1995-05-01

Mechanical injury during pulsed laser ablation of tissue is caused by rapid bubble expansions and collapse or by laser-induced pressure waves. In this study the effect of material elasticity on the ablation process has been investigated. Polyacrylamide tissue phantoms with various water concentrations (75-95%) were made. The Young's moduli of the gels were determined by measuring the stress-strain relationship. An optical fiber (200 or 400 micrometers ) was translated into the clear gel and one pulse of holmium:YAG laser radiation was given. The laser was operated in either the Q-switched mode (tau) p equals 500 ns, Qp equals 14 +/- 1 mJ, 200 micrometers fiber, Ho equals 446 mJ/mm2) or the free-running mode ((tau) p equals 100 microsecond(s) , Qp equals 200 +/- 5 mJ, 400 micrometers fiber, Ho equals 1592 mJ/mm2). Bubble formation inside the gels was recorded using a fast flash photography setup while simultaneously recording pressures with a PVDP needle hydrophone (40 ns risetime) positioned in the gel, approximately 2 mm away from the fibertip. A thermo-elastic expansion wave was measured only during Q-switched pulse delivery. The amplitude of this wave (approximately equals 40 bar at 1 mm from the fiber) did not vary significantly in any of the phantoms investigated. Rapid bubble formation and collapse was observed inside the clear gels. Upon bubble collapse, a pressure transient was emitted; the amplitude of this transient depended strongly on bubble size and geometry. It was found that (1) the bubble was almost spherical for the Q-switched pulse and became more elongated for the free-running pulse, and (2) the maximum bubble size and thus the collapse amplitude decreased with an increase in Young's modulus (from 68 +/- 11 bar at 1 mm in 95% water gel to 25 +/- 10 bar at 1 mm in 75% water gel).

Fracture modes of high modulus graphite/epoxy angleplied laminates subjected to off-axis tensile loads

NASA Technical Reports Server (NTRS)

Sinclair, J. H.

1980-01-01

Angelplied laminates of high modulus graphite fiber/epoxy were studied in several ply configurations at various tensile loading angles to the zero ply direction in order to determine the effects of ply orientations on tensile properties, fracture modes, and fracture surface characteristics of the various plies. It was found that fracture modes in the plies of angleplied laminates can be characterized by scanning electron microscope observation. The characteristics for a given fracture mode are similar to those for the same fracture mode in unidirectional specimens. However, no simple load angle range can be associated with a given fracture mode.

Preparation of bulk superhard B-C-N nanocomposite compact

DOEpatents

Zhao, Yusheng [Los Alamos, NM; He, Duanwei [Sichuan, CN

2011-05-10

Bulk, superhard, B--C--N nanocomposite compacts were prepared by ball milling a mixture of graphite and hexagonal boron nitride, encapsulating the ball-milled mixture at a pressure in a range of from about 15 GPa to about 25 GPa, and sintering the pressurized encapsulated ball-milled mixture at a temperature in a range of from about 1800-2500 K. The product bulk, superhard, nanocomposite compacts were well sintered compacts with nanocrystalline grains of at least one high-pressure phase of B--C--N surrounded by amorphous diamond-like carbon grain boundaries. The bulk compacts had a measured Vicker's hardness in a range of from about 41 GPa to about 68 GPa.

Elastic modulus and internal friction of SOFC electrolytes at high temperatures under controlled atmospheres

NASA Astrophysics Data System (ADS)

Kushi, Takuto; Sato, Kazuhisa; Unemoto, Atsushi; Hashimoto, Shinichi; Amezawa, Koji; Kawada, Tatsuya

2011-10-01

Mechanical properties such as Young's modulus, shear modulus, Poisson's ratio and internal friction of conventional electrolyte materials for solid oxide fuel cells, Zr0.85Y0.15 O1.93 (YSZ), Zr0.82Sc0.18O1.91 (ScSZ), Zr0.81Sc0.18Ce0.01O2-δ (ScCeSZ), Ce0.9Gd0.1O2-δ (GDC), La0.8Sr0.2Ga0.8Mg0.15Co0.05O3-δ (LSGMC), La0.8Sr0.2Ga0.8Mg0.2O3-δ (LSGM), were evaluated by a resonance method at temperatures from room temperature to 1273 K in various oxygen partial pressures. The Young's modulus of GDC gradually decreased with increasing temperature in oxidizing conditions. The Young's moduli of the series of zirconia and lanthanum gallate based materials drastically decreased in an intermediate temperature range and increased slightly with increasing temperature at higher temperatures. The Young's modulus of GDC considerably decreased above 823 K in reducing atmospheres in response to the change of oxygen nonstoichiometry. However, temperature dependences of the Young's moduli of ScCeSZ and LSGMC in reducing atmospheres did not show any significant differences with those in oxidizing atmospheres.

Experimental and first-principles studies on the elastic properties of α-hafnium metal under pressure

DOE PAGES

Qi, Xintong; Wang, Xuebing; Chen, Ting; ...

2016-03-30

Compressional and shear wave velocities of the α phase of hafnium have been measured up to 10.4 GPa at room temperature using ultrasonic interferometry in a multi-anvil apparatus. A finite strain equation of state analysis yielded K s0 = 110.4 (5) GPa, G 0 = 54.7(5) GPa,K s0' = 3.7 and G 0' = 0.6 for the elastic bulk and shear moduli and their pressure derivatives at ambient conditions. Complementary to the experimental data, the single crystal elastic constants, elastic anisotropy and the unit cell axial ratio c/a of α-hafnium at high pressures were investigated by Density Functional Theory (DFT)more » based first principles calculations. A c/a value of 1.605 is predicted for α-Hf at 40 GPa, which is in excellent agreement with previous experimental results. The low-pressure derivative of the shear modulus observed in our experimental data up to 10 GPa was found to originate from the elastic constant C44 which exhibits negligible pressure dependence within the current experimental pressure range. At higher pressures (>10 GPa), C 44 was predicted to soften and the shear wave velocity ν S trended to decrease with pressure, which can be interpreted as a precursor to the α-ω transition similar to that observed in other group IV elements (titanium and zirconium). Here, the acoustic velocities, bulk and shear moduli, and the acoustic Debye temperature (θ D = 240.1 K) determined from the current experiments were all compared well with those predicted by our theoretical DFT calculations.« less

Stress Modulus of Cancer Cells

NASA Astrophysics Data System (ADS)

Bonin, Keith; Guthold, Martin; Guo, Xinyi; Sigley, Justin

2012-02-01

Our main goal is to study the different physical and mechanical properties of cells as they advance through different stages of neoplastic transformation from normal to the metastatic state. Since recent reports indicate there is significant ambiguity about how these properties change for different cancer cells, we plan to measure these properties for a single line of cells, and to determine whether the changes vary for different cellular components: i.e. whether the change in physical properties is due to a change in the cytoskeleton, the cell membrane, the cytoplasm, or a combination of these elements. Here we expect to present data on the stress modulus of cancer cells at different stages: normal, mortal cancerous, immortal cancerous, and tumorigenic. The cells are Weinberg cell line Human Mammary Epithelial (HME) cells. Atomic force microscope (AFM) probes with different diameters are used to push on the cell membrane to measure the local, regional and global cell stress modulus. Preliminary results on normal HME cells suggests a stress modulus of 1.5 ± 0.8 kPa when pushing with 7 μm spherical probes. We anticipate reporting an improved value for the modulus as well as results for some of the Weinberg cancer cells.

Elastic moduli of rock glasses under pressure to 8 kilobars and geophysical implications.

USGS Publications Warehouse

Meister, R.; Robertson, E.C.; Werke, R.W.; Raspet, R.

1980-01-01

Shear and longitudinal velocities were measured by the ultrasonic phase comparison method as a function of pressure to 8 kbar on synthetic glasses of basalt, andesite, rhyolite, and quartz composition and on natural obsidian. Velocities of most of the glasses decrease anomalously with pressure, but increasingly more-normal behavior occurs with decrease in SiO2 content. The pressure derivatives of rigidity and bulk modulus increase linearly, from -3.39 to -0.26 and from -5.91 to +2.09, respectively, with decrease in SiO2 content from 100 to 49%. The change from negative to positive in the pressure derivatives of both moduli and observed at Poisson's ratio of about 0.25 is consitent with the Smyth model for the anomalous elastic behavior of glass. If the temperature in the upper mantle is about 1500oC, tholeiitic basalt would be molten in accordance with the partial melt explanation for the low-velocity zone; at 1300oC and below, basalt would be in the glassy state, especially if more felsic than tholeiite. -Authors

The kinetics of crystallization of molten binary and ternary oxide systems and their application to the origination of high modulus glass fibers

NASA Technical Reports Server (NTRS)

Bacon, J. F.

1971-01-01

Emphasis on the consideration of glass formation on a kinetic process made it possible to think of glass compositions different from those normally employed in the manufacture of glass fibers. Approximately 450 new glass compositions were prepared and three dozen of these compositions have values for Young's modulus measured on bulk specimens greater than nineteen million pounds per square inch. Of the new glasses about a hundred could be drawn into fibers by mechanical methods at high speeds. The fiber which has a Young's modulus measured on the fiber of 18.6 million pounds per square inch and has been prepared in quantity as a monofilament (to date more than 150 million lineal feet of 0.2 to 0.4 mil fiber have been produced). This fiber has also been successfully incorporated both in epoxy and polyimide matrices. The epoxy resin composite has shown a modulus forty percent better than that achievable using the most common grade of competitive glass fiber, and twenty percent better than that obtainable with the best available grade of competitive glass fiber. Other glass fibers of even higher modulus have been developed.

Compressibility determination by electrical resistance measurement: a universal method for both crystalline and amorphous solids

NASA Astrophysics Data System (ADS)

Yan, Xiaozhi; He, Duanwei; Xu, Chao; Ren, Xiangting; Zhou, Xiaoling; Liu, Shenzuo

2012-12-01

A new method is introduced for investigating the compressibility of solids under high pressure by in situ electrical resistance measurement of a manganin wire, which is wrapped around the sample. This method does not rely on the lattice parameters measurement, and the continuous volume change of the sample versus pressure can be obtained. Therefore, it is convenient to look at the compressibility of solids, especially for the X-ray diffraction amorphous materials. The I-II and II-III phase transition of Bi accompanying with volume change of 4.5% and 3.5% has been detected using the method, respectively, while the volume change for the phase transition of Tl occurring at 3.67 GPa is determined as 0.5%. The fit of the third-order Birch-Murnaghan equation of state to our data yields a zero-pressure bulk modulus K 0=28.98±0.03 GPa for NaCl and 6.97±0.02 GPa for amorphous red phosphorus.

Pressure and temperature induced elastic properties of rare earth chalcogenides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shriya, S.; Sapkale, R., E-mail: sapkale.raju@rediffmail.com; Varshney, Dinesh, E-mail: vdinesh33@rediffmail.com

2016-05-06

The pressure and temperature dependent mechanical properties as Young modulus, Thermal expansion coefficient of rare earth REX (RE = La, Pr, Eu; X = O, S, Se, and Te) chalcogenides are studied. The rare earth chalcogenides showed a structural phase transition (B1–B2). Pressure dependence of Young modulus discerns an increase in pressure inferring the hardening or stiffening of the lattice as a consequence of bond compression and bond strengthening. Suppressed Young modulus as functions of temperature infers the weakening of the lattice results in bond weakening in REX. Thermal expansion coefficient demonstrates that REX (RE = La, Pr, Eu; Xmore » = O, S, Se, and Te) chalcogenides is mechanically stiffened, and thermally softened on applied pressure and temperature.« less

New structural phase obtained by exerting high pressure on (Br2)n@AFI composite material

NASA Astrophysics Data System (ADS)

Yao, Zhen; Lv, Jia-Yin; Liu, Bo; Liu, Bing-Bing; Yang, Bai

2018-06-01

In this paper, we present a theoretical study on the high-pressure behaviors of a (Br2)n@AlPO4-5 (AFI) peapod structure. The influence of the encapsulated Br2 molecule on the structural deformation of AFI crystal is analyzed using the volume-pressure function. The bonding process of the linearly arrayed Br2 molecule transferring to the bromine atomic chain is analyzed by the electron density distribution. A new high-pressure phase with P2 point group symmetry is obtained as the pressure increases to 34 GPa. In addition, electron density difference calculations are used to study the systematic charge transformation. Further analysis indicates that the encapsulated Br2 molecules can significantly modify the electronic structure of the AFI crystal. The band gap of the (Br2)n@AFI decreases with pressure and closes at 9 GPa. Moreover, the calculated bulk modulus and electronic properties indicate that the new structural phase is metallic with a high hardness, providing a new strategy for exploring novel nanomaterials.

Uranyl peroxide nanoclusters at high-pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Turner, Katlyn M.; Szymanowski, Jennifer E. S.; Zhang, Fuxiang

Here, U 60 ([UO 2(O 2)(OH)] 60 60– in water) is a uranyl peroxide nanocluster with a fullerene topology and O h symmetry. U 60 clusters can exist in crystalline solids or in liquids; however, little is known of their behavior at high pressures. We compressed the U 60-bearing material: Li 68K 12(OH) 20[UO 2(O 2)(OH)] 60(H 2O) 310 ( Fm3¯; a = 37.884 Å) in a diamond anvil cell to determine its response to increasing pressure. Three length scales and corresponding structural features contribute to the compression response: uranyl peroxide bonds (<0.5 nm), isolated single nanoclusters (2.5 nm), andmore » the long-range periodicity of nanoclusters within the solid (>3.7 nm). Li 68K 12(OH) 20[UO 2(O 2)(OH)] 60(H 2O) 310 transformed to a tetragonal structure below 2 GPa and irreversibly amorphized between 9.6 and 13 GPa. The bulk modulus of the tetragonal U 60-bearing material was 25 ± 2 GPa. The pressure-induced amorphous phase contained intact U 60 clusters, which were preserved beyond the loss of long-range periodicity. The persistence of U 60 clusters at high pressure may have been enhanced by the interaction between U 60 nanoclusters and the alcohol pressure medium. Once formed, U 60 nanoclusters persist regardless of their associated long-range ordering—in crystals, amorphous solids, or solutions.« less

Uranyl peroxide nanoclusters at high-pressure

DOE PAGES

Turner, Katlyn M.; Szymanowski, Jennifer E. S.; Zhang, Fuxiang; ...

2017-08-14

Here, U 60 ([UO 2(O 2)(OH)] 60 60– in water) is a uranyl peroxide nanocluster with a fullerene topology and O h symmetry. U 60 clusters can exist in crystalline solids or in liquids; however, little is known of their behavior at high pressures. We compressed the U 60-bearing material: Li 68K 12(OH) 20[UO 2(O 2)(OH)] 60(H 2O) 310 ( Fm3¯; a = 37.884 Å) in a diamond anvil cell to determine its response to increasing pressure. Three length scales and corresponding structural features contribute to the compression response: uranyl peroxide bonds (<0.5 nm), isolated single nanoclusters (2.5 nm), andmore » the long-range periodicity of nanoclusters within the solid (>3.7 nm). Li 68K 12(OH) 20[UO 2(O 2)(OH)] 60(H 2O) 310 transformed to a tetragonal structure below 2 GPa and irreversibly amorphized between 9.6 and 13 GPa. The bulk modulus of the tetragonal U 60-bearing material was 25 ± 2 GPa. The pressure-induced amorphous phase contained intact U 60 clusters, which were preserved beyond the loss of long-range periodicity. The persistence of U 60 clusters at high pressure may have been enhanced by the interaction between U 60 nanoclusters and the alcohol pressure medium. Once formed, U 60 nanoclusters persist regardless of their associated long-range ordering—in crystals, amorphous solids, or solutions.« less

Fatigue stipulation of bulk-fill composites: An in vitro appraisal.

PubMed

Vidhawan, Shruti A; Yap, Adrian U; Ornaghi, Barbara P; Banas, Agnieszka; Banas, Krzysztof; Neo, Jennifer C; Pfeifer, Carmem S; Rosa, Vinicius

2015-09-01

The aim of this study was to determine the Weibull and slow crack growth (SCG) parameters of bulk-fill resin based composites. The strength degradation over time of the materials was also assessed by strength-probability-time (SPT) analysis. Three bulk-fill [Tetric EvoCeram Bulk Fill (TBF); X-tra fil (XTR); Filtek Bulk-fill flowable (BFL)] and a conventional one [Filtek Z250 (Z250)] were studied. Seventy five disk-shaped specimens (12mm in diameter and 1mm thick) were prepared by inserting the uncured composites in a stainless steel split mold followed by photoactivation (1200mW/cm(2)/20s) and storage in distilled water (37°C/24h). Degree of conversion was evaluated in five specimens by analysis of FT-IR spectra obtained in the mid-IR region. The SCG parameters n (stress corrosion susceptibility coefficient) and σf0 (scaling parameter) were obtained by testing ten specimens in each of the five stress rates: 10(-2), 10(-1), 10(0), 10(1) and 10(2)MPa/s using a piston-on-three-balls device. Weibull parameter m (Weibull modulus) and σf0 (characteristic strength) were obtained by testing additional 20 specimens at 1MPa/s. Strength-probability-time (SPT) diagrams were constructed by merging SCG and Weibull parameters. BFL and TBF presented higher n values, respectively (40.1 and 25.5). Z250 showed the highest (157.02MPa) and TBF the lowest (110.90MPa) σf0 value. Weibull analysis showed m (Weibull modulus) of 9.7, 8.6, 9.7 and 8.9 for TBF, BFL, XTR and Z250, respectively. SPT diagram for 5% probability of failure showed strength decrease of 18% for BFL, 25% for TBF, 32% for XTR and 36% for Z250, respectively, after 5 years as compared to 1 year. The reliability and decadence of strength over time for bulk-fill resin composites studied are, at least, comparable to conventional composites. BFL shows the highest fatigue resistance under all simulations followed by TBF, while XTR was at par with Z250. Copyright © 2015 Academy of Dental Materials. Published by Elsevier

Elastic, magnetic and electronic properties of iridium phosphide Ir 2P

DOE PAGES

Wang, Pei; Wang, Yonggang; Wang, Liping; ...

2016-02-24

Cubic (space group: Fm3¯m) iridium phosphide, Ir 2P, has been synthesized at high pressure and high temperature. Angle-dispersive synchrotron X-ray diffraction measurements on Ir 2P powder using a diamond-anvil cell at room temperature and high pressures (up to 40.6 GPa) yielded a bulk modulus of B 0 = 306(6) GPa and its pressure derivative B 0'= 6.4(5). Such a high bulk modulus attributed to the short and strongly covalent Ir-P bonds as revealed by first – principles calculations and three-dimensionally distributed [IrP 4] tetrahedron network. Indentation testing on a well–sintered polycrystalline sample yielded the hardness of 11.8(4) GPa. Relatively lowmore » shear modulus of ~64 GPa from theoretical calculations suggests a complicated overall bonding in Ir 2P with metallic, ionic, and covalent characteristics. Additionally, a spin glass behavior is indicated by magnetic susceptibility measurements.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Pei; Wang, Yonggang; Wang, Liping

Cubic (space group: Fm3¯m) iridium phosphide, Ir 2P, has been synthesized at high pressure and high temperature. Angle-dispersive synchrotron X-ray diffraction measurements on Ir 2P powder using a diamond-anvil cell at room temperature and high pressures (up to 40.6 GPa) yielded a bulk modulus of B 0 = 306(6) GPa and its pressure derivative B 0'= 6.4(5). Such a high bulk modulus attributed to the short and strongly covalent Ir-P bonds as revealed by first – principles calculations and three-dimensionally distributed [IrP 4] tetrahedron network. Indentation testing on a well–sintered polycrystalline sample yielded the hardness of 11.8(4) GPa. Relatively lowmore » shear modulus of ~64 GPa from theoretical calculations suggests a complicated overall bonding in Ir 2P with metallic, ionic, and covalent characteristics. Additionally, a spin glass behavior is indicated by magnetic susceptibility measurements.« less

A Human Factors Evaluation of a Methodology for Pressurized Crew Module Acceptability for Zero-Gravity Ingress of Spacecraft

NASA Technical Reports Server (NTRS)

Sanchez, Merri J.

2000-01-01

This project aimed to develop a methodology for evaluating performance and acceptability characteristics of the pressurized crew module volume suitability for zero-gravity (g) ingress of a spacecraft and to evaluate the operational acceptability of the NASA crew return vehicle (CRV) for zero-g ingress of astronaut crew, volume for crew tasks, and general crew module and seat layout. No standard or methodology has been established for evaluating volume acceptability in human spaceflight vehicles. Volume affects astronauts'ability to ingress and egress the vehicle, and to maneuver in and perform critical operational tasks inside the vehicle. Much research has been conducted on aircraft ingress, egress, and rescue in order to establish military and civil aircraft standards. However, due to the extremely limited number of human-rated spacecraft, this topic has been un-addressed. The NASA CRV was used for this study. The prototype vehicle can return a 7-member crew from the International Space Station in an emergency. The vehicle's internal arrangement must be designed to facilitate rapid zero-g ingress, zero-g maneuverability, ease of one-g egress and rescue, and ease of operational tasks in multiple acceleration environments. A full-scale crew module mockup was built and outfitted with representative adjustable seats, crew equipment, and a volumetrically equivalent hatch. Human factors testing was conducted in three acceleration environments using ground-based facilities and the KC-135 aircraft. Performance and acceptability measurements were collected. Data analysis was conducted using analysis of variance and nonparametric techniques.

Modulus and yield stress of drawn LDPE

NASA Astrophysics Data System (ADS)

Thavarungkul, Nandh

Modulus and yield stress were investigated in drawn low density polyethylene (LDPE) film. Uniaxially drawn polymeric films usually show high values of modulus and yield stress, however, studies have normally only been conducted to identify the structural features that determine modulus. In this study small-angle x-ray scattering (SAXS), thermal shrinkage, birefringence, differential scanning calorimetry (DSC), and dynamic mechanical thermal analysis (DMTA) were used to examine, directly and indirectly, the structural features that determine both modulus and yield stress, which are often closely related in undrawn materials. Shish-kebab structures are proposed to account for the mechanical properties in drawn LDPE. The validity of this molecular/morphological model was tested using relationships between static mechanical data and structural and physical parameters. In addition, dynamic mechanical results are also in line with static data in supporting the model. In the machine direction (MD), "shish" and taut tie molecules (TTM) anchored in the crystalline phase account for E; whereas crystal lamellae with contributions from "shish" and TTM determine yield stress. In the transverse direction (TD), the crystalline phase plays an important roll in both modulus and yield stress. Modulus is determined by crystal lamellae functioning as platelet reinforcing elements in the amorphous matrix with an additional contributions from TTM and yield stress is determined by the crystal lamellae's resistance to deformation.

Ab-initio Computation of the Electronic, transport, and Bulk Properties of Calcium Oxide.

NASA Astrophysics Data System (ADS)

Mbolle, Augustine; Banjara, Dipendra; Malozovsky, Yuriy; Franklin, Lashounda; Bagayoko, Diola

We report results from ab-initio, self-consistent, local Density approximation (LDA) calculations of electronic and related properties of calcium oxide (CaO) in the rock salt structure. We employed the Ceperley and Alder LDA potential and the linear combination of atomic orbitals (LCAO) formalism. Our calculations are non-relativistic. We implemented the LCAO formalism following the Bagayoko, Zhao, and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF). The BZW-EF method involves a methodical search for the optimal basis set that yields the absolute minima of the occupied energies, as required by density functional theory (DFT). Our calculated, indirect band gap of 6.91eV, from towards the L point, is in excellent agreement with experimental value of 6.93-7.7eV, at room temperature (RT). We have also calculated the total (DOS) and partial (pDOS) densities of states as well as the bulk modulus. Our calculated bulk modulus is in excellent agreement with experiment. Work funded in part by the US Department of Energy (DOE), National Nuclear Security Administration (NNSA) (Award No.DE-NA0002630), the National Science Foundation (NSF) (Award No, 1503226), LaSPACE, and LONI-SUBR.

Thermoelastic properties of liquid Fe-C revealed by sound velocity and density measurements at high pressure

NASA Astrophysics Data System (ADS)

Shimoyama, Yuta; Terasaki, Hidenori; Urakawa, Satoru; Takubo, Yusaku; Kuwabara, Soma; Kishimoto, Shunpachi; Watanuki, Tetsu; Machida, Akihiko; Katayama, Yoshinori; Kondo, Tadashi

2016-11-01

Carbon is one of the possible light elements in the cores of the terrestrial planets. The P wave velocity (VP) and density (ρ) are important factors for estimating the chemical composition and physical properties of the core. We simultaneously measured the VP and ρ of Fe-3.5 wt % C up to 3.4 GPa and 1850 K by using ultrasonic pulse-echo method and X-ray absorption methods. The VP of liquid Fe-3.5 wt % C decreased linearly with increasing temperature at constant pressure. The addition of carbon decreased the VP of liquid Fe by about 2% at 3 GPa and 1700 K and decreased the Fe density by about 2% at 2 GPa and 1700 K. The bulk modulus of liquid Fe-C and its pressure (P) and temperature (T) effects were precisely determined from directly measured ρ and VP data to be K0,1700 K = 83.9 GPa, dKT/dP = 5.9(2), and dKT/dT = -0.063 GPa/K. The addition of carbon did not affect the isothermal bulk modulus (KT) of liquid Fe, but it decreased the dK/dT of liquid Fe. In the ρ-VP relationship, VP increases linearly with ρ and can be approximated as VP (m/s) = -6786(506) + 1537(71) × ρ (g/cm3), suggesting that Birch's law is valid for liquid Fe-C at the present P-T conditions. Our results imply that at the conditions of the lunar core, the elastic properties of an Fe-C core are more affected by temperature than those of Fe-S core.

A novel pressure variation study on electronic structure, mechanical stability and thermodynamic properties of potassium based fluoroperovskite

NASA Astrophysics Data System (ADS)

Erum, Nazia; Azhar Iqbal, Muhammad

2017-09-01

The effect of pressure variation on stability, structural parameters, elastic constants, mechanical, electronic and thermodynamic properties of cubic SrKF3 fluoroperovskite have been investigated by using the full-potential linearized augmented plane wave (FP-LAPW) method combined with Quasi-harmonic Debye model in which the phonon effects are considered. The calculated lattice parameters show a prominent decrease in lattice constant and bonds length with the increase in pressure. The application of pressure from 0 to 25 GPa reveals a predominant characteristic associated with widening of bandgap with GGA and GGA plus Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. The influence of pressure on elastic constants and their related mechanical parameters have been discussed in detail. Apart of linear dependence of elastic coefficients, transition from brittle to ductile behavior is also observed at elevated pressure ranges. We have successfully computed variation of lattice constant, volume expansion, bulk modulus, Debye temperature and specific heat capacities at pressure and temperature in the range of 0-25 GPa and 0-600 K.

Interface or bulk scattering in the semiclassical theory for spin valves

NASA Astrophysics Data System (ADS)

Wang, L.; McMahon, W. J.; Liu, B.; Wu, Y. H.; Chong, C. T.

2004-06-01

By taking into account spin asymmetries of the interface transmissions and the bulk mean free paths, we have treated pure interface, non-pure interface, bulk, and interface plus bulk scattering within the semiclassical Boltzmann theory. First, the optimizations of NOL (nano-oxide-layers) insertions in bottom, synthetic, and dual spin valves and the variations of the giant magnetoresistance (GMR) with the thickness of the free layer have been examined. For non-pure interface, bulk, and interface plus bulk scattering, qualitative trends of GMR versus NOL positions in spin valves are similar to each other. For pure interface scattering, there is no optimized NOL insertion positions and the blocking effect of the NOL inserted in the spacer remains effective as other three kinds of scattering. The GMR ratio for bulk scattering simply approaches zero when the free layer thickness becomes short; in contrast, for interface scattering or interface plus bulk scattering, the GMR ratio is nonzero at zero thickness of the free layer. Second, the relationships between GMR and specular and diffusive scattering have been explored. As far as specular reflection is concerned, our results imply that for a realistic bottom spin filter spin valve, Ta/NiFe/IrMn/CoFe/Cu/CoFe/Cu/Ta, roughness of the surfaces of Ta and the interfaces of Ta/NiFe, NiFe/IrMn, pinned layer/spacer, and spacer/free layer may lead to large GMR. We also find that the enhancement of GMR due to surface specular reflection is only a pure interface effect. The dependences of GMR on the specular transmissions roughly follow square relations. The trends of GMR against the spin-down diffusive scattering depend on the values of the spin-up transmission. Finally, impurity scattering was investigated and our semiclassical results are in qualitative agreement with the experiments and the quantum theory.

Thermal equation of state of silicon carbide

NASA Astrophysics Data System (ADS)

Wang, Yuejian; Liu, Zhi T. Y.; Khare, Sanjay V.; Collins, Sean Andrew; Zhang, Jianzhong; Wang, Liping; Zhao, Yusheng

2016-02-01

A large volume press coupled with in-situ energy-dispersive synchrotron X-ray was used to probe the change of silicon carbide (SiC) under high pressure and temperature (P-T) up to 8.1 GPa and 1100 K. The obtained pressure-volume-temperature data were fitted to a modified high-T Birch-Murnaghan equation of state, yielding values of a series of thermo-elastic parameters, such as the ambient bulk modulus KTo = 237(2) GPa, temperature derivative of the bulk modulus at a constant pressure (∂K/∂T)P = -0.037(4) GPa K-1, volumetric thermal expansivity α(0, T) = a + bT with a = 5.77(1) × 10-6 K-1 and b = 1.36(2) × 10-8 K-2, and pressure derivative of the thermal expansion at a constant temperature (∂α/∂P)T = 6.53 ± 0.64 × 10-7 K-1 GPa-1. Furthermore, we found the temperature derivative of the bulk modulus at a constant volume, (∂KT/∂T)V, equal to -0.028(4) GPa K-1 by using a thermal pressure approach. In addition, the elastic properties of SiC were determined by density functional theory through the calculation of Helmholtz free energy. The computed results generally agree well with the experimentally determined values.

Correlation of heat transfer for the zero pressure gradient hypersonic laminar boundary layer for several gases

NASA Technical Reports Server (NTRS)

Cook, W. J.

1973-01-01

A theoretical study of heat transfer for zero pressure gradient hypersonic laminar boundary layers for various gases with particular application to the flows produced in an expansion tube facility was conducted. A correlation based on results obtained from solutions to the governing equations for five gases was formulated. Particular attention was directed toward the laminar boundary layer shock tube splitter plates in carbon dioxide flows generated by high speed shock waves. Computer analysis of the splitter plate boundary layer flow provided information that is useful in interpreting experimental data obtained in shock tube gas radiation studies.

Absolute measurement of the Hugoniot and sound velocity of liquid copper at multimegabar pressures

DOE PAGES

McCoy, Chad August; Knudson, Marcus David; Root, Seth

2017-11-13

Measurement of the Hugoniot and sound velocity provides information on the bulk modulus and Grüneisen parameter of a material at extreme conditions. The capability to launch multilayered (copper/aluminum) flyer plates at velocities in excess of 20 km/s with the Sandia Z accelerator has enabled high-precision sound-velocity measurements at previously inaccessible pressures. For these experiments, the sound velocity of the copper flyer must be accurately known in the multi-Mbar regime. Here we describe the development of copper as an absolutely calibrated sound-velocity standard for high-precision measurements at pressures in excess of 400 GPa. Using multilayered flyer plates, we performed absolute measurementsmore » of the Hugoniot and sound velocity of copper for pressures from 500 to 1200 GPa. These measurements enabled the determination of the Grüneisen parameter for dense liquid copper, clearly showing a density dependence above the melt transition. As a result, combined with earlier data at lower pressures, these results constrain the sound velocity as a function of pressure, enabling the use of copper as a Hugoniot and sound-velocity standard for pressures up to 1200 GPa.« less

Absolute measurement of the Hugoniot and sound velocity of liquid copper at multimegabar pressures

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCoy, Chad August; Knudson, Marcus David; Root, Seth

Measurement of the Hugoniot and sound velocity provides information on the bulk modulus and Grüneisen parameter of a material at extreme conditions. The capability to launch multilayered (copper/aluminum) flyer plates at velocities in excess of 20 km/s with the Sandia Z accelerator has enabled high-precision sound-velocity measurements at previously inaccessible pressures. For these experiments, the sound velocity of the copper flyer must be accurately known in the multi-Mbar regime. Here we describe the development of copper as an absolutely calibrated sound-velocity standard for high-precision measurements at pressures in excess of 400 GPa. Using multilayered flyer plates, we performed absolute measurementsmore » of the Hugoniot and sound velocity of copper for pressures from 500 to 1200 GPa. These measurements enabled the determination of the Grüneisen parameter for dense liquid copper, clearly showing a density dependence above the melt transition. As a result, combined with earlier data at lower pressures, these results constrain the sound velocity as a function of pressure, enabling the use of copper as a Hugoniot and sound-velocity standard for pressures up to 1200 GPa.« less

Elastic modulus of phases in Ti–Mo alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Wei-dong; Liu, Yong, E-mail: yonliu11@aliyun.com; Wu, Hong

2015-08-15

In this work, a series of binary Ti–Mo alloys with the Mo contents ranging from 3.2 to 12 at.% were prepared using non-consumable arc melting. The microstructures were investigated by X-ray diffraction and transmission electron microscope, and the elastic modulus was evaluated by nanoindentation testing technique. The evolution of the volume fractions of ω phase was investigated using X-ray photoelectron spectroscopy. The results indicated that the phase constitution and elastic modulus of the Ti–Mo alloys are sensitive to the Mo content. Ti–3.2Mo and Ti–8Mo alloys containing only α and β phases, respectively, have a low elastic modulus. In contrast, Ti–4.5Mo,more » Ti–6Mo, Ti–7Mo alloys, with different contents of ω phase, have a high elastic modulus. A simple micromechanical model was used to calculate the elastic modulus of ω phase (E{sub ω}), which was determined to be 174.354 GPa. - Highlights: • Ti–Mo alloys with the Mo contents ranging from 3.2 to 12 at.% were investigated. • XPS was used to investigate the volume fractions of ω phase. • The elastic modulus of Ti–Mo alloys is sensitive to the Mo content. • The elastic modulus of ω phase was determined to be 174.354 GPa.« less

Experimental Compressibility of Molten Hedenbergite at High Pressure

NASA Astrophysics Data System (ADS)

Agee, C. B.; Barnett, R. G.; Guo, X.; Lange, R. A.; Waller, C.; Asimow, P. D.

2010-12-01

natural pyropic garnet(Pyr74 Alm13.5 Gro12.5). We bracketed the density of molten hedenbergite with Fo100 to be 3.09 g cm-3 at 1.1 GPa and 1450°C, and with Fo90 to be 3.27 g cm-3 at 3.0 GPa and 1450-1550°C. These sink-float values represent an increase in isothermal density from reference ambient pressure of 6% and 12% respectively, or linear compressions of 0.16 and 0.12 g cm-3 GPa-1. The density-with-pressure increases in our static compression experiments are in good agreement with the Michigan ambient pressure sound speed measurements that yield an isentropic bulk modulus of KS=18.77 GPa. Currently we are performing higher pressure sink/float experiments in the range 7-8 GPa with pyrope garnet marker spheres to better constrain values for the isothermal bulk modulus (KT) and its pressure derivative K'. As a by-product of our sink/float experiments we are also determining the melting curve of hedenbergite well beyond the published pressure extent of approximately 1.5 GPa (Lindsley, 1967). Our early data show the hedenbergite liquidus to be 1450°C at 3 GPa and approximately 1750°C at 7 GPa.

Lattice dynamics and thermomechanical properties of zirconium(IV) chloride: Evidence for low-temperature negative thermal expansion

NASA Astrophysics Data System (ADS)

Kim, Eunja; Weck, Philippe F.; Borjas, Rosendo; Poineau, Frederic

2018-01-01

The crystal structure, lattice dynamics and themomechanical properties of bulk monoclinic zirconium tetrachloride (ZrCl4) have been investigated using zero-damping dispersion-corrected density functional theory [DFT-D3(zero)]. Phonon analysis reveals that ZrCl4 (cr) undergoes negative thermal expansion (NTE) near T ≈ 10 K, with a coefficient of thermal expansion of α = - 1.2 ppm K-1 and a Grüneisen parameter of γ = - 1.1 . The bulk modulus is predicted to vary from K0 = 8.7 to 7.0 GPa in the temperature range 0-550 K. The isobaric molar heat capacity derived from phonon calculations within the quasi-harmonic approximation is in fair agreement with existing calorimetric data.

A constrained modulus reconstruction technique for breast cancer assessment.

PubMed

Samani, A; Bishop, J; Plewes, D B

2001-09-01

A reconstruction technique for breast tissue elasticity modulus is described. This technique assumes that the geometry of normal and suspicious tissues is available from a contrast-enhanced magnetic resonance image. Furthermore, it is assumed that the modulus is constant throughout each tissue volume. The technique, which uses quasi-static strain data, is iterative where each iteration involves modulus updating followed by stress calculation. Breast mechanical stimulation is assumed to be done by two compressional rigid plates. As a result, stress is calculated using the finite element method based on the well-controlled boundary conditions of the compression plates. Using the calculated stress and the measured strain, modulus updating is done element-by-element based on Hooke's law. Breast tissue modulus reconstruction using simulated data and phantom modulus reconstruction using experimental data indicate that the technique is robust.

Radiating gravitational collapse with shearing motion and bulk viscosity

NASA Astrophysics Data System (ADS)

Chan, R.

2001-03-01

A model is proposed of a collapsing radiating star consisting of a shearing fluid with bulk viscosity undergoing radial heat flow with outgoing radiation. The pressure of the star, at the beginning of the collapse, is isotropic but due to the presence of the bulk viscosity the pressure becomes more and more anisotropic. The behavior of the density, pressure, mass, luminosity, the effective adiabatic index and the Kretschmann scalar is analyzed. Our work is compared to the case of a collapsing shearing fluid of a previous model, for a star with 6 Msun.

High Pressure Strength Study on NaCl

NASA Astrophysics Data System (ADS)

Mi, Z.; Shieh, S. R.; High Pressure Mineral Physics Group

2010-12-01

Yield strength is regarded as one important property related to rheological characteristics of minerals in the Earth’s interior. The strength study of NaCl, a popular pressure medium in static high pressure experiments, has been carried out under non-hydrostatic conditions in a diamond anvil cell up to 43 GPa at room temperature using radial energy dispersive X-ray diffraction technique. Phase transformation from B1 (rock salt structure) to B2 (CsCl structure) starts at 29.4 GPa, and is complete at 32.1 GPa. Bulk modulus obtained by third order Birch-Manurgham equation of state is 25.5 GPa with pressure derivative 4.6 for B1 phase, and 30.78 GPa with pressure derivative 4.32 GPa for B2 phase, which are in a good agreement with previous studies. The differential stress of NaCl B1 phase shows very gentle increase with pressure, which indicates that NaCl is a very good pressure-transmitting medium at pressure below 30 GPa. However, the differential stress increases more abruptly for B2 phase and this may imply that NaCl can no longer be regarded as a “soft” pressure medium at very high pressures. For B1 phase, (111) is the strongest plane and (200) is the weakest plane, while (200) becomes the strongest plane in B2 phase. Pure NaCl is weaker than mixture MgO and NaCl, which indicates that soft material become stronger when mixed with hard material. The yield strength of B2 obtained through energy dispersive X-ray diffraction technique increase linearly, while the value derived by pressure gradient method shows jagged trend.

High-pressure behavior of intermediate scapolite: compressibility, structure deformation and phase transition

NASA Astrophysics Data System (ADS)

Lotti, Paolo; Comboni, Davide; Merlini, Marco; Hanfland, Michael

2018-05-01

Scapolites are common volatile-bearing minerals in metamorphic rocks. In this study, the high-pressure behavior of an intermediate member of the scapolite solid solution series (Me47), chemical formula (Na1.86Ca1.86K0.23Fe0.01)(Al4.36Si7.64)O24[Cl0.48(CO3)0.48(SO4)0.01], has been investigated up to 17.79 GPa, by means of in situ single-crystal synchrotron X-ray diffraction. The isothermal elastic behavior of the studied scapolite has been described by a III-order Birch-Murnaghan equation of state, which provided the following refined parameters: V 0 = 1110.6(7) Å3, {K_{{V_0}}} = 70(2) GPa ({β _{{V_0}}} = 0.0143(4) GPa-1) and {K_{{V}}^' = 4.8(7). The refined bulk modulus is intermediate between those previously reported for Me17 and Me68 scapolite samples, confirming that the bulk compressibility among the solid solution increases with the Na content. A discussion on the P-induced structure deformation mechanisms of tetragonal scapolite at the atomic scale is provided, along with the implications of the reported results for the modeling of scapolite stability. In addition, a single-crystal to single-crystal phase transition, which is displacive in character, has been observed toward a triclinic polymorph at 9.87 GPa. The high-pressure triclinic polymorph was found to be stable up to the highest pressure investigated.

Characteristics of low polymerization shrinkage flowable resin composites in newly-developed cavity base materials for bulk filling technique.

PubMed

Nitta, Keiko; Nomoto, Rie; Tsubota, Yuji; Tsuchikawa, Masuji; Hayakawa, Tohru

2017-11-29

The purpose of this study was to evaluate polymerization shrinkage and other physical properties of newly-developed cavity base materials for bulk filling technique, with the brand name BULK BASE (BBS). Polymerization shrinkage was measured according to ISO/FDIS 17304. BBS showed the significantly lowest polymerization shrinkage and significantly higher depth of cure than conventional flowable resin composites (p<0.05). The Knoop hardness, flexural strength and elastic modulus of that were significantly lower than conventional flowable resin composites (p<0.05). BBS had the significantly greatest filler content (p<0.05). SEM images of the surface showed failure of fillers. The lowest polymerization shrinkage was due to the incorporation of a new type of low shrinkage monomer, which has urethane moieties. There were no clear correlations between inorganic filler contents and polymerization shrinkage, flexural strength and elastic modulus. In conclusion, the low polymerization shrinkage of BBS will be useful for cavity treatment in dental clinics.

First principles calculation of elastic and magnetic properties of Cr-based full-Heusler alloys

NASA Astrophysics Data System (ADS)

Aly, Samy H.; Shabara, Reham M.

2014-06-01

We present an ab-initio study of the elastic and magnetic properties of Cr-based full-Heusler alloys within the first-principles density functional theory. The lattice constant, magnetic moment, bulk modulus and density of states are calculated using the full-potential nonorthogonal local-orbital minimum basis (FPLO) code in the Generalized Gradient Approximation (GGA) scheme. Only the two alloys Co2CrSi and Fe2CrSi are half-metallic with energy gaps of 0.88 and 0.55 eV in the spin-down channel respectively. We have predicted the metallicity state for Fe2CrSb, Ni2CrIn, Cu2CrIn, and Cu2CrSi alloys. Fe2CrSb shows a strong pressure dependent, e.g. exhibits metallicity at zero pressure and turns into a half-metal at P≥10 GPa. The total and partial magnetic moments of these alloys were studied under higher pressure, e.g. in Co2CrIn, the total magnetic moment is almost unchanged under higher pressure up to 500 GPa.

Determination of Absolute Zero Using a Computer-Based Laboratory

ERIC Educational Resources Information Center

Amrani, D.

2007-01-01

We present a simple computer-based laboratory experiment for evaluating absolute zero in degrees Celsius, which can be performed in college and undergraduate physical sciences laboratory courses. With a computer, absolute zero apparatus can help demonstrators or students to observe the relationship between temperature and pressure and use…

Gate-tunable current partition in graphene-based topological zero lines

NASA Astrophysics Data System (ADS)

Wang, Ke; Ren, Yafei; Deng, Xinzhou; Yang, Shengyuan A.; Jung, Jeil; Qiao, Zhenhua

2017-06-01

We demonstrate new mechanisms for gate-tunable current partition at topological zero-line intersections in a graphene-based current splitter. Based on numerical calculations of the nonequilibrium Green's functions and Landauer-Büttiker formula, we show that the presence of a perpendicular magnetic field on the order of a few Teslas allows for carrier sign dependent current routing. In the zero-field limit the control on current routing and partition can be achieved within a range of 10-90 % of the total incoming current by tuning the carrier density at tilted intersections or by modifying the relative magnitude of the bulk band gaps via gate voltage. We discuss the implications of our findings in the design of topological zero-line networks where finite orbital magnetic moments are expected when the current partition is asymmetric.

Crack arrest within teeth at the dentinoenamel junction caused by elastic modulus mismatch.

PubMed

Bechtle, Sabine; Fett, Theo; Rizzi, Gabriele; Habelitz, Stefan; Klocke, Arndt; Schneider, Gerold A

2010-05-01

Enamel and dentin compose the crowns of human teeth. They are joined at the dentinoenamel junction (DEJ) which is a very strong and well-bonded interface unlikely to fail within healthy teeth despite the formation of multiple cracks within enamel during a lifetime of exposure to masticatory forces. These cracks commonly are arrested when reaching the DEJ. The phenomenon of crack arrest at the DEJ is described in many publications but there is little consensus on the underlying cause and mechanism. Explanations range from the DEJ having a larger toughness than both enamel and dentin up to the assumption that not the DEJ itself causes crack arrest but the so-called mantle dentin, a thin material layer close to the DEJ that is somewhat softer than the bulk dentin. In this study we conducted 3-point bending experiments with bending bars consisting of the DEJ and surrounding enamel and dentin to investigate crack propagation and arrest within the DEJ region. Calculated stress intensities around crack tips were found to be highly influenced by the elastic modulus mismatch between enamel and dentin and hence, the phenomenon of crack arrest at the DEJ could be explained accordingly via this elastic modulus mismatch. Copyright 2010 Elsevier Ltd. All rights reserved.

The effect of high energy concentration source irradiation on structure and properties of Fe-based bulk metallic glass

NASA Astrophysics Data System (ADS)

Pilarczyk, Wirginia

2016-06-01

Metallic glasses exhibit metastable structure and maintain this relatively stable amorphous state within certain temperature range. High intensity laser beam was used for the surface irradiation of Fe-Co-B-Si-Nb bulk metallic glasses. The variable parameter was laser beam pulse energy. For the analysis of structure and properties of bulk metallic glasses and their surface after laser remelting the X-ray analysis, microscopic observation and test of mechanical properties were carried out. Examination of the nanostructure of amorphous materials obtained by high pressure copper mold casting method and the irradiated with the use of TITAN 80-300 HRTEM was carried out. Nanohardness and reduced Young's modulus of particular amorphous and amorphous-crystalline material zone of the laser beam were examined with the use of Hysitron TI950 Triboindenter nanoindenter and with the use of Berkovich's indenter. The XRD and microscopic analysis showed that the test material is amorphous in its structure before irradiation. Microstructure observation with electron transmission microscopy gave information about alloy crystallization in the irradiated process. Identification of given crystal phases allows to determine the kind of crystal phases created in the first place and also further changes of phase composition of alloy. The main value of the nanohardness of the surface prepared by laser beam has the order of magnitude similar to bulk metallic glasses formed by casting process irrespective of the laser beam energy used. Research results analysis showed that the area between parent material and fusion zone is characterized by extraordinarily interesting structure which is and will be the subject of further analysis in the scope of bulk metallic glasses amorphous structure and high energy concentration source. The main goal of this work is the results' presentation of structure and chosen properties of the selected bulk metallic glasses after casting process and after irradiation

Fisher zeros and conformality in lattice models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meurice, Yannick; Bazavov, Alexei; Berg, Bernd A.

2012-10-01

Fisher zeros are the zeros of the partition function in the complex beta=2N_c/g^2 plane. When they pinch the real axis, finite size scaling allows one to distinguish between first and second order transition and to estimate exponents. On the other hand, a gap signals confinement and the method can be used to explore the boundary of the conformal window. We present recent numerical results for 2D O(N) sigma models, 4D U(1) and SU(2) pure gauge and SU(3) gauge theory with N_f=4 and 12 flavors. We discuss attempts to understand some of these results using analytical methods. We discuss the 2-latticemore » matching and qualitative aspects of the renormalization group (RG) flows in the Migdal-Kadanoff approximation, in particular how RG flows starting at large beta seem to move around regions where bulk transitions occur. We consider the effects of the boundary conditions on the nonperturbative part of the average energy and on the Fisher zeros for the 1D O(2) model.« less

Non-toxic invert analog glass compositions of high modulus

NASA Technical Reports Server (NTRS)

Bacon, J. F. (Inventor)

1974-01-01

Glass compositions having a Young's modulus of at least 15 million psi are described. They and a specific modulus of at least 110 million inches consist essentially of, in mols, 15 to 40% SiO2, 6 to 15% Li2O, 24 to 45% of at least two bivalent oxides selected from the group consisting of Ca, NzO, MgO and CuO; 13 to 39% of at least two trivalent oxides selected from the group consisting of Al2O3, Fe2O3, B2O3, La2O3, and Y2O3 and up to 15% of one or more tetravelent oxides selected from the group consisting of ZrO2, TiO2 and CeO2. The high modulus, low density glass compositions contain no toxic elements. The composition, glass density, Young's modulus, and specific modulus for 28 representative glasses are presented. The fiber modulus of five glasses are given.

Studies on the structural stability of Co2P2O7 under pressure

NASA Astrophysics Data System (ADS)

Wang, W. P.; Pang, H.; Jin, M. L.; Shen, X.; Yao, Y.; Wang, Y. G.; Li, Y. C.; Li, X. D.; Jin, C. Q.; Yu, R. C.

2018-05-01

The crystal structural evolution of Co2P2O7 was studied by using in situ high pressure angle dispersive x-ray diffraction with synchrotron radiation. The results demonstrate that the α phase of Co2P2O7 goes through a partially irreversible structural transformation to β phase under pressure. The pressure is conductive to reduce the longest Cosbnd O bond length of the α phase, and then more uniform Cosbnd O bonds and regular hexagonal arrangement of CoO6 octahedra of the β phase are favored. According to the Birch-Murnaghan equation, the fitted bulk modulus B0 is 158.1(±5.6) GPa for α phase and 276.5(±6.5) GPa for β phase. Furthermore, the first-principles calculations show that these two phases of Co2P2O7 have almost equal total energies, and also have similar band structures and spin-polarized density of states at their ground states. This may be the reason why these two phases of Co2P2O7 can coexist in the pressure released state. It is found that the band gap energies decrease with increasing pressure for both phases.

Thermoelastic properties of grossular–andradite solid solution at high pressures and temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fan, Dawei; Kuang, Yunqian; Xu, Jingui

2016-09-21

The pressure–volume–temperature (P–V–T) equation of state (EoS) of synthetic grossular (Grs)–andradite (And) solid-solution garnet sample have been measured at high temperature up to 900 K and high pressures up to 22.75 GPa for Grs50And50, by using in situ angle-dispersive X-ray diffraction and diamond anvil cell. Analysis of room-temperature P–V data to a third-order Birch–Murnaghan (BM) EoS yields: V0 = 1706.8 ± 0.2 Å3, K0 = 164 ± 2 GPa and K'0 = 4.7 ± 0.5. Fitting of our P–V–T data by means of the high-temperature third-order BM EoS gives the thermoelastic parameters: V0 = 1706.9 ± 0.2 Å3, K0 =more » 164 ± 2 GPa, K'0 = 4.7 ± 0.2, (∂K/∂T)P = -0.018 ± 0.002 GPa K-1, and α0 = (2.94 ± 0.07) × 10-5 K-1. The results also confirm that grossular content increases the bulk modulus of the Grs-And join following a nearly ideal mixing model. The relation between bulk modulus and Grs mole fraction (XGrs) in this garnet join is derived to be K0 (GPa) = (163.7 ± 0.7) + (0.14 ± 0.02) XGrs (R2 = 0.985). Present results are also compared to previously studies determined the thermoelastic properties of Grs-And garnets.« less

Nondestructive Measurement of Dynamic Modulus for Cellulose Nanofibril Films

Treesearch

Yan Qing; Robert J. Ross; Zhiyong Cai; Yiqiang Wu

2013-01-01

Nondestructive evaluation of cellulose nanofibril (CNF) films was performed using cantilever beam vibration (CBV) and acoustic methods to measure dynamic modulus. Static modulus was tested using tensile tension method. Correlation analysis shows the data measured by CBV has little linear relationship with static modulus, possessing a correlation coefficient (R

Correction to the gas phase pressure term in the continuum model for partially saturated granular media presented by Pietruszczak and co-workers

NASA Astrophysics Data System (ADS)

Iveson, Simon M.

2003-06-01

Pietruszczak and coworkers (Internat. J. Numer. Anal. Methods Geomech. 1994; 18(2):93-105; Comput. Geotech. 1991; 12( ):55-71) have presented a continuum-based model for predicting the dynamic mechanical response of partially saturated granular media with viscous interstitial liquids. In their model they assume that the gas phase is distributed uniformly throughout the medium as discrete spherical air bubbles occupying the voids between the particles. However, their derivation of the air pressure inside these gas bubbles is inconsistent with their stated assumptions. In addition the resultant dependence of gas pressure on liquid saturation lies outside of the plausible range of possible values for discrete air bubbles. This results in an over-prediction of the average bulk modulus of the void phase. Corrected equations are presented.

Structural and low temperature transport properties of Fe2B and FeB systems at high pressure

NASA Astrophysics Data System (ADS)

Kumar, P. Anand; Satya, A. T.; Reddy, P. V. Sreenivasa; Sekar, M.; Kanchana, V.; Vaitheeswaran, G.; Mani, Awadhesh; Kalavathi, S.; Shekar, N. V. Chandra

2017-10-01

The evolution of crystal structure and the ground state properties of Fe2B and FeB have been studied by performing high pressure X-ray diffraction up to a pressure of ∼24 GPa and temperature dependent (4.2-300 K range) high-pressure resistivity measurements up to ∼ 2 GPa. While a pressure induced reversible structural phase transition from tetragonal to orthorhombic structure is observed at ∼6.3 GPa in Fe2B, FeB has been found to be stable in its orthorhombic phase up to the pressure of 24 GPa. In the case of Fe2B, both parent and daughter phases coexist beyond the transition pressure. The bulk modulus of FeB and Fe2B (tetragonal) have been found to be 248 GPa and 235 GPa respectively. First principle electronic structure calculations have been performed using the present experimental inputs and the calculated ground state properties agree quite well with the major findings of the experiments. Debye temperature extracted from the analysis of low temperature resistivity data is observed to decrease with pressure indicating softening of phonons in both the systems.

Thermal equation of state of silicon carbide

DOE PAGES

Wang, Yuejian; Liu, Zhi T. Y.; Khare, Sanjay V.; ...

2016-02-11

A large volume press coupled with in-situ energy-dispersive synchrotron X-ray was used to probe the change of silicon carbide (SiC) under high pressure and temperature (P-T) up to 8.1 GPa and 1100 K. The obtained pressure–volume–temperature (P-V-T) data were fitted to a modified high-T Birch-Murnaghan equation of state, yielding values of a series of thermo-elastic parameters, such as, the ambient bulk modulus K To = 237(2) GPa, temperature derivative of bulk modulus at constant pressure (∂K/∂T)P = -0.037(4) GPa K -1, volumetric thermal expansivity α(0, T)=a+bT with a = 5.77(1)×10 -6 K -1 and b = 1.36(2)×10 -8 K -2,more » and pressure derivative of thermal expansion at constant temperature (∂α/∂P) T =6.53±0.64×10 -7 K -1GPa -1. Furthermore, we found the temperature derivative of bulk modulus at constant volume, (∂K T/∂T) V, equal to -0.028(4) GPa K -1 by using a thermal pressure approach. In addition, the elastic properties of SiC were determined by density functional theory through the calculation of Helmholtz free energy. Lastly, the computed results generally agree well with the experimental values.« less

Seismic Attenuation and Stiffness Modulus Dispersion in Porous Rocks Containing Stochastic Fracture Networks

NASA Astrophysics Data System (ADS)

Hunziker, Jürg; Favino, Marco; Caspari, Eva; Quintal, Beatriz; Rubino, J. Germán.; Krause, Rolf; Holliger, Klaus

2018-01-01

Understanding seismic attenuation and modulus dispersion mechanisms in fractured rocks can result in significant advances for the indirect characterization of such environments. In this paper, we study attenuation and modulus dispersion of seismic waves caused by fluid pressure diffusion (FPD) in stochastic 2-D fracture networks, allowing for a state-of-the-art representation of natural fracture networks by a power law length distribution. To this end, we apply numerical upscaling experiments consisting of compression and shear tests to our samples of fractured rocks. The resulting P and S wave attenuation and modulus dispersion behavior is analyzed with respect to the density, the length distribution, and the connectivity of the fractures. We focus our analysis on two manifestations of FPD arising in fractured rocks, namely, fracture-to-background FPD at lower frequencies and fracture-to-fracture FPD at higher frequencies. Our results indicate that FPD is sensitive not only to the fracture density but also to the geometrical characteristics of the fracture length distributions. In particular, our study suggests that information about the local connectivity of a fracture network could be retrieved from seismic data. Conversely, information about the global connectivity, which is directly linked to the effective hydraulic conductivity of the probed volume, remains rather difficult to infer.

Measuring shear modulus of individual fibers

NASA Astrophysics Data System (ADS)

Behlow, Herbert; Saini, Deepika; Oliviera, Luciana; Skove, Malcolm; Rao, Apparao

2014-03-01

Fiber technology has advanced to new heights enabling tailored mechanical properties. For reliable fiber applications their mechanical properties must be well characterized at the individual fiber level. Unlike the tensile modulus, which can be well studied in a single fiber, the present indirect and dynamic methods of measuring the shear properties of fibers suffer from various disadvantages such as the interaction between fibers and the influence of damping. In this talk, we introduce a quasi-static method to directly measure the shear modulus of a single micron-sized fiber. Our simple and inexpensive setup yields a shear modulus of 16 and 2 GPa for a single IM7 carbon fiber and a Kevlar fiber, respectively. Furthermore, our setup is also capable of measuring the creep, hysteresis and the torsion coefficient, and examples of these will be presented.

Exploring the Utilization of Low-Pressure, Piston-Cylinder Experiments to Determine the Bulk Compositions of Finite, Precious Materials

NASA Technical Reports Server (NTRS)

Vander Kaaden, K. E.; McCubbin, F. M.; Harrington, A. D.

2017-01-01

Determining the bulk composition of precious materials with a finite mass (e.g., meteorite samples) is extremely important in the fields of Earth and Planetary Science. From meteorite studies we are able to place constraints on large scale planetary processes like global differentiation and subsequent volcanism, as well as smaller scale processes like crystallization in a magma chamber or sedimentary compaction at the surface. However, with meteorite samples in particular, far too often we are limited by how precious the sample is as well as its limited mass. In this study, we have utilized aliquots of samples previously studied for toxicological hazards, including both the fresh samples (lunar mare basalt NWA 4734, lunar regolith breccia NWA 7611, martian basalt Tissint, martian regolith breccia NWA 7034, a vestian basalt Berthoud, a vestian regolith breccia NWA 2060, and a terrestrial mid-ocean ridge basalt (MORB)), and those that underwent iron leaching (Tissint, NWA 7034, NWA 4734, MORB). With these small masses of material, we performed low pressure (approx. 0.75 GPa), high temperature (greater than 1600 degrees Celsius) melting experiments. Each sample was analyzed using a JEOL 8530F electron microprobe to determine the bulk composition of the materials that were previously examined. When available, the results of our microprobe data were compared with bulk rock compositions in the literature. The results of this study show that with this technique, only approx. 50 mg of sample is required to accurately determine the bulk composition of the materials of interest.

Electronic, ductile, phase transition and mechanical properties of Lu-monopnictides under high pressures.

PubMed

Gupta, Dinesh C; Bhat, Idris Hamid

2013-12-01

The structural, elastic and electronic properties of lutatium-pnictides (LuN, LuP, LuAs, LuSb, and LuBi) were analyzed by using full-potential linearized augmented plane wave within generalized gradient approximation in the stable rock-salt structure (B1 phase) with space group Fm-3m and high-pressure CsCl structure (B2 phase) with space group Pm-3m. Hubbard-U and spin-orbit coupling were included to predict correctly the semiconducting band gap of LuN. Under compression, these materials undergo first-order structural transitions from B1 to B2 phases at 241, 98, 56.82, 25.2 and 32.3 GPa, respectively. The computed elastic properties show that LuBi is ductile by nature. The electronic structure calculations show that LuN is semiconductor at ambient conditions with an indirect band gap of 1.55 eV while other Lu-pnictides are metallic. It was observed that LuN shows metallization at high pressures. The structural properties, viz, equilibrium lattice constant, bulk modulus and its pressure derivative, transition pressure, equation of state, volume collapse, band gap and elastic moduli, show good agreement with available data.

Pressure-induced structural phase transition in transition metal carbides TMC (TM = Ru, Rh, Pd, Os, Ir, Pt): a DFT study

NASA Astrophysics Data System (ADS)

Manikandan, M.; Rajeswarapalanichamy, R.; Iyakutti, K.

2018-03-01

First-principles calculations based on density functional theory was performed to analyse the structural stability of transition metal carbides TMC (TM = Ru, Rh, Pd, Os, Ir, Pt). It is observed that zinc-blende phase is the most stable one for these carbides. Pressure-induced structural phase transition from zinc blende to NiAs phase is predicted at the pressures of 248.5 GPa, 127 GPa and 142 GPa for OsC, IrC and PtC, respectively. The electronic structure reveals that RuC exhibits a semiconducting behaviour with an energy gap of 0.7056 eV. The high bulk modulus values of these carbides indicate that these metal carbides are super hard materials. The high B/G value predicts that the carbides are ductile in their most stable phase.

Measurement of viscosity and elasticity of lubricants at high pressures

NASA Technical Reports Server (NTRS)

Rein, R. G., Jr.; Charng, T. T.; Sliepcevich, C. M.; Ewbank, W. J.

1975-01-01

The oscillating quartz crystal viscometer has been used to investigate possible viscoelastic behavior in synthetic lubricating fluids and to obtain viscosity-pressure-temperature data for these fluids at temperatures to 300 F and pressures to 40,000 psig. The effect of pressure and temperature on the density of the test fluids was measured concurrently with the viscosity measurements. Viscoelastic behavior of one fluid, di-(2-ethylhexyl) sebacate, was observed over a range of pressures. These data were used to compute the reduced shear elastic (storage) modulus and reduced loss modulus for this fluid at atmospheric pressure and 100 F as functions of reduced frequency.

Compressibility behaviour of conducting ceramic TiB2

NASA Astrophysics Data System (ADS)

Arpita Aparajita, A. N.; Kumar, N. R. Sanjay; Shekar, N. V. Chandra; Kalavathi, S.

2017-09-01

To address the large spread in the bulk modulus value of TiB2 reported in literature, high pressure compressibility study of a phase pure polycrystalline sample has been carried out using in situ high pressure x-ray diffraction technique (HPXRD) in angle dispersive mode. The study has been done up to 23 GPa at ambient temperature with methanol-ethanol-water (MEW) as pressure transmitting medium. The hexagonal lattice has been found to be stable in the pressure range studied. The isothermal bulk modulus is estimated to be 333(6) GPa by employing 3rd order Birch-Murnaghan equation of state. The obtained high value of bulk modulus is understood in terms of band filling effect, and the nature of bonding between B-B and Ti-B in TiB2. Compressibility along ‘a’ and ‘c’ axis is found to be anisotropic with compressibility values of 0.93(2) TPa-1 and 1.14(2) TPa-1 respectively. From the estimated bond lengths for Ti-B and B-B it is found that B-B bonds are less compressible compared to Ti-B bonds which is in accordance with the respective nature of Ti-B and B-B bonds. A change in the rate of bond contraction was seen around 12 GPa which is due to the bond hardening for both Ti-B and B-B bonds with pressure.

Stiff, light, strong and ductile: nano-structured High Modulus Steel.

PubMed

Springer, H; Baron, C; Szczepaniak, A; Uhlenwinkel, V; Raabe, D

2017-06-05

Structural material development for lightweight applications aims at improving the key parameters strength, stiffness and ductility at low density, but these properties are typically mutually exclusive. Here we present how we overcome this trade-off with a new class of nano-structured steel - TiB 2 composites synthesised in-situ via bulk metallurgical spray-forming. Owing to the nano-sized dispersion of the TiB 2 particles of extreme stiffness and low density - obtained by the in-situ formation with rapid solidification kinetics - the new material has the mechanical performance of advanced high strength steels, and a 25% higher stiffness/density ratio than any of the currently used high strength steels, aluminium, magnesium and titanium alloys. This renders this High Modulus Steel the first density-reduced, high stiffness, high strength and yet ductile material which can be produced on an industrial scale. Also ideally suited for 3D printing technology, this material addresses all key requirements for high performance and cost effective lightweight design.

Controlled multiple neutral planes by low elastic modulus adhesive for flexible organic photovoltaics.

PubMed

Kim, Wansun; Lee, Inhwa; Yoon Kim, Dong; Yu, Youn-Yeol; Jung, Hae-Yoon; Kwon, Seyeoul; Seo Park, Weon; Kim, Taek-Soo

2017-05-12

To protect brittle layers in organic photovoltaic devices, the mechanical neutral plane strategy can be adopted through placing the brittle functional materials close to the neutral plane where stress and strain are zero during bending. However, previous research has been significantly limited in the location and number of materials to protect through using a single neutral plane. In this study, multiple neutral planes are generated using low elastic modulus adhesives and are controlled through quantitative analyses in order to protect the multiple brittle materials at various locations. Moreover, the protection of multiple brittle layers at various locations under both concave and convex bending directions is demonstrated. Multilayer structures that have soft adhesives are further analyzed using the finite element method analysis in order to propose guidelines for structural design when employing multiple neutral planes.

High-Temperature and High-Pressure Study of Electronic and Thermal Properties of PbTaO3 and SnAlO3 Metal Perovskites by Density Functional Theory Calculations

NASA Astrophysics Data System (ADS)

Khandy, Shakeel Ahmad; Islam, Ishtihadah; Ganai, Zahid Saleem; Gupta, Dinesh C.; Parrey, Khursheed Ahmad

2018-01-01

First principles calculations on the thermodynamic properties of PbTaO3 and SnAlO3 in a temperature range from 0 K to 800 K and pressure range from 0 GPa to 30 GPa have been carried out within the framework of density functional theory (DFT). The band structures of these oxides at different pressures display an increase in metallic character with a concomitant decrease in lattice constants, while the bulk modulus increases with increasing pressure. The thermal concert of these materials has been analyzed in terms of the temperature and pressure variation in Debye temperature, thermal expansion, entropy, and the Grüneisen parameter. Debye temperatures have been calculated from the elastic parameters as well as the quasi-harmonic Debye model, which are 339.07 GPa for PbTaO3 and 714.36 GPa for SnAlO3.

Lattice dynamics and thermomechanical properties of zirconium(IV) chloride: Evidence for low-temperature negative thermal expansion

DOE PAGES

Kim, Eunja; Weck, Philippe F.; Borjas, Rosendo; ...

2017-11-01

For this research, the crystal structure, lattice dynamics and themomechanical properties of bulk monoclinic zirconium tetrachloride (ZrCl 4) have been investigated using zero-damping dispersion-corrected density functional theory [DFT-D3(zero)]. Phonon analysis reveals that ZrCl 4(cr) undergoes negative thermal expansion (NTE) near T≈10 K, with a coefficient of thermal expansion of α=-1.2 ppm K -1 and a Grüneisen parameter of γ=-1.1. The bulk modulus is predicted to vary from K 0=8.7 to 7.0 GPa in the temperature range 0–550 K. Lastly, the isobaric molar heat capacity derived from phonon calculations within the quasi-harmonic approximation is in fair agreement with existing calorimetric data.

Lattice dynamics and thermomechanical properties of zirconium(IV) chloride: Evidence for low-temperature negative thermal expansion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Eunja; Weck, Philippe F.; Borjas, Rosendo

For this research, the crystal structure, lattice dynamics and themomechanical properties of bulk monoclinic zirconium tetrachloride (ZrCl 4) have been investigated using zero-damping dispersion-corrected density functional theory [DFT-D3(zero)]. Phonon analysis reveals that ZrCl 4(cr) undergoes negative thermal expansion (NTE) near T≈10 K, with a coefficient of thermal expansion of α=-1.2 ppm K -1 and a Grüneisen parameter of γ=-1.1. The bulk modulus is predicted to vary from K 0=8.7 to 7.0 GPa in the temperature range 0–550 K. Lastly, the isobaric molar heat capacity derived from phonon calculations within the quasi-harmonic approximation is in fair agreement with existing calorimetric data.

Ultrahigh pressure deformation of polycrystaline hcp-cobalt

NASA Astrophysics Data System (ADS)

Merkel, S.; Antonangeli, D.; Fiquet, G.; Yagi, T.

2003-12-01

During the past few years, a novel set of methods has been developed allowing direct measurements on elasticity and rheology under static ultrahigh pressures using synchrotron x-ray diffraction and the diamond anvil cell. In particular, the analysis on the development of texture and uniaxial stress in a polycrystalline sample under ultrahigh pressure and non-hydrostatic conditions yielded to very interesting results on the microscopic deformation mechanisms and strength of MgO, silicate perovskite or ɛ -Fe [eg. Merkel et al. 2002, Merkel et al. 2003]. However, our understanding of the properties of the ɛ phase of iron remains poor. There are considerable uncertainties and disagreement on the results of various experiments or first-principles calculations. In particular, the results of the radial diffraction measurement on ɛ -Fe [Mao et al. 1998] have been highly controversial. In order to address this issue, we performed investigations on polycrystalline hcp-cobalt. Its properties such as the bulk modulus and thermal expansion are very close to those of ɛ -Fe and it is readily available under ambient conditions. Thus, it is a well known material and results from the high pressure radial diffraction experiments can be compared with those from well-established techniques. In the present analysis, we performed a new set a measurements between 0 and 20 GPa under ambient temperature conditions at the ESRF synchrotron source using amorphous boron gasket, monochromatic x-ray beam, and imaging plate techniques. From such an experiment, we are able to extract information on non-hydrostatic stress, elasticity, and preferred orientations of the sample in-situ under high pressure and compare them with results obtained previously on ɛ -Fe. Documenting the evolution of stress, elasticity and texture in hcp metals is of great interest for our understanding of the bulk properties and seismic anisotropy of the Earth's inner core. S. Merkel et al., J. Geophys. Res. 107 (2002

Evaluation of a high response electrohydraulic digital control valve

NASA Technical Reports Server (NTRS)

Anderson, R. L.

1973-01-01

The application is described of a digital control valve on an electrohydraulic servo actuator. The digital control problem is discussed in general as well as the design and evaluation of a breadboard actuator. The evaluation revealed a number of problems associated with matching the valve to a hydraulic load. The problems were related to lost motion resulting from bulk modulus and leakage. These problems were effectively minimized in the breadboard actuator by maintaining a 1000 psi back pressure on the valve circuit and thereby improving the effective bulk modulus.

Structural zeroes and zero-inflated models.

PubMed

He, Hua; Tang, Wan; Wang, Wenjuan; Crits-Christoph, Paul

2014-08-01

In psychosocial and behavioral studies count outcomes recording the frequencies of the occurrence of some health or behavior outcomes (such as the number of unprotected sexual behaviors during a period of time) often contain a preponderance of zeroes because of the presence of 'structural zeroes' that occur when some subjects are not at risk for the behavior of interest. Unlike random zeroes (responses that can be greater than zero, but are zero due to sampling variability), structural zeroes are usually very different, both statistically and clinically. False interpretations of results and study findings may result if differences in the two types of zeroes are ignored. However, in practice, the status of the structural zeroes is often not observed and this latent nature complicates the data analysis. In this article, we focus on one model, the zero-inflated Poisson (ZIP) regression model that is commonly used to address zero-inflated data. We first give a brief overview of the issues of structural zeroes and the ZIP model. We then given an illustration of ZIP with data from a study on HIV-risk sexual behaviors among adolescent girls. Sample codes in SAS and Stata are also included to help perform and explain ZIP analyses.

Resilient modulus of compacted crushed stone aggregate bases.

DOT National Transportation Integrated Search

2007-11-07

The main goal of this study was to establish a simple and efficient means of predicting the resilient modulus of different types of Kentucky crushed stone aggregate bases. To accomplish this purpose, resilient modulus of different tests were performe...

Intermittent, moderate-intensity aerobic exercise for only eight weeks reduces arterial stiffness: evaluation by measurement of stiffness parameter and pressure-strain elastic modulus by use of ultrasonic echo tracking.

PubMed

Tanaka, Midori; Sugawara, Motoaki; Ogasawara, Yasuo; Izumi, Tadafumi; Niki, Kiyomi; Kajiya, Fumihiko

2013-04-01

Aerobic exercise has been reported to be associated with reduced arterial stiffness. However, the intensity, duration, and frequency of aerobic exercise required to improve arterial stiffness have not been established. In addition, most reports base their conclusions on changes in pulse wave velocity, which is an indirect index of arterial stiffness. We studied the effects of short-term, intermittent, moderate-intensity exercise training on arterial stiffness based on measurements of the stiffness parameter (β) and pressure-strain elastic modulus (E p), which are direct indices of regional arterial stiffness. A total of 25 young healthy volunteers (18 men) were recruited. By use of ultrasonic diagnostic equipment we measured β and E p of the carotid artery before and after 8 weeks of exercise training. After exercise training, systolic pressure (P s), diastolic pressure (P d), pulse pressure, systolic arterial diameter (D s), and diastolic arterial diameter (D d) did not change significantly. However, the pulsatile change in diameter ((D s - D d)/D d) increased significantly, and β and E p decreased significantly. For healthy young subjects, β and E p were reduced by intermittent, moderate-intensity exercise training for only 8 weeks.

The study of stiffness modulus values for AC-WC pavement

NASA Astrophysics Data System (ADS)

Lubis, AS; Muis, Z. A.; Iskandar, T. D.

2018-02-01

One of the parameters of the asphalt mixture in order for the strength and durability to be achieved as required is the stress-and-strain showing the stiffness of a material. Stiffness modulus is a very necessary factor that will affect the performance of asphalt pavements. If the stiffness modulus value decreases there will be a cause of aging asphalt pavement crack easily when receiving a heavy load. The high stiffness modulus asphalt concrete causes more stiff and resistant to bending. The stiffness modulus value of an asphalt mixture material can be obtained from the theoretical (indirect methods) and laboratory test results (direct methods). For the indirect methods used Brown & Brunton method, and Shell Bitumen method; while for the direct methods used the UMATTA tool. This study aims to determine stiffness modulus values for AC-WC pavement. The tests were conducted in laboratory that used 3 methods, i.e. Brown & Brunton Method, Shell Bitumen Method and Marshall Test as a substitute tool for the UMATTA tool. Hotmix asphalt made from type AC-WC with pen 60/70 using a mixture of optimum bitumen content was 5.84% with a standard temperature variation was 60°C and several variations of temperature that were 30, 40, 50, 70 and 80°C. The stiffness modulus value results obtained from Brown & Brunton Method, Shell Bitumen Method and Marshall Test which were 1374,93 Mpa, 235,45 Mpa dan 254,96 Mpa. The stiffness modulus value decreases with increasing temperature of the concrete asphalt. The stiffness modulus value from the Bitumen Shell method and the Marshall Test has a relatively similar value.The stiffness modulus value from the Brown & Brunton method is greater than the Bitumen Shell method and the Marshall Test, but can not measure the stiffness modulus value at temperature above 80°C.

Computer simulation of the matrix-inclusion interphase in bulk metallic glass based nanocomposites

NASA Astrophysics Data System (ADS)

Kokotin, V.; Hermann, H.; Eckert, J.

2011-10-01

Atomistic models for matrix-inclusion systems are generated. Analyses of the systems show that interphase layers of finite thickness appear interlinking the surface of the nanocrystalline inclusion and the embedding amorphous matrix. In a first approximation, the interphase is characterized as an amorphous structure with a density slightly reduced compared to that of the matrix. This result holds for both monatomic hard sphere systems and a Cu47.5Zr47.5Al5 alloy simulated by molecular dynamics (MD). The elastic shear and bulk modulus of the interphase are calculated by simulated deformation of the MD systems. Both moduli diminish with decreasing density but the shear modulus is more sensitive against density reduction by one order of magnitude. This result explains recent observations of shear band initiation at the amorphous-crystalline interface during plastic deformation.

Tunable Transmission and Deterministic Interface states in Double-zero-index Acoustic Metamaterials.

PubMed

Zhao, Wei; Yang, Yuting; Tao, Zhi; Hang, Zhi Hong

2018-04-20

Following the seminal work by Dubois et al. (Nat. Commun. 8, 14871 (2017)), we study a double-zero-index acoustic metamaterial with triangular lattice. By varying the height and diameter of air scatterers inside a parallel-plate acoustic waveguide, acoustic dispersion of the first-order waveguide mode can be manipulated and various interesting properties are explored. With accidental degeneracy of monopolar and dipolar modes, we numerically prove the double-zero-index properties of this novel acoustic metamaterial. Acoustic waveguides with tunable and asymmetric transmission are realized with this double-zero-index acoustic metamaterial embedded. Band inversion occurs if the bulk acoustic band diagram of this acoustic metamaterial is tuned. Deterministic interface states are found to exist on the interface between two acoustic metamaterials with inverted band diagrams.

Predicting burst pressure of radiofrequency-induced colorectal anastomosis by bio-impedance measurement.

PubMed

Zhao, Lingxi; Zhou, Yu; Song, Chengli; Wang, Zhigang; Cuschieri, Alfred

2017-03-01

The present study investigates the relationship between bio-impedance and burst pressure of colorectal anastomosis created by radiofrequency (RF)-induced tissue fusion. Colorectal anastomosis were created with ex vivo porcine colorectal segments, during which 5 levels of compression pressure were applied by a custom-made bipolar prototype, with 5 replicate experiments at each compression pressure. Instant anastomotic tensile strength was assessed by burst pressure. Bio-impedance of fused tissue was measured by Impedance Analyzer across frequency that 100 Hz to 3 MHz. Statistical analysis shows only a weak correlation between bio-impedance modulus and burst pressures at frequency of 445 kHz ([Formula: see text]  =  -0.426, P  =  0.099  >  0.05). In contrast, results demonstrated a highly significant negative correlation between reactance modulus and burst pressures ([Formula: see text]  =  -0.812, P  =  0.000  <  0.05). The decrease in mean reactance modulus with increasing burst pressures was highly significant (P  =  0.019  <  0.05). The observed strong negative correlation between reactance modulus and burst pressures at frequency of 445 kHz indicates that reactance is likely to be a good index for tensile strength of RF-induced colorectal anastomosis, and should be considered for inclusion in a feedback loops in devices design.

Crystal structures and compressibility of novel iron borides Fe{sub 2}B{sub 7} and Fe{sub x}B{sub 50} synthesized at high pressure and high temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bykova, E., E-mail: elena.bykova@uni-bayreuth.de; Laboratory of Crystallography, University of Bayreuth, D-95440 Bayreuth; Gou, H.

2015-10-15

We present here a detailed description of the crystal structures of novel iron borides, Fe{sub 2}B{sub 7} and Fe{sub x}B{sub 50} with various iron content (x=1.01(1), 1.04(1), 1.32(1)), synthesized at high pressures and high temperatures. As revealed by high-pressure single-crystal X-ray diffraction, the structure of Fe{sub 2}B{sub 7} possesses short incompressible B–B bonds, which make it as stiff as diamond in one crystallographic direction. The volume compressibility of Fe{sub 2}B{sub 7} (the bulk modulus K{sub 0}= 259(1.8) GPa, K{sub 0}′= 4 (fixed)) is even lower than that of FeB{sub 4} and comparable with that of MnB{sub 4}, known for highmore » bulk moduli among 3d metal borides. Fe{sub x}B{sub 50} adopts the structure of the tetragonal δ-B, in which Fe atoms occupy an interstitial position. Fe{sub x}B{sub 50} does not show considerable anisotropy in the elastic behavior. - Graphical abstract: Crystal structures of novel iron borides, Fe{sub 2}B{sub 7} and Fe{sub x}B{sub 50} (x=1.01(1), 1.04(1), 1.32(1)). - Highlights: • Novel iron borides, Fe{sub 2}B{sub 7} and Fe{sub x}B{sub 50}, were synthesized under HPHT conditions. • Fe{sub 2}B{sub 7} has a unique orthorhombic structure (space group Pbam). • Fe{sub 2}B{sub 7} possesses short incompressible B–B bonds that results in high bulk modulus. • Fe{sub x}B{sub 50} adopts the structure of the tetragonal δ-B composed of B{sub 12} icosahedra. • In Fe{sub x}B{sub 50} intraicosahedral bonds are stiffer than intericosahedral ones.« less

Majorana zero modes in Dirac semimetal Josephson junctions

NASA Astrophysics Data System (ADS)

Li, Chuan; de Boer, Jorrit; de Ronde, Bob; Huang, Yingkai; Golden, Mark; Brinkman, Alexander

We have realized proximity-induced superconductivity in a Dirac semimetal and revealed the topological nature of the superconductivity by the observation of Majorana zero modes. As a Dirac semimetal, Bi0.97Sb0.03 is used, where a three-dimensional Dirac cone exists in the bulk due to an accidental touching between conduction and valence bands. Electronic transport measurements on Hall-bars fabricated out of Bi0.97Sb0.03 flakes consistently show negative magnetoresistance for magnetic fields parallel to the current, which is associated with the chiral anomaly. In perpendicular magnetic fields, we see Shubnikov-de Haas oscillations that indicate very low carrier densities. The low Fermi energy and protection against backscattering in our Dirac semimetal Josephson junctions provide favorable conditions for a large contribution of Majorana zero modes to the supercurrent. In radiofrequency irradiation experiments, we indeed observe these Majorana zero modes in Nb-Bi0.97Sb0.03-Nb Josephson junctions as a 4 π periodic contribution to the current-phase relation.

Classical impurities and boundary Majorana zero modes in quantum chains

NASA Astrophysics Data System (ADS)

Müller, Markus; Nersesyan, Alexander A.

2016-09-01

We study the response of classical impurities in quantum Ising chains. The Z2 degeneracy they entail renders the existence of two decoupled Majorana modes at zero energy, an exact property of a finite system at arbitrary values of its bulk parameters. We trace the evolution of these modes across the transition from the disordered phase to the ordered one and analyze the concomitant qualitative changes of local magnetic properties of an isolated impurity. In the disordered phase, the two ground states differ only close to the impurity, and they are related by the action of an explicitly constructed quasi-local operator. In this phase the local transverse spin susceptibility follows a Curie law. The critical response of a boundary impurity is logarithmically divergent and maps to the two-channel Kondo problem, while it saturates for critical bulk impurities, as well as in the ordered phase. The results for the Ising chain translate to the related problem of a resonant level coupled to a 1d p-wave superconductor or a Peierls chain, whereby the magnetic order is mapped to topological order. We find that the topological phase always exhibits a continuous impurity response to local fields as a result of the level repulsion of local levels from the boundary Majorana zero mode. In contrast, the disordered phase generically features a discontinuous magnetization or charging response. This difference constitutes a general thermodynamic fingerprint of topological order in phases with a bulk gap.

Thermal conductivity, bulk properties, and thermal stratigraphy of silicic tuffs from the upper portion of hole USW-G1, Yucca Mountain, Nye County, Nevada

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lappin, A.R.; VanBuskirk, R.G.; Enniss, D.O.

1982-03-01

Thermal-conductivity and bulk-property measurements were made on welded and nonwelded silicic tuffs from the upper portion of Hole USW-G1, located near the southwestern margin of the Nevada Test Site. Bulk-property measurements were made by standard techniques. Thermal conductivities were measured at temperatures as high as 280{sup 0}C, confining pressures to 10 MPa, and pore pressures to 1.5 MPa. Extrapolation of measured saturated conductivities to zero porosity suggests that matrix conductivity of both zeolitized and devitrified tuffs is independent of stratigraphic position, depth, and probably location. This fact allows development of a thermal-conductivity stratigraphy for the upper portion of Hole G1.more » Estimates of saturated conductivities of zeolitized nonwelded tuffs and devitrified tuffs below the water table appear most reliable. Estimated conductivities of saturated densely welded devitrified tuffs above the water table are less reliable, due to both internal complexity and limited data presently available. Estimation of conductivity of dewatered tuffs requires use of different air thermal conductivities in devitrified and zeolitized samples. Estimated effects of in-situ fracturing generally appear negligible.« less

Determination of elastic modulus of ceramics using ultrasonic testing

NASA Astrophysics Data System (ADS)

Sasmita, Firmansyah; Wibisono, Gatot; Judawisastra, Hermawan; Priambodo, Toni Agung

2018-04-01

Elastic modulus is important material property on structural ceramics application. However, bending test as a common method for determining this property require particular specimen preparation. Furthermore, elastic modulus of ceramics could vary because it depends on porosity content. For structural ceramics industry, such as ceramic tiles, this property is very important. This drives the development of new method to improve effectivity or verification method as well. In this research, ultrasonic testing was conducted to determine elastic modulus of soda lime glass and ceramic tiles. The experiment parameter was frequency of probe (1, 2, 4 MHz). Characterization of density and porosity were also done for analysis. Results from ultrasonic testing were compared with elastic modulus resulted from bending test. Elastic modulus of soda-lime glass based on ultrasonic testing showed excellent result with error 2.69% for 2 MHz probe relative to bending test result. Testing on red and white ceramic tiles were still contained error up to 41% and 158%, respectively. The results for red ceramic tile showed trend that 1 MHz probe gave better accuracy in determining elastic modulus. However, testing on white ceramic tile showed different trend. It was due to the presence of porosity and near field effect.

Laminated beams: deflection and stress as a function of epoxy shear modulus

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bialek, J.

1976-01-01

The large toroidal field coil deflections observed during the PLT power test are due to the poor shear behavior of the insulation material used between layers of copper. Standard techniques for analyzing such laminated structures do not account for this effect. This paper presents an analysis of laminated beams that corrects this deficiency. The analysis explicitly models the mechanical behavior of each layer in a laminated beam and hence avoids the pitfalls involved in any averaging technique. In particular, the shear modulus of the epoxy in a laminated beam (consisting of alternate layers of metal and epoxy) may span themore » entire range of values from zero to classical. Solution of the governing differential equations defines the stress, strain, and deflection for any point within a laminated beam. The paper summarizes these governing equations and also includes a parametric study of a simple laminated beam.« less

Factors that influence muscle shear modulus during passive stretch.

PubMed

Koo, Terry K; Hug, François

2015-09-18

Although elastography has been increasingly used for evaluating muscle shear modulus associated with age, sex, musculoskeletal, and neurological conditions, its physiological meaning is largely unknown. This knowledge gap may hinder data interpretation, limiting the potential of using elastography to gain insights into muscle biomechanics in health and disease. We derived a mathematical model from a widely-accepted Hill-type passive force-length relationship to gain insight about the physiological meaning of resting shear modulus of skeletal muscles under passive stretching, and validated the model by comparing against the ex-vivo animal data reported in our recent work (Koo et al. 2013). The model suggested that resting shear modulus of a slack muscle is a function of specific tension and parameters that govern the normalized passive muscle force-length relationship as well as the degree of muscle anisotropy. The model also suggested that although the slope of the linear shear modulus-passive force relationship is primarily related to muscle anatomical cross-sectional area (i.e. the smaller the muscle cross-sectional area, the more the increase in shear modulus to result in the same passive muscle force), it is also governed by the normalized passive muscle force-length relationship and the degree of muscle anisotropy. Taken together, although muscle shear modulus under passive stretching has a strong linear relationship with passive muscle force, its actual value appears to be affected by muscle's mechanical, material, and architectural properties. This should be taken into consideration when interpreting the muscle shear modulus values. Copyright © 2015 Elsevier Ltd. All rights reserved.

Coronary microvascular dysfunction after myocardial infarction: increased coronary zero flow pressure both in the infarcted and in the remote myocardium is mainly related to left ventricular filling pressure.

PubMed

Van Herck, P L; Carlier, S G; Claeys, M J; Haine, S E; Gorissen, P; Miljoen, H; Bosmans, J M; Vrints, C J

2007-10-01

To investigate the underlying mechanisms of a decreased coronary flow reserve after myocardial infarction (MI) by analysing the characteristics of the diastolic hyperaemic coronary pressure-flow relationship. Prospective study. Tertiary care hospital. 68 patients with a recent MI and 27 patients with stable angina pectoris (AP; control group). The intercept with the pressure axis (the zero flow pressure or Pzf) and slope index of the pressure-flow relationship (SIPF) were calculated from the simultaneously recorded hyperaemic intracoronary blood flow velocity and aortic pressure after successful coronary stenting. A stepwise increase in Pzf from AP (14.6 (8.0) mm Hg), over non-Q-wave MI (22.5 (9.1) mm Hg), to Q-wave MI (37.1 (12.9) mm Hg; p<0.001) was observed. Similar changes in Pzf were found in a reference artery perfusing the non-infarcted myocardium. Multivariate analysis showed that in both regions the left ventricular end-diastolic pressure (LVEDP) was the most important determinant of the Pzf. The SIPF was not statistically different in the treated vessel between patients with MI and AP, but was increased in MI patients with a markedly increased LVEDP. After an MI, the coronary pressure-flow relationship is shifted to the right both in the infarcted and in the non-infarcted remote myocardium, as shown by the increased Pzf. The correlation with Pzf suggests that elevated left ventricular filling pressures contribute to the impediment of myocardial perfusion in patients with infarction.

A Modified Mixing Length Turbulence Model for Zero and Adverse Pressure Gradients. M.S. Thesis - Akron Univ., 1993

NASA Technical Reports Server (NTRS)

Conley, Julianne M.; Leonard, B. P.

1994-01-01

The modified mixing length (MML) turbulence model was installed in the Proteus Navier-Stokes code, then modified to make it applicable to a wider range of flows typical of aerospace propulsion applications. The modifications are based on experimental data for three flat-plate flows having zero, mild adverse, and strong adverse pressure gradients. Three transonic diffuser test cases were run with the new version of the model in order to evaluate its performance. All results are compared with experimental data and show improvements over calculations made using the Baldwin-Lomax turbulence model, the standard algebraic model in Proteus.

Mechanical Anisotropic and Electronic Properties of Amm2-carbon under Pressure*

NASA Astrophysics Data System (ADS)

Xing, Meng-Jiang; Li, Xiao-Zhen; Yu, Shao-Jun; Wang, Fu-Yan

2017-09-01

Structural, electronic properties and mechanical anisotropy of Amm2-carbon are investigated utilizing frist-principles calculations by Cambridge Serial Total Energy Package (CASTEP) code. The work is performed with the generalized gradient approximation in the form of Perdew-Burke-Ernzerhof (PBE), PBEsol, Wu and Cohen (WC) and local density approximation in the form of Ceperley and Alder data as parameterized by Perdew and Zunger (CA-PZ). The mechanical anisotropy calculations show that Amm2-carbon exhibit large anisotropy in elastic moduli, such as Poisson’s ratio, shear modulus and Young’s modulus, and other anisotropy factors, such as the shear anisotropic factor and the universal anisotropic index AU. It is interestingly that the anisotropy in shear modulus and Young’s modulus, universal anisotropic index and the shear anisotropic factor all increases with increasing pressure, but the anisotropy in Poisson’s ratio decreases. The band structure calculations reveal that Amm2-carbon is a direct-band-gap semiconductor at ambient pressure, but with the pressure increasing, it becomes an indirect-band-gap semiconductor.

Quantitative photoacoustic elastography of Young's modulus in humans

NASA Astrophysics Data System (ADS)

Hai, Pengfei; Zhou, Yong; Gong, Lei; Wang, Lihong V.

2017-03-01

Elastography can noninvasively map the elasticity distribution of biological tissue, which is often altered in pathological states. In this work, we report quantitative photoacoustic elastography (QPAE), capable of measuring Young's modulus of human tissue in vivo. By combining photoacoustic elastography with a stress sensor having known stress-strain behavior, QPAE can simultaneously measure strain and stress, from which Young's modulus is calculated. We first applied QPAE to quantify the Young's modulus of tissue-mimicking agar phantoms with different concentrations. The measured values fitted well with both the empirical expectations based on the agar concentrations and those measured in independent standard compression tests. We then demonstrated the feasibility of QPAE by measuring the Young's modulus of human skeletal muscle in vivo. The data showed a linear relationship between muscle stiffness and loading. The results proved that QPAE can noninvasively quantify the absolute elasticity of biological tissue, thus enabling longitudinal imaging of tissue elasticity. QPAE can be exploited for both preclinical biomechanics studies and clinical applications.

The structural properties of Zr-based bulk metallic glasses subjected to high pressure torsion at different temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boltynjuk, E. V., E-mail: boltynjuk@gmail.com; Ubyivovk, E. V.; Kshumanev, A. M.

2016-06-17

The structural properties of a Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} bulk metallic glasses were investigated. Cylindrical rods of the Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} BMG were subjected to high pressure torsion at temperatures of 20°C and 150°C. X-ray diffraction, transmission electron microscopy were used to determine peculiarities of the modified structure. Analysis of fracture surfaces, nanohardness measurements were conducted to investigate the influence of structural changes on mechanical behavior of processed samples.

Leaf Pressure Volume Data in Caxiuana and Tapajos National Forest, Para, Brazil (2011)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Powell, Thomas; Moorcroft, Paul

Pressure volume curve measurements on leaves of canopy trees from the from the Caxiuana and Tapajos National Forests, Para, Brazil. Tapajos samples were harvested from the km 67 forested area, which is adjacent to the decommissioned throughfall exclusion drought experimental plot. Caxiuana samples were harvested from trees growing in the throughfall exclusion plots. Data were collected in 2011. Dataset includes: date of measurement, site ID, plot ID, tree ID (species, tree tag #), leaf area, fresh weight, relative weight, leaf water potential, and leaf water loss. P-V curve parameters (turgor loss point, osmotic potential, and bulk modulus of elasticity) canmore » be found in Powell et al. (2017) Differences in xylem cavitation resistance and leaf hydraulic traits explain differences in drought tolerance among mature Amazon rainforest trees. Global Change Biology.« less

THERMTRAJ: A FORTRAN program to compute the trajectory and gas film temperatures of zero pressure balloons

NASA Technical Reports Server (NTRS)

Horn, W. J.; Carlson, L. A.

1983-01-01

A FORTRAN computer program called THERMTRAJ is presented which can be used to compute the trajectory of high altitude scientific zero pressure balloons from launch through all subsequent phases of the balloon flight. In addition, balloon gas and film temperatures can be computed at every point of the flight. The program has the ability to account for ballasting, changes in cloud cover, variable atmospheric temperature profiles, and both unconditional valving and scheduled valving of the balloon gas. The program was verified for an extensive range of balloon sizes (from 0.5 to 41.47 million cubic feet). Instructions on program usage, listing of the program source deck, input data and printed and plotted output for a verification case are included.

Sheath and bulk expansion induced by RF bias in atmospheric pressure microwave plasma

NASA Astrophysics Data System (ADS)

Lee, Jimo; Nam, Woojin; Lee, Jae Koo; Yun, Gunsu

2017-10-01

A large axial volume expansion of microwave-driven plasma at atmospheric pressure is achieved by applying a low power radio frequency (RF) bias at an axial location well isolated from the original plasma bulk. The evolution of the plasma plume visualized by high speed ICCD imaging suggest that the free electrons drifting toward the bias electrode cause the prodigious expansion of the sheath, creating a stable plasma stream channel between the microwave and the RF electrodes. For argon plasma in ambient air, enhanced emissions of OH and N2 spectral lines are measured in the extended plume region, supporting the acceleration of electrons and subsequent generation of radical species. The coupling of RF bias with microwave provides an efficient way of enlarging the plasma volume and enhancing the production of radicals. Work supported by the National Research Foundation of Korea under BK21+ program and Grant No. 2015R1D1A1A01061556 (Ministry of Education).

Preliminary Modulus and Breakage Calculations on Cellulose Models

USDA-ARS?s Scientific Manuscript database

The Young’s modulus of polymers can be calculated by stretching molecular models with the computer. The molecule is stretched and the derivative of the changes in stored potential energy for several displacements, divided by the molecular cross-section area, is the stress. The modulus is the slope o...

Achieving Zero Stress in Iridium, Chromium, and Nickel Thin Films

NASA Technical Reports Server (NTRS)

Broadway, David M.; Weimer, Jeffrey; Gurgew, Danielle; Lis, Tomasz; Ramsey, Brian D.; O'Dell, Stephen L.; Ames, A.; Bruni, R.

2015-01-01

We examine a method for achieving zero intrinsic stress in thin films of iridium, chromium, and nickel deposited by magnetron sputter deposition. The examination of the stress in these materials is motivated by efforts to advance the optical performance of light-weight x-ray space telescopes into the regime of sub-arc second resolution that rely on control of the film stress to values within 10-100 MPa. A characteristic feature of the intrinsic stress behavior in chromium and nickel is their sensitivity to the magnitude and sign of the intrinsic stress with argon gas pressure, including the existence of a critical pressure that results in zero film stress. This critical pressure scales linearly with the film's density. While the effect of stress reversal with argon pressure has been previously reported by Hoffman and others for nickel and chromium, we have discovered a similar behavior for iridium. Additionally, we have identified zero stress in iridium shortly after island coalescence. This feature of film growth is used for achieving a total internal stress of -2.89 MPa for a 15.8 nm thick iridium film. The surface roughness of this low-stress film was examined using scanning probe microscopy (SPM) and x-ray reflectivity (XRR) at CuKa and these results presented and discussed.

Time and temperature dependent modulus of pyrrone and polyimide moldings

NASA Technical Reports Server (NTRS)

Lander, L. L.

1972-01-01

A method is presented by which the modulus obtained from a stress relaxation test can be used to estimate the modulus which would be obtained from a sonic vibration test. The method was applied to stress relaxation, sonic vibration, and high speed stress-strain data which was obtained on a flexible epoxy. The modulus as measured by the three test methods was identical for identical test times, and a change of test temperature was equivalent to a shift in the logarithmic time scale. An estimate was then made of the dynamic modulus of moldings of two Pyrrones and two polyimides, using stress relaxation data and the method of analysis which was developed for the epoxy. Over the common temperature range (350 to 500 K) in which data from both types of tests were available, the estimated dynamic modulus value differed by only a few percent from the measured value. As a result, it is concluded that, over the 500 to 700 K temperature range, the estimated dynamic modulus values are accurate.

Bulk Fermi Surface of Charge-Neutral Excitations in SmB_{6} or Not: A Heat-Transport Study.

PubMed

Xu, Y; Cui, S; Dong, J K; Zhao, D; Wu, T; Chen, X H; Sun, Kai; Yao, Hong; Li, S Y

2016-06-17

Recently, there have been increasingly hot debates on whether a bulk Fermi surface of charge-neutral excitations exists in the topological Kondo insulator SmB_{6}. To unambiguously resolve this issue, we perform the low-temperature thermal conductivity measurements of a high-quality SmB_{6} single crystal down to 0.1 K and up to 14.5 T. Our experiments show that the residual linear term of thermal conductivity at the zero field is zero, within the experimental accuracy. Furthermore, the thermal conductivity is insensitive to the magnetic field up to 14.5 T. These results demonstrate the absence of fermionic charge-neutral excitations in bulk SmB_{6}, such as scalar Majorana fermions or spinons and, thus, exclude the existence of a bulk Fermi surface suggested by a recent quantum oscillation study of SmB_{6}. This puts a strong constraint on the explanation of the quantum oscillations observed in SmB_{6}.

Zero Gravity Cryogenic Vent System Concepts for Upper Stages

NASA Astrophysics Data System (ADS)

Ravex, Alain; Flachbart, Robin; Holt, Barney

The capability to vent in zero gravity without resettling is a technology need that involves practically all uses of sub-critical cryogenics in space. Venting without resettling would extend cryogenic orbital transfer vehicle capabilities. However, the lack of definition regarding liquid/ullage orientation coupled with the somewhat random nature of the thermal stratification and resulting pressure rise rates, lead to significant technical challenges. Typically a zero gravity vent concept, termed a thermodynamic vent system (TVS), consists of a tank mixer to destratify the propellant, combined with a Joule-Thomson (J-T) valve to extract thermal energy from the propellant. Marshall Space Flight Center's (MSFC's) Multipurpose Hydrogen Test Bed (MHTB) was used to test both spray bar and axial jet TVS concepts. The axial jet system consists of a recirculation pump heat exchanger unit. The spray bar system consists of a recirculation pump, a parallel flow concentric tube, heat exchanger, and a spray bar positioned close to the longitudinal axis of the tank. The operation of both concepts is similar. In the mixing mode, the recirculation pump withdraws liquid from the tank and sprays it into the tank liquid, ullage, and exposed tank surfaces. When energy extraction is required, a small portion of the recirculated liquid is passed sequentially through the J-T expansion valve, the heat exchanger, and is vented overboard. The vented vapor cools the circulated bulk fluid, thereby removing thermal energy and reducing tank pressure. The pump operates alone, cycling on and off, to destratify the tank liquid and ullage until the liquid vapor pressure reaches the lower set point. At that point, the J-T valve begins to cycle on and off with the pump. Thus, for short duration missions, only the mixer may operate, thus minimizing or even eliminating boil-off losses. TVS performance testing demonstrated that the spray bar was effective in providing tank pressure control within a 6

BWR zero pressure containment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dillmann, C.W.; Townsend, H.E.; Nesbitt, L.B.

1992-02-25

This patent describes the operation of a nuclear reactor system, the system including a containment defining a drywall space wherein a nuclear reactor is disposed, there being a suppression pool in the containment with the suppression pool having a wetwell space above a level of the pool to which an non-condensable gases entering the suppression pool can vent. It comprises: continuously exhausting the wetwell space to remove gas mixture therefrom while admitting inflow of air from an atmospheric source thereof to the wetwell during normal operation by blocking off the inflow during a loss-of-coolant-accident whenever a pressure in the wetwellmore » space is above a predetermined value, and subjecting the gas subsequent to its removal from the wetwell to a treatment operation to separate any particulate material entrained therein from the gas mixture.« less

Characterization of Inorganic Filler Content, Mechanical Properties, and Light Transmission of Bulk-fill Resin Composites.

PubMed

Fronza, B M; Ayres, Apa; Pacheco, R R; Rueggeberg, F A; Dias, Cts; Giannini, M

The aims of this study were to characterize inorganic content (IC), light transmission (LT), biaxial flexural strength (BFS), and flexural modulus (FM) of one conventional (layered) and four bulk-fill composites at different depths. Bulk-fill composites tested were Surefil SDR flow (SDR), Filtek Bulk Fill (FBF), Tetric EvoCeram Bulk Fill (TEC), and EverX Posterior (EXP). Herculite Classic (HER) was used as a control. Energy dispersive x-ray analysis and scanning electron microscopy were used to characterize filler particle composition and morphology. The LT through different composite thicknesses (1, 2, 3, and 4 mm) was measured using a laboratory-grade spectral radiometer system (n=5). For the BFS and FM tests, sets of eight stacked composite discs (0.5-mm thick) were prepared simulating bulk filling of a 4-mm-thick increment (n=8). SDR demonstrated larger, irregular particles than those observed in TEC or HER. Filler particles in FBF were spherical, while those in EXP were composed of fiberglass strands. The LT decreased with increased composite thickness for all materials. Bulk-fill composites allowed higher LT than the HER. Furthermore, HER proved to be the unique material, having lower BFS values at deeper regions. SDR, FBF, and TEC bulk-fill composites presented reduced FM with increasing composite depth. The bulk-fill composites investigated exhibited higher LT, independent of different filler content and characteristics. Although an increase in composite thickness reduced LT, the BFS of bulk-fill composites at deeper layers was not compromised.

ERK activation is required for hydrostatic pressure-induced tensile changes in engineered articular cartilage.

PubMed

DuRaine, G D; Athanasiou, K A

2015-04-01

The objective of this study was to identify ERK 1/2 involvement in the changes in compressive and tensile mechanical properties associated with hydrostatic pressure treatment of self-assembled cartilage constructs. In study 1, ERK 1/2 phosphorylation was detected by immunoblot, following application of hydrostatic pressure (1 h of static 10 MPa) applied at days 10-14 of self-assembly culture. In study 2, ERK 1/2 activation was blocked during hydrostatic pressure application on days 10-14. With pharmacological inhibition of the ERK pathway by the MEK1/ERK inhibitor U0126 during hydrostatic pressure application on days 10-14, the increase in Young's modulus induced by hydrostatic pressure was blocked. Furthermore, this reduction in Young's modulus with U0126 treatment during hydrostatic pressure application corresponded to a decrease in total collagen expression. However, U0126 did not inhibit the increase in aggregate modulus or GAG induced by hydrostatic pressure. These findings demonstrate a link between hydrostatic pressure application, ERK signalling and changes in the biomechanical properties of a tissue-engineered construct. Copyright © 2012 John Wiley & Sons, Ltd.

ERK activation is required for hydrostatic pressure induced-tensile changes in engineered articular cartilage

PubMed Central

DuRaine, G D; Athanasiou, K A

2015-01-01

The objective of this study was to identify the ERK 1/2 involvement in the changes in compressive and tensile mechanical properties associated with hydrostatic pressure treatment of self-assembled cartilage constructs. In study 1, ERK 1/2 phosphorylation was detected by immunoblot following application of hydrostatic pressure (1 hour of static 10MPa) applied at day 10-14 of self-assembly culture. In study 2, ERK 1/2 activation was blocked during hydrostatic pressure application on days 10-14. With pharmacological inhibition of the ERK pathway by the MEK1/ERK inhibitor U0126 during hydrostatic pressure application on days 10-14, the increase in Young’s modulus induced by hydrostatic pressure was blocked. Furthermore, this reduction in Young’s modulus with U0126 treatment during hydrostatic pressure application corresponded with a decrease in total collagen expression. However, U0126 did not inhibit the increase in aggregate modulus or GAG induced by hydrostatic pressure. These findings demonstrate a link between hydrostatic pressure application, ERK signaling, and changes in biomechanical properties of a tissue engineered construct. PMID:23255524

The Modulus of Rupture from a Mathematical Point of View

NASA Astrophysics Data System (ADS)

Quintela, P.; Sánchez, M. T.

2007-04-01

The goal of this work is to present a complete mathematical study about the three-point bending experiments and the modulus of rupture of brittle materials. We will present the mathematical model associated to three-point bending experiments and we will use the asymptotic expansion method to obtain a new formula to calculate the modulus of rupture. We will compare the modulus of rupture of porcelain obtained with the previous formula with that obtained by using the classic theoretical formula. Finally, we will also present one and three-dimensional numerical simulations to compute the modulus of rupture.

Elasto-optics in double-coated optical fibers induced by axial strain and hydrostatic pressure.

PubMed

Yang, Yu-Ching; Lee, Haw-Long; Chou, Huann-Ming

2002-04-01

Stresses, microbending loss, and refractive-index changes induced simultaneously by axial strain and hydrostatic pressure in double-coated optical fibers are analyzed. The lateral pressure and normal stresses in the optical fiber, primary coating, and secondary coating are derived. Also presented are the microbending loss and refractive-index changes in the glass fiber. The normal stresses are affected by axial strain, hydrostatic pressure, material properties, and thickness of the primary and secondary coatings. It is found that microbending loss decreases with increasing thickness, the Young's modulus, and the Poisson's ratio of the secondary coating but increases with the increasing Young's modulus and Poisson's ratio of the primary coating. Similarly, changes in refractive index in the glass fiber decrease with the increasing Young's modulus and Poisson's ratio of the secondary coating but increase with the increasing Young's modulus and Poisson's ratio of the primary coating. Therefore, to minimize microbending loss induced simultaneously by axial strain and hydrostatic pressure in the glass fiber, the polymeric coatings should be suitably selected. An optimal design procedure is also indicated.

Resilient modulus characteristics of soil subgrade with geopolymer additive in peat

NASA Astrophysics Data System (ADS)

Zain, Nasuhi; Hadiwardoyo, Sigit Pranowo; Rahayu, Wiwik

2017-06-01

Resilient modulus characteristics of peat soil are generally very low with high potential of deformation and low bearing capacity. The efforts to improve the peat subgrade resilient modulus characteristics is required, one among them is by adding the geopolymer additive. Geopolymer was made as an alternative to replace portland cement binder in the concrete mix in order to promote environmentally friendly, low shrinkage value, low creep value, and fire resistant material. The use of geopolymer to improve the mechanical properties of peat as a road construction subgrade, hence it becomes important to identify the effect of geopolymer addition on the resilient modulus characteristics of peat soil. This study investigated the addition of 0% - 20% geopolymer content on peat soil derived from Ogan Komering Ilir, South Sumatera Province. Resilient modulus measurement was performed by using cyclic triaxial test to determine the resilience modulus model as a function of deviator stresses and radial stresses. The test results showed that an increase in radial stresses did not necessarily lead to an increase in modulus resilient, and on the contrary, an increase in deviator stresses led to a decrease in modulus resilient. The addition of geopolymer in peat soil provided an insignificant effect on the increase of resilient modulus value.

Measurement of corneal tangent modulus using ultrasound indentation.

PubMed

Wang, Li-Ke; Huang, Yan-Ping; Tian, Lei; Kee, Chea-Su; Zheng, Yong-Ping

2016-09-01

Biomechanical properties are potential information for the diagnosis of corneal pathologies. An ultrasound indentation probe consisting of a load cell and a miniature ultrasound transducer as indenter was developed to detect the force-indentation relationship of the cornea. The key idea was to utilize the ultrasound transducer to compress the cornea and to ultrasonically measure the corneal deformation with the eyeball overall displacement compensated. Twelve corneal silicone phantoms were fabricated with different stiffness for the validation of measurement with reference to an extension test. In addition, fifteen fresh porcine eyes were measured by the developed system in vitro. The tangent moduli of the corneal phantoms calculated using the ultrasound indentation data agreed well with the results from the tensile test of the corresponding phantom strips (R(2)=0.96). The mean tangent moduli of the porcine corneas measured by the proposed method were 0.089±0.026MPa at intraocular pressure (IOP) of 15mmHg and 0.220±0.053MPa at IOP of 30mmHg, respectively. The coefficient of variation (CV) and intraclass correlation coefficient (ICC) of tangent modulus were 14.4% and 0.765 at 15mmHg, and 8.6% and 0.870 at 30mmHg, respectively. The preliminary study showed that ultrasound indentation could be applied to the measurement of corneal tangent modulus with good repeatability and improved measurement accuracy compared to conventional surface displacement-based measurement method. The ultrasound indentation can be a potential tool for the corneal biomechanical properties measurement in vivo. Copyright © 2016 Elsevier B.V. All rights reserved.

Effect of zero magnetic field on cardiovascular system and microcirculation

NASA Astrophysics Data System (ADS)

Gurfinkel, Yu. I.; At'kov, O. Yu.; Vasin, A. L.; Breus, T. K.; Sasonko, M. L.; Pishchalnikov, R. Yu.

2016-02-01

The effects of zero magnetic field conditions on cardiovascular system of healthy adults have been studied. In order to generate zero magnetic field, the facility for magnetic fields modeling ;ARFA; has been used. Parameters of the capillary blood flow, blood pressure, and the electrocardiogram (ECG) monitoring were measured during the study. All subjects were tested twice: in zero magnetic field and, for comparison, in sham condition. The obtained results during 60 minutes of zero magnetic field exposure demonstrate a clear effect on cardiovascular system and microcirculation. The results of our experiments can be used in studies of long-term stay in hypo-magnetic conditions during interplanetary missions.

14 CFR 25.365 - Pressurized compartment loads.

Code of Federal Regulations, 2010 CFR

2010-01-01

... Pressurized compartment loads. For airplanes with one or more pressurized compartments the following apply: (a... differential loads from zero up to the maximum relief valve setting. (b) The external pressure distribution in... zero up to the maximum allowed during landing. (d) The airplane structure must be designed to be able...

Robust high pressure stability and negative thermal expansion in sodium-rich antiperovskites Na 3OBr and Na 4OI 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Yonggang; Wen, Ting; Park, Changyong

2016-01-14

The structure stability under high pressure and thermal expansion behavior of Na 3OBr and Na 4OI 2, two prototypes of alkali-metal-rich antiperovskites, were investigated by in situ synchrotron X-ray diffraction techniques under high pressure and low temp. Both are soft materials with bulk modulus of 58.6 GPa and 52.0 GPa for Na 3OBr and Na 4OI 2, resp. The cubic Na 3OBr structure and tetragonal Na 4OI 2 with intergrowth K 2NiF 4 structure are stable under high pressure up to 23 GPa. Although being a characteristic layered structure, Na 4OI 2 exhibits nearly isotropic compressibility. Neg. thermal expansion wasmore » obsd. at low temp. range (20-80 K) in both transition-metal-free antiperovskites for the first time. The robust high pressure structure stability was examined. and confirmed by first-principles calculations. among various possible polymorphisms qualitatively. The results provide in-depth understanding of the neg. thermal expansion and robust crystal structure stability of these antiperovskite systems and their potential applications.« less

Asphalt mix characterization using dynamic modulus and APA testing.

DOT National Transportation Integrated Search

2005-11-01

final report summarizes two research efforts related to asphalt mix characterization: dynamic modulus and Asphalt Pavement Analyzer testing. One phase of the research consisted of a laboratory-based evaluation of dynamic modulus of Oregon dense-grade...

Structural, vibrational and thermophysical properties of pyrophyllite by semi-empirical density functional modelling

NASA Astrophysics Data System (ADS)

Ulian, Gianfranco; Valdrè, Giovanni

2015-07-01

Pyrophyllite has a significant role in both geophysics as a hydrous phase, which can recycle water into the Earth's mantle, and many industrial applications, such as petroleum and civil engineering. However, very few works have been proposed to fully characterize the thermodynamic properties of this mineral, especially at atomic scale. In the present work, we report structural, vibrational, thermochemical and thermophysical properties of pyrophyllite, calculated at the density functional theory level with the hybrid B3LYP functional, all-electron Gaussian-type orbitals and taking into account a correction to include dispersive forces. V( P, T) data at 300 K fit with isothermal third-order Birch-Murnaghan equations of state and yield K T 0 = 46.57 GPa, K' = 10.51 and V 0 = 213.67 Å3, where K T 0 is the thermal bulk modulus at 0 GPa, K' is the first derivative and V 0 is the volume at zero pressure, in very good agreement with recent experimental results obtained by in situ single-crystal synchrotron XRD. The compressional behaviour is highly anisotropic, with axial compressibility in ratio β( a):β( b):β( c) = 1.218:1.000:4.188. Pyrophyllite bulk modulus, thermal expansion coefficients and heat capacity at different P- T conditions are provided. The results of this kind of analysis can be useful in both geophysical and technological applications of the mineral and expand the high-temperature and high-pressure knowledge of this phase at physical conditions that are still difficult to obtain by experimental means. The simulated vibrational spectrum can also be used as a guideline by other authors in their experimental investigation of pyrophyllite.

Tuning the Elastic Modulus of Hydrated Collagen Fibrils

PubMed Central

Grant, Colin A.; Brockwell, David J.; Radford, Sheena E.; Thomson, Neil H.

2009-01-01

Abstract Systematic variation of solution conditions reveals that the elastic modulus (E) of individual collagen fibrils can be varied over a range of 2–200 MPa. Nanoindentation of reconstituted bovine Achilles tendon fibrils by atomic force microscopy (AFM) under different aqueous and ethanol environments was carried out. Titration of monovalent salts up to a concentration of 1 M at pH 7 causes E to increase from 2 to 5 MPa. This stiffening effect is more pronounced at lower pH where, at pH 5, e.g., there is an ∼7-fold increase in modulus on addition of 1 M KCl. An even larger increase in modulus, up to ∼200 MPa, can be achieved by using increasing concentrations of ethanol. Taken together, these results indicate that there are a number of intermolecular forces between tropocollagen monomers that govern the elastic response. These include hydration forces and hydrogen bonding, ion pairs, and possibly the hydrophobic effect. Tuning of the relative strengths of these forces allows rational tuning of the elastic modulus of the fibrils. PMID:19948128

Zero Boil-OFF Tank Hardware Setup

NASA Image and Video Library

2017-09-19

iss053e027051 (Sept. 19, 2017) --- Flight Engineer Joe Acaba works in the U.S. Destiny laboratory module setting up hardware for the Zero Boil-Off Tank (ZBOT) experiment. ZBOT uses an experimental fluid to test active heat removal and forced jet mixing as alternative means for controlling tank pressure for volatile fluids. Rocket fuel, spacecraft heating and cooling systems, and sensitive scientific instruments rely on very cold cryogenic fluids. Heat from the environment around cryogenic tanks can cause their pressures to rise, which requires dumping or "boiling off" fluid to release the excess pressure, or actively cooling the tanks in some way.

Bulk superhard B-C-N nanocomposite compact and method for preparing thereof

DOEpatents

Zhao, Yusheng; He, Duanwei

2004-07-06

Bulk, superhard, B-C-N nanocomposite compact and method for preparing thereof. The bulk, superhard, nanocomposite compact is a well-sintered compact and includes nanocrystalline grains of at least one high-pressure phase of B-C-N surrounded by amorphous diamond-like carbon grain boundaries. The bulk compact has a Vicker's hardness of about 41-68 GPa. It is prepared by ball milling a mixture of graphite and hexagonal boron nitride, encapsulating the ball-milled mixture, and sintering the encapsulated ball-milled mixture at a pressure of about 5-25 GPa and at a temperature of about 1000-2500 K.

Bulk Fe-based metallic glass with extremely soft ferromagnetic properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shen, T. D.; Harms, U. S.; Schwarz, R. B.

2001-01-01

The authors have investigated the DC and AC magnetic properties of a bulk glassy Fe{sub 65.5}Cr{sub 4}Mo{sub 4}Ga{sub 4}P{sub 12}B{sub 5.5}C{sub 5} alloy. In the annealed state the alloy has coercivity H{sub C} and maximum DC permeability {mu}{sub m} of approximately 0.4 A/m (5 mOe) and 2.8 x 10{sup 5}, comparable to those found in annealed zero-magnetostriction Co-based alloys. The low H{sub C} found in the bulk glassy alloy is attributed to the low ratio of surface-roughness to sample thickness, and low residual internal-stress. The total power loss in the annealed bulk glass is about one order of magnitude lowermore » than that of rapidly quenched Fe-based glassy ribbons. This is attributed to a low anomalous eddy-current loss.« less

Frequency-dependent complex modulus of the uterus: preliminary results

NASA Astrophysics Data System (ADS)

Kiss, Miklos Z.; Hobson, Maritza A.; Varghese, Tomy; Harter, Josephine; Kliewer, Mark A.; Hartenbach, Ellen M.; Zagzebski, James A.

2006-08-01

The frequency-dependent complex moduli of human uterine tissue have been characterized. Quantification of the modulus is required for developing uterine ultrasound elastography as a viable imaging modality for diagnosing and monitoring causes for abnormal uterine bleeding and enlargement, as well assessing the integrity of uterine and cervical tissue. The complex modulus was measured in samples from hysterectomies of 24 patients ranging in age from 31 to 79 years. Measurements were done under small compressions of either 1 or 2%, at low pre-compression values (either 1 or 2%), and over a frequency range of 0.1-100 Hz. Modulus values of cervical tissue monotonically increased from approximately 30-90 kPa over the frequency range. Normal uterine tissue possessed modulus values over the same range, while leiomyomas, or uterine fibroids, exhibited values ranging from approximately 60-220 kPa.

Method to synthesize bulk iron nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Monson, Todd; Lavernia, Enrique J.; Zheng, Baolong

Bulk iron nitride can be synthesized from iron nitride powder by spark plasma sintering. The iron nitride can be spark plasma sintered at a temperature of less than 600°C. and a pressure of less than 600 MPa, with 400 MPa or less most often being sufficient. High pressure SPS can consolidate dense iron nitrides at a lower temperature to avoid decomposition. The higher pressure and lower temperature of spark discharge sintering avoids decomposition and limits grain growth, enabling enhanced magnetic properties. The method can further comprise synthesis of nanocrystalline iron nitride powders using two-step reactive milling prior to high-pressure sparkmore » discharge sintering.« less

The Effect of Sliding Speed on Film Thickness and Pressure Supporting Ability of a Point Contact Under Zero Entrainment Velocity Conditions

NASA Technical Reports Server (NTRS)

Thompson, Peter M.; Jones, William R., Jr.; Jansen, Mark J.; Prahl, Joseph M.

2000-01-01

A unique tribometer is used to study film forming and pressure supporting abilities of point contacts at zero entrainment velocity (ZEV). Film thickness is determined using a capacitance technique, verified through comparisons of experimental results and theoretical elastohydrodynamic lubrication (EHL) predictions for rolling contacts. Experiments are conducted using through hardened AISI 52 100 steel balls, Polyalphaolefin (PAO) 182 and Pentaerythritol Tetraheptanoate (PT) lubricants, and sliding speeds between 2.0 to 12.0 m/s. PAO 182 and PT are found to support pressures up to 1. 1 GPa and 0.67 GPa respectively. Protective lubricant films ranging in thickness between 90 to 2 10 nm for PAO 182 and 220 to 340 nm for PT are formed. Lubricants experience shear stresses between 14 to 22 MPa for PAO 182 and 7 to 16 MPa for PT at shear rates of 10(exp 7)/sec. The lubricant's pressure supporting ability most likely results from the combination of immobile films and its transition to a glassy solid at high pressures.

Dramatic Raman Gain Suppression in the Vicinity of the Zero Dispersion Point in a Gas-Filled Hollow-Core Photonic Crystal Fiber.

PubMed

Bauerschmidt, S T; Novoa, D; Russell, P St J

2015-12-11

In 1964 Bloembergen and Shen predicted that Raman gain could be suppressed if the rates of phonon creation and annihilation (by inelastic scattering) exactly balance. This is only possible if the momentum required for each process is identical, i.e., phonon coherence waves created by pump-to-Stokes scattering are identical to those annihilated in pump-to-anti-Stokes scattering. In bulk gas cells, this can only be achieved over limited interaction lengths at an oblique angle to the pump axis. Here we report a simple system that provides dramatic Raman gain suppression over long collinear path lengths in hydrogen. It consists of a gas-filled hollow-core photonic crystal fiber whose zero dispersion point is pressure adjusted to lie close to the pump laser wavelength. At a certain precise pressure, stimulated generation of Stokes light in the fundamental mode is completely suppressed, allowing other much weaker phenomena such as spontaneous Raman scattering to be explored at high pump powers.

Shock Compression of the New 47Zr45Ti5Al3V Alloys up to 200 GPa

NASA Astrophysics Data System (ADS)

Zhang, Pin-Liang; Gong, Zi-Zheng; Ji, Guang-Fu; Wang, Qing-Song; Song, Zhen-Fei; Cao, Yan; Wang, Xiang

2013-06-01

Shock compression experiments on a new kind of 47Zr45Ti5Al3V alloys at pressures between 28 and 200 GPa are performed using a two-stage light gas gun. The Hugoniot data are obtained by combining the impedance-match method and the electrical probe technique. The relationship between the shock wave velocity Us and particle velocity up can be described linearly by Us = 4.324(±0.035) + 1.177(±0.012)up. No obvious evidence of phase transition is found in the shock compression pressure range. The calculated Us - up relationship obtained from the additive principle is different from the experimental data, indicating that the α → β phase transition occurs below 28 GPa. The Grüneisen parameter γ obtained from the experimental data can be expressed by γ = 1.277(ρ0/ρ). The zero-pressure bulk modulus B0s = 97.96 GPa and its pressure derivative B'0s = 3.68. The P—V—T equation of state for 47Zr45Ti5Al3V is given using the Vinet equation of state to describe the cold curve and the Debye model for the thermal contributions.

Levitation forces of a bulk YBCO superconductor in gradient varying magnetic fields

NASA Astrophysics Data System (ADS)

Jiang, J.; Gong, Y. M.; Wang, G.; Zhou, D. J.; Zhao, L. F.; Zhang, Y.; Zhao, Y.

2015-09-01

The levitation forces of a bulk YBCO superconductor in gradient varying high and low magnetic fields generated from a superconducting magnet were investigated. The magnetic field intensity of the superconducting magnet was measured when the exciting current was 90 A. The magnetic field gradient and magnetic force field were both calculated. The YBCO bulk was cooled by liquid nitrogen in field-cooling (FC) and zero-field-cooling (ZFC) condition. The results showed that the levitation forces increased with increasing the magnetic field intensity. Moreover, the levitation forces were more dependent on magnetic field gradient and magnetic force field than magnetic field intensity.

Resilient modulus of Kentucky soils.

DOT National Transportation Integrated Search

2001-06-30

In recent years, the American Association of State Highway Transportation Officials (AASHTO) has recommended the use of resilient modulus for characterizing highway materials for pavement design. This recommendation evolved as of a result of a trend ...

Exploring the Utilization of Low-Pressure, Piston-Cylinder Experiments to Determine the Bulk Compositions of Finite, Precious Materials

NASA Astrophysics Data System (ADS)

Vander Kaaden, K. E.; McCubbin, F. M.; Harrington, A.

2017-12-01

Determining the bulk composition of precious materials with a finite mass (e.g., meteorite samples) is extremely important in the fields of Earth and Planetary Science. From meteorite studies we are able to place constraints on large scale planetary processes like global differentiation and subsequent volcanism, as well as smaller scale processes like crystallization in a magma chamber or sedimentary compaction at the surface. However, with meteorite samples in particular, far too often we are limited by how precious the sample is as well as its limited mass. In this study, we have utilized aliquots of samples previously studied for toxicological hazards [1] including both the fresh samples (lunar mare basalt NWA 4734, lunar regolith breccia NWA 7611, martian basalt Tissint, martian regolith breccia NWA 7034, a vestian basalt Berthoud, a vestian regolith breccia NWA 2060, and a terrestrial mid-ocean ridge basalt (MORB)), and those that underwent iron leaching (Tissint, NWA 7034, NWA 4734, MORB). With these small masses of material, we performed low pressure ( 0.75 GPa), high temperature (>1600°C) melting experiments. Each sample was analyzed using a JEOL 8530F electron microprobe to determine the bulk composition of the materials that were previously examined in [1]. When available, the results of our microprobe data were compared with bulk rock compositions in the literature. The results of this study show that with this technique, only 50 mg of sample is required to accurately determine the bulk composition of the materials of interest. [1] Harrington, A.D., McCubbin, F.M., Kaur, J., Smirnov, A., Galdanes, K., Schoonen, M.A.A., Chen, L.C., Tsirka, S.E., and Gordon, T. (2017) Pulmonary inflammatory responses to acute meteroite dust exposures - Implications for human space exploration. 48th Lunar and Planetary Science Conference, The Woodlands, TX, #2922.

Measurement of Young's modulus in the in vivo human vocal folds.

PubMed

Tran, Q T; Berke, G S; Gerratt, B R; Kreiman, J

1993-08-01

Currently, surgeons have no objective means to evaluate and optimize results of phonosurgery intraoperatively. Instead, they usually judge the vocal folds subjectively by visual inspection or by listening to the voice. This paper describes a new device that measures Young's (elastic) modulus values for the human vocal fold intraoperatively. Physiologically, the modulus of the vocal fold may be important in determining the nature of vocal fold vibration in normal and pathologic states. This study also reports the effect of recurrent laryngeal nerve stimulation on Young's modulus of the human vocal folds, measured by means of transcutaneous nerve stimulation techniques. Young's modulus increased with increases in current stimulation to the recurrent laryngeal nerve. Ultimately, Young's modulus values may assist surgeons in optimizing the results of various phonosurgeries.

QMD and classical MD simulation of alpha boron and boron-carbide behavior under pressure

NASA Astrophysics Data System (ADS)

Yanilkin, Alexey; Korotaev, Pavel; Kuksin, Alexey; Pokatashkin, Pavel

2015-06-01

Boron and some boron-rich compounds are super-hard and light-weighted material with a wide range of different applications. Nevertheless, the question of its behavior under pressure is still open. In the present work we study the equation of state (EOS), stability and deformation of α-B and B4C under high pressure within quantum and classical molecular dynamics (QMD and MD). Based on QMD results the finite temperature EOSs are revealed. CBC chain bending, amorphization and recrystallization of B4C are investigated under hydrostatic, uniform and uniaxial compression. The influence of nonhydrostatic loading is discussed. Angular dependent interatomic potentials are derived by force-matching method. The properties of α-B and B4C, obtained by classical potential, are verified. Structure, bulk modulus, pressure-volume relation, Gruneisen and thermal expansion coefficients are in good agreement with both ab initio and experimental data. These potentials are used to study shock wave propagation in a single crystal of α-B and B4C. Two mechanisms of shear deformation are observed: stacking fault formation and local amorphization. The crystallographic orientations of defects are in a good agreement with experiments.

Quantifying Cartilage Contact Modulus, Tension Modulus, and Permeability With Hertzian Biphasic Creep

PubMed Central

Moore, A. C.; DeLucca, J. F.; Elliott, D. M.; Burris, D. L.

2016-01-01

This paper describes a new method, based on a recent analytical model (Hertzian biphasic theory (HBT)), to simultaneously quantify cartilage contact modulus, tension modulus, and permeability. Standard Hertzian creep measurements were performed on 13 osteochondral samples from three mature bovine stifles. Each creep dataset was fit for material properties using HBT. A subset of the dataset (N = 4) was also fit using Oyen's method and FEBio, an open-source finite element package designed for soft tissue mechanics. The HBT method demonstrated statistically significant sensitivity to differences between cartilage from the tibial plateau and cartilage from the femoral condyle. Based on the four samples used for comparison, no statistically significant differences were detected between properties from the HBT and FEBio methods. While the finite element method is considered the gold standard for analyzing this type of contact, the expertise and time required to setup and solve can be prohibitive, especially for large datasets. The HBT method agreed quantitatively with FEBio but also offers ease of use by nonexperts, rapid solutions, and exceptional fit quality (R2 = 0.999 ± 0.001, N = 13). PMID:27536012

First-principles studies of electronic, transport and bulk properties of pyrite FeS2

NASA Astrophysics Data System (ADS)

Banjara, Dipendra; Mbolle, Augustine; Malozovsky, Yuriy; Franklin, Lashounda; Bagayoko, Diola

We present results of ab-initio, self-consistent density functional theory (DFT) calculations of electronic, transport, and bulk properties of pyrite FeS2. We employed a local density approximation (LDA) potential and the linear combination of atomic orbitals (LCAO) formalism, following the Bagayoko, Zhao and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF). The BZW-EF method requires successive, self consistent calculations with increasing basis sets to reach the ground state of the system under study. We report the band structure, the band gap, total and partial densities of states, effective masses, and the bulk modulus. Work funded in part by the US Department of Energy (DOE), National Nuclear Security Administration (NNSA) (Award No.DE-NA0002630), the National Science Foundation (NSF) (Award No, 1503226), LaSPACE, and LONI-SUBR.

Yttrium aluminium garnet under pressure: Structural, elastic, and vibrational properties from ab initio studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Monteseguro, V.; Rodríguez-Hernández, P.; Muñoz, A., E-mail: amunoz@ull.es

The structural, elastic, and vibrational properties of yttrium aluminum garnet Y{sub 3}Al{sub 5}O{sub 12} are studied under high pressure by ab initio calculations in the framework of the density functional theory. The calculated ground state properties are in good agreement with the available experimental data. Pressure dependences of bond length and bulk moduli of the constituent polyhedra are reported. The evolution of the elastic constants and the major elastic properties, Young and shear modulus, Poisson's ratios, and Zener anisotropy ratio, are described. The mechanical stability is analyzed, on the light of “Born generalized stability criteria,” showing that the garnet ismore » mechanically unstable above 116 GPa. Symmetries, frequencies, and pressure coefficients of the Raman-active modes are discussed on the basis of the calculated total and partial phonon density of states, which reflect the dynamical contribution of each atom. The relations between the phonon modes of Y{sub 3}Al{sub 5}O{sub 12} and the internal and external molecular modes of the different polyhedra are discussed. Infrared-active modes, as well as the silent modes, and their pressure dependence are also investigated. No dynamical instabilities were found below 116 GPa.« less

Recent advances in bulk metallic glasses for biomedical applications.

PubMed

Li, H F; Zheng, Y F

2016-05-01

With a continuously increasing aging population and the improvement of living standards, large demands of biomaterials are expected for a long time to come. Further development of novel biomaterials, that are much safer and of much higher quality, in terms of both biomedical and mechanical properties, are therefore of great interest for both the research scientists and clinical surgeons. Compared with the conventional crystalline metallic counterparts, bulk metallic glasses have unique amorphous structures, and thus exhibit higher strength, lower Young's modulus, improved wear resistance, good fatigue endurance, and excellent corrosion resistance. For this purpose, bulk metallic glasses (BMGs) have recently attracted much attention for biomedical applications. This review discusses and summarizes the recent developments and advances of bulk metallic glasses, including Ti-based, Zr-based, Fe-based, Mg-based, Zn-based, Ca-based and Sr-based alloying systems for biomedical applications. Future research directions will move towards overcoming the brittleness, increasing the glass forming ability (GFA) thus obtaining corresponding bulk metallic glasses with larger sizes, removing/reducing toxic elements, and surface modifications. Bulk metallic glasses (BMGs), also known as amorphous alloys or liquid metals, are relative newcomers in the field of biomaterials. They have gained increasing attention during the past decades, as they exhibit an excellent combination of properties and processing capabilities desired for versatile biomedical implant applications. The present work reviewed the recent developments and advances of biomedical BMGs, including Ti-based, Zr-based, Fe-based, Mg-based, Zn-based, Ca-based and Sr-based BMG alloying systems. Besides, the critical analysis and in-depth discussion on the current status, challenge and future development of biomedical BMGs are included. The possible solution to the BMG size limitation, the brittleness of BMGs has been

Zero-stress states of human pulmonary arteries and veins.

PubMed

Huang, W; Yen, R T

1998-09-01

The zero-stress states of the pulmonary arteries and veins from order 3 to order 9 were determined in six normal human lungs within 15 h postmortem. The zero-stress state of each vessel was obtained by cutting the vessel transversely into a series of short rings, then cutting each ring radially, which caused the ring to spring open into a sector. Each sector was characterized by its opening angle. The mean opening angle varied between 92 and 163 degrees in the arterial tree and between 89 and 128 degrees in the venous tree. There was a tendency for opening angles to increase as the sizes of the arteries and veins increased. We computed the residual strains based on the experimental measurements and estimated the residual stresses according to Hooke's law. We found that the inner wall of a vessel at the state in which the internal pressure, external pressure, and longitudinal stress are all zero was under compression and the outer wall was in tension, and that the magnitude of compressive stress was greater than the magnitude of tensile stress.

Determining and analyzing the strength and impact resistance of high modulus glass

NASA Technical Reports Server (NTRS)

Bacon, J. F.

1972-01-01

A number of new glass compositions have been prepared with increased emphasis on compositions without beryllia. Glass preparations have been much more broadly based and have included the eutectic glass fields, and the mullite-rare earth glass systems. Of the new glasses, the best non-toxic composition is UARL 472 with a bulk modulus of only 18.20 million psi. A second experimental glass, UARL 417, was chosen for research in making large quantities of fiber in monofilament form. Tests of these UARL 417 epoxy resin samples in comparison to similar composites made with the DuPont organic fiber, PRD-49-1, show that the UARL composites have a compressive strength 41/2 times higher and a specific compressive strength at least 21/2 times greater. Much of the research effort attempted to answer the question of why a given glass should have an impact strength superior to other glasses. No definitive answer to the question was found.

LTPP Computed Parameter: Dynamic Modulus

DOT National Transportation Integrated Search

2011-09-01

The dynamic modulus, |E*|, is a fundamental property that defines the stiffness characteristics of hot mix asphalt (HMA) mixtures as a function of loading rate and temperature. In spite of the demonstrated significance of |E*|, it is not included in ...

Effect of high pressure hydrogen on the mechanical characteristics of single carbon fiber

NASA Astrophysics Data System (ADS)

Jeon, Sang Koo; Kwon, Oh Heon; Jang, Hoon-Sik; Ryu, Kwon Sang; Nahm, Seung Hoon

2018-02-01

In this study, carbon fiber was exposed to a pressure of 7 MPa for 24 h in high pressure chamber. The tensile test for carbon fiber was conducted to estimate the effect on the high pressure hydrogen in the atmosphere. To determine the tensile strength and Weibull modulus, approximately thirty carbon fiber samples were measured in all cases, and carbon fiber exposed to high pressure argon was evaluated to verify only the effect of hydrogen. Additionally, carbon fiber samples were annealed at 1950 °C for 1 h for a comparison with normal carbon fiber and then tested under identical conditions. The results showed that the tensile strength scatter of normal carbon fiber exposed to hydrogen was relatively wider and the Weibull modulus was decreased. Moreover, the tensile strength of the annealed carbon fiber exposed to hydrogen was increased, and these samples indicated a complex Weibull modulus because the hydrogen stored in the carbon fiber influenced the mechanical characteristic.

Apparent elastic modulus and hysteresis of skeletal muscle cells throughout differentiation

NASA Technical Reports Server (NTRS)

Collinsworth, Amy M.; Zhang, Sarah; Kraus, William E.; Truskey, George A.

2002-01-01

The effect of differentiation on the transverse mechanical properties of mammalian myocytes was determined by using atomic force microscopy. The apparent elastic modulus increased from 11.5 +/- 1.3 kPa for undifferentiated myoblasts to 45.3 +/- 4.0 kPa after 8 days of differentiation (P < 0.05). The relative contribution of viscosity, as determined from the normalized hysteresis area, ranged from 0.13 +/- 0.02 to 0.21 +/- 0.03 and did not change throughout differentiation. Myosin expression correlated with the apparent elastic modulus, but neither myosin nor beta-tubulin were associated with hysteresis. Microtubules did not affect mechanical properties because treatment with colchicine did not alter the apparent elastic modulus or hysteresis. Treatment with cytochalasin D or 2,3-butanedione 2-monoxime led to a significant reduction in the apparent elastic modulus but no change in hysteresis. In summary, skeletal muscle cells exhibited viscoelastic behavior that changed during differentiation, yielding an increase in the transverse elastic modulus. Major contributors to changes in the transverse elastic modulus during differentiation were actin and myosin.

Regional variation in wood modulus of elasticity (stiffness) and modulus of rupture (strength) of planted loblolly pine in the United States

Treesearch

Antony Finto; Lewis Jordan; Laurence R. Schimleck; Alexander Clark; Ray A. Souter; Richard F. Daniels

2011-01-01

Modulus of elasticity (MOE), modulus of rupture (MOR), and specific gravity (SG) are important properties for determining the end-use and value of a piece of lumber. This study addressed the variation in MOE, MOR, and SG with physiographic region, tree height, and wood type. Properties were measured from two static bending samples (dimensions 25.4 mm × 25.4 mm × 406.4...

High pressure effects on U L 3 x-ray absorption in partial fluorescence yield mode and single crystal x-ray diffraction in the heavy fermion compound UCd 11

DOE PAGES

Nasreen, Farzana; Antonio, Daniel; VanGennep, Derrick; ...

2016-02-15

© 2016 IOP Publishing Ltd. We report a study of high pressure x-ray absorption (XAS) performed in the partial fluorescence yield mode (PFY) at the U L 3 edge (0-28.2 GPa) and single crystal x-ray diffraction (SXD) (0-20 GPa) on the UCd 11 heavy fermion compound at room temperature. Under compression, the PFY-XAS results show that the white line is shifted by +4.1(3) eV at the highest applied pressure of 28.2 GPa indicating delocalization of the 5f electrons. The increase in full width at half maxima and decrease in relative amplitude of the white line with respect to the edgemore » jump point towards 6d band broadening under high pressure. A bulk modulus of K 0 = 62(1) GPa and its pressure derivative, = 4.9(2) was determined from high pressure SXD results. Both the PFY-XAS and diffraction results do not show any sign of a structural phase transition in the applied pressure range.« less

Light transmittance and micro-mechanical properties of bulk fill vs. conventional resin based composites.

PubMed

Bucuta, Stefan; Ilie, Nicoleta

2014-11-01

The aim of this study was to quantify the blue light that passes through different incremental thicknesses of bulk fill in comparison to conventional resin-based composites (RBCs) and to relate it to the induced mechanical properties. Seven bulk fill, five nanohybrid and two flowable RBCs were analysed. Specimens (n = 5) of three incremental thicknesses (2, 4 and 6 mm) were cured from the top for 20 s, while at the bottom, a spectrometer monitored in real time the transmitted irradiance. Micro-mechanical properties (Vickers hardness, HV, and indentation modulus, E) were measured at the top and bottom after 24 h of storage in distilled water at 37 °C. Electron microscope images were taken for assessing the filler distribution and size. Bulk fill RBCs (except SonicFill) were more translucent than conventional RBCs. Low-viscosity bulk fill materials showed the lowest mechanical properties. HV depends highly on the following parameters: material (ηp (2) = 0.952), incremental thickness (0.826), filler volume (0.747), filler weight (0.746) and transmitted irradiance (0.491). The bottom-to-top HV ratio (HVbt) was higher than 80 % in all materials in 2- and 4-mm increments (except for Premise), whereas in 6-mm increments, this is valid only in four bulk fill materials (Venus Bulk Fill, SDR, x-tra fil, Tetric EvoCeram Bulk Fill). The depth of cure is dependent on the RBC's translucency. Low-viscosity bulk fill RBCs have lower mechanical properties than all other types of analysed materials. All bulk fill RBCs (except SonicFill) are more translucent for blue light than conventional RBCs. Although bulk fill RBCs are generally more translucent, the practitioner has to follow the manufacturer's recommendations on curing technique and maximum incremental thickness.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heffernan, Karina M.; Ross, Nancy L., E-mail: nross@vt.edu; Spencer, Elinor C.

Accurate elastic constants for gadolinium phosphate (GdPO{sub 4}) have been measured by single-crystal high-pressure diffraction methods. The bulk modulus of GdPO{sub 4} determined under hydrostatic conditions, 128.1(8) GPa (K′=5.8(2)), is markedly different from that obtained with GdPO{sub 4} under non-hydrostatic conditions (160(2) GPa), which indicates the importance of shear stresses on the elastic response of this phosphate. High pressure Raman and diffraction analysis indicate that the PO{sub 4} tetrahedra behave as rigid units in response to pressure and that contraction of the GdPO{sub 4} structure is facilitated by bending/twisting of the Gd–O–P links that result in increased distortion in themore » GdO{sub 9} polyhedra. - Graphical abstract: A high-pressure single crystal diffraction study of GdPO{sub 4} with the monazite structure is presented. The elastic behaviour of rare-earth phosphates are believed to be sensitive to shear forces. The bulk modulus of GdPO{sub 4} measured under hydrostatic conditions is 128.1(8) GPa. Compression of the structure is facilitated by bending/twisting of the Gd−O−P links that result in increased distortion in the GdO{sub 9} polyhedra. Display Omitted - Highlights: • The elastic responses of rare-earth phosphates are sensitive to shear forces. • The bulk modulus of GdPO{sub 4} measured under hydrostatic conditions is 128.1(8) GPa. • Twisting of the inter-polyhedral links allows compression of the GdPO{sub 4} structure. • Changes to the GdO{sub 9} polyhedra occur in response to pressure (<7.0 GPa).« less

Development of a dynamic pressure calibration technique

NASA Technical Reports Server (NTRS)

Vezzetti, C. F.; Hilten, J. S.; Lederer, P. S.

1975-01-01

The report deals with work continuing on the development of a method of producing sinusoidally varying pressures of at least 34 kPa zero-to-peak with amplitude variations within plus or minus 5% up to 2 kHz for the dynamic calibration of pressure transducers. Sinusoidally varying pressures of 34 kPa zero-to-peak were produced between 40 Hz and 750 Hz by vibrating a 10-cm column of a dimethyl siloxane liquid at 36gn zero-to-peak. Damping of the liquid column was accomplished by packing the fixture tube with a number of smaller diameter tubes.

Sugar substitutes: their energy values, bulk characteristics, and potential health benefits.

PubMed

Levin, G V; Zehner, L R; Saunders, J P; Beadle, J R

1995-11-01

Restriction of dietary energy extends life and reduces incidences of disease in animals. These benefits would likely extend to humans. However, diet restriction in animals imposes reductions of 30-50% in food intake, which is probably unacceptable to humans. Low-energy sweeteners used in beverages offer minor reductions in energy intake. However, they lack the bulk required for baked goods and other sugar-rich foods. Full-bulk sweeteners providing about one-half the energy of sugar are under development for such uses. Laxation limits their acceptable dose. Even within such limitations, they can help achieve the health benefits for humans indicated by diet restriction. D-Tagatose, a new candidate sweetener, is nearly as sweet as sucrose and has the bulk of sucrose, yet provides zero available energy. We discuss its potential contribution to human diet restriction along with its specific effect in delaying the aging effects of glycosylation.

Density of jadeite melts under high pressure and high temperature conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

SAKAMAKI, Tatsuya

2017-01-01

The density of the jadeite (NaAlSi2O6) melt has been measured up to 6.5 GPa and 2273 K using the X–ray absorption technique at beamline 13–BM–D of the Advanced Photon Source. A fit of the pressure–density–temperature data to the high temperature Birch–Murnaghan equation of state yielded the following thermoelastic parameters: density, ρ0 = 2.36 g/cm3, isothermal bulk modulus, KT0 = 21.5 ± 0.8 GPa, its pressure derivative, K0' = 8.9 ± 1.2, and the temperature derivative (∂KT/∂T)P = -0.0021 ± 0.0011 GPa/K at a reference temperature T0 = 1473 K. The densification of jadeite melt at low pressures is primarily dominatedmore » by topological changes in the structure, including a decrease in T–O–T angle and breaking and reforming of the T–O bond (T = Si4+, Al3+). Compressibilities of jadeite, albite, diopside, phonolite and peridotite melts display a systematic trend: the K0–K0' plot of these silicate melts exhibits an inverse linear relation.« less

Polymerization Behavior and Mechanical Properties of High-Viscosity Bulk Fill and Low Shrinkage Resin Composites.

PubMed

Shibasaki, S; Takamizawa, T; Nojiri, K; Imai, A; Tsujimoto, A; Endo, H; Suzuki, S; Suda, S; Barkmeier, W W; Latta, M A; Miyazaki, M

The present study determined the mechanical properties and volumetric polymerization shrinkage of different categories of resin composite. Three high viscosity bulk fill resin composites were tested: Tetric EvoCeram Bulk Fill (TB, Ivoclar Vivadent), Filtek Bulk Fill posterior restorative (FB, 3M ESPE), and Sonic Fill (SF, Kerr Corp). Two low-shrinkage resin composites, Kalore (KL, GC Corp) and Filtek LS Posterior (LS, 3M ESPE), were used. Three conventional resin composites, Herculite Ultra (HU, Kerr Corp), Estelite ∑ Quick (EQ, Tokuyama Dental), and Filtek Supreme Ultra (SU, 3M ESPE), were used as comparison materials. Following ISO Specification 4049, six specimens for each resin composite were used to determine flexural strength, elastic modulus, and resilience. Volumetric polymerization shrinkage was determined using a water-filled dilatometer. Data were evaluated using analysis of variance followed by Tukey's honestly significant difference test (α=0.05). The flexural strength of the resin composites ranged from 115.4 to 148.1 MPa, the elastic modulus ranged from 5.6 to 13.4 GPa, and the resilience ranged from 0.70 to 1.0 MJ/m 3 . There were significant differences in flexural properties between the materials but no clear outliers. Volumetric changes as a function of time over a duration of 180 seconds depended on the type of resin composite. However, for all the resin composites, apart from LS, volumetric shrinkage began soon after the start of light irradiation, and a rapid decrease in volume during light irradiation followed by a slower decrease was observed. The low shrinkage resin composites KL and LS showed significantly lower volumetric shrinkage than the other tested materials at the measuring point of 180 seconds. In contrast, the three bulk fill resin composites showed higher volumetric change than the other resin composites. The findings from this study provide clinicians with valuable information regarding the mechanical properties and

Influence of loading and unloading velocity of confining pressure on strength and permeability characteristics of crystalline sandstone

NASA Astrophysics Data System (ADS)

Zhang, Dong-ming; Yang, Yu-shun; Chu, Ya-pei; Zhang, Xiang; Xue, Yan-guang

2018-06-01

The triaxial compression test of crystalline sandstone under different loading and unloading velocity of confining pressure is carried out by using the self-made "THM coupled with servo-controlled seepage apparatus for containing-gas coal", analyzed the strength, deformation and permeability characteristics of the sample, the results show that: with the increase of confining pressures loading-unloading velocity, Mohr's stress circle center of the specimen shift to the right, and the ultimate intensity, peak strain and residual stress of the specimens increase gradually. With the decrease of unloading velocity of confining pressure, the axial strain, the radial strain and the volumetric strain of the sample decrease first and then increases, but the radial strain decreases more greatly. The loading and unloading of confining pressure has greater influence on axial strain of specimens. The deformation modulus decreases rapidly with the increase of axial strain and the Poisson's ratio decreases gradually at the initial stage of loading. When the confining pressure is loaded, the deformation modulus decrease gradually, and the Poisson's ratio increases gradually. When the confining pressure is unloaded, the deformation modulus increase gradually, and the Poisson's ratio decreases gradually. When the specimen reaches the ultimate intensity, the deformation modulus decreases rapidly, while the Poisson's ratio increases rapidly. The fitting curve of the confining pressure and the deformation modulus and the Poisson's ratio in accordance with the distribution of quadratic polynomial function in the loading-unloading confining pressure. There is a corresponding relationship between the evolution of rock permeability and damage deformation during the process of loading and unloading. In the late stage of yielding, the permeability increases slowly, and the permeability increases sharply after the rock sample is destroyed. Fitting the permeability and confining pressure

Preferential emission into epsilon-near-zero metamaterial [Invited

DOE PAGES

Galfsky, Tal; Sun, Zheng; Jacob, Zubin; ...

2015-11-23

We report the use of epsilon near zero (ENZ) metamaterial to control spontaneous emission from Zinc-Oxide (ZnO) excitons. The ENZ material consists of alternating layers of silver and alumina with subwavelength thicknesses, resulting in an effective medium where one of the components of the dielectric constant approach zero between 370nm-440nm wavelength range. Bulk ZnO with photoluminescence maximum in the ENZ regime was deposited via atomic layer deposition to obtain a smooth film with near field coupling to the ENZ metamaterial. Preferential emission from the ZnO layer into the metamaterial with suppression of forward emission by 90% in comparison to ZnOmore » on silicon is observed. We attribute this observation to the presence of dispersionless plasmonic modes in the ENZ regime as shown by the results of theoretical modeling presented here. Integration of ENZ metamaterials with light emitters is an attractive platform for realizing a low threshold subwavelength laser.« less

Physico-mechanical characteristics of commercially available bulk-fill composites.

PubMed

Leprince, Julian G; Palin, William M; Vanacker, Julie; Sabbagh, Joseph; Devaux, Jacques; Leloup, Gaetane

2014-08-01

Bulk-fill composites have emerged, arguably, as a new "class" of resin-based composites, which are claimed to enable restoration in thick layers, up to 4mm. The objective of this work was to compare, under optimal curing conditions, the physico-mechanical properties of most currently available bulk-fill composites to those of two conventional composite materials chosen as references, one highly filled and one flowable "nano-hybrid" composite. Tetric EvoCeram Bulk Fill (Ivoclar-Vivadent), Venus Bulk Fill (Heraeus-Kulzer), SDR (Dentsply), X-tra Fil (VOCO), X-tra Base (VOCO), Sonic Fill (Kerr), Filtek Bulk Fill (3M-Espe), Xenius (GC) were compared to the two reference materials. The materials were light-cured for 40s in a 2mm×2mm×25mm Teflon mould. Degree of conversion was measured by Raman spectroscopy, Elastic modulus and flexural strength were evaluated by three point bending, surface hardness using Vickers microindentation before and after 24h ethanol storage, and filler weight content by thermogravimetric analysis. The ratio of surface hardness before and after ethanol storage was considered as an evaluation of polymer softening. Data were analyzed by one-way ANOVA and post hoc Tukey's test (p=0.05). The mechanical properties of the bulk-fill composites were mostly lower compared with the conventional high viscosity material, and, at best, comparable to the conventional flowable composite. Linear correlations of the mechanical properties investigated were poor with degree of conversion (0.090.8). Softening in ethanol revealed differences in polymer network density between material types. The reduction of time and improvement of convenience associated with bulk-fill materials is a clear advantage of this particular material class. However, a compromise with mechanical properties compared with more conventional commercially-available nano-hybrid materials was demonstrated by the present work. Given the lower mechanical

Ultra-high modulus organic fiber hybrid composites

NASA Technical Reports Server (NTRS)

Champion, A. R.

1981-01-01

An experimental organic fiber, designated Fiber D, was characterized, and its performance as a reinforcement for composites was investigated. The fiber has a modulus of 172 GPa, tensile strength of 3.14 GPa, and density of 1.46 gm/cu cm. Unidirectional Fiber D/epoxy laminates containing 60 percent fiber by volume were evaluated in flexure, shear, and compression, at room temperature and 121 C in both the as fabricated condition and after humidity aging for 14 days at 95 percent RH and 82 C. A modulus of 94.1 GPa, flexure strength of 700 MPa, shear strength of 54 MPa, and compressive strength of 232 MPa were observed at room temperature. The as-fabricated composites at elevated temperature and humidity aged material at room temperature had properties 1 to 20 percent below these values. Combined humidity aging plus evaluated temperature testing resulted in even lower mechanical properties. Hybrid composite laminates of Fiber D with Fiber FP alumina or Thornel 300 graphite fiber were also evaluated and significant increases in modulus, flexure, and compressive strengths were observed.

Using a gel/plastic surrogate to study the biomechanical response of the head under air shock loading: a combined experimental and numerical investigation.

PubMed

Zhu, Feng; Wagner, Christina; Dal Cengio Leonardi, Alessandra; Jin, Xin; Vandevord, Pamela; Chou, Clifford; Yang, King H; King, Albert I

2012-03-01

A combined experimental and numerical study was conducted to determine a method to elucidate the biomechanical response of a head surrogate physical model under air shock loading. In the physical experiments, a gel-filled egg-shaped skull/brain surrogate was exposed to blast overpressure in a shock tube environment, and static pressures within the shock tube and the surrogate were recorded throughout the event. A numerical model of the shock tube was developed using the Eulerian approach and validated against experimental data. An arbitrary Lagrangian-Eulerian (ALE) fluid-structure coupling algorithm was then utilized to simulate the interaction of the shock wave and the head surrogate. After model validation, a comprehensive series of parametric studies was carried out on the egg-shaped surrogate FE model to assess the effect of several key factors, such as the elastic modulus of the shell, bulk modulus of the core, head orientation, and internal sensor location, on pressure and strain responses. Results indicate that increasing the elastic modulus of the shell within the range simulated in this study led to considerable rise of the overpressures. Varying the bulk modulus of the core from 0.5 to 2.0 GPa, the overpressure had an increase of 7.2%. The curvature of the surface facing the shock wave significantly affected both the peak positive and negative pressures. Simulations of the head surrogate with the blunt end facing the advancing shock front had a higher pressure compared to the simulations with the pointed end facing the shock front. The influence of an opening (possibly mimicking anatomical apertures) on the peak pressures was evaluated using a surrogate head with a hole on the shell of the blunt end. It was revealed that the presence of the opening had little influence on the positive pressures but could affect the negative pressure evidently.

Scattering theory derivation of a 3D acoustic cloaking shell.

PubMed

Cummer, Steven A; Popa, Bogdan-Ioan; Schurig, David; Smith, David R; Pendry, John; Rahm, Marco; Starr, Anthony

2008-01-18

Through acoustic scattering theory we derive the mass density and bulk modulus of a spherical shell that can eliminate scattering from an arbitrary object in the interior of the shell--in other words, a 3D acoustic cloaking shell. Calculations confirm that the pressure and velocity fields are smoothly bent and excluded from the central region as for previously reported electromagnetic cloaking shells. The shell requires an anisotropic mass density with principal axes in the spherical coordinate directions and a radially dependent bulk modulus. The existence of this 3D cloaking shell indicates that such reflectionless solutions may also exist for other wave systems that are not isomorphic with electromagnetics.

Repeatability of testing procedures for resilient modulus and fatigue : appendices.

DOT National Transportation Integrated Search

1989-04-01

The article is the appendices of "Repeatability of testing procedures for resilient modulus and fatigue". : Extensive use of diametral resilient modulus and fatigue testing is made by the Oregon State Highway Division to evaluate asphaltic concrete m...

Dynamic modulus of hot mix asphalt : final report, June 2009.

DOT National Transportation Integrated Search

2009-06-01

One of the most critical parameters needed for the upcoming Mechanistic Empirical Pavement Design Guide : (MEPDG) is the dynamic modulus (E*), which will be used for flexible pavement design. The dynamic modulus : represents the stiffness of the asph...

Zero group velocity longitudinal modes in an isotropic cylinder

NASA Astrophysics Data System (ADS)

Hussain, Takasar; Ahmad, Faiz; Ozair, Muhammad

2018-06-01

Zero group velocity (ZGV) modes are studied in an isotropic cylinder. The L(0, 2) mode behaves anomalously for the materials with a value of the bulk velocity ratio, κ , in the range √{2}<κ <2.64 and normally otherwise. All higher modes, except the first few, have no ZGV point for all isotropic materials. This is explained analytically by finding the slope of phase velocity dispersion curves of modes first when the phase velocity equals κ and then at their initial state.

Structural characterization of bulk GaN crystals grown under high hydrostatic pressure

NASA Astrophysics Data System (ADS)

Liliental-Weber, Zuzanna; Kisielowski, C.; Ruvimov, S.; Chen, Y.; Washburn, J.; Grzegory, I.; Bockowski, M.; Jun, J.; Porowski, S.

1996-09-01

This paper describes TEM characterization of bulk GaN crystals grown at 1500-1800Kin the form of plates from a solution of atomic nitrogen in liquid gallium under high nitrogen pressure (up to 20 kbars). The x-ray rocking curves for these crystals were in the range of 20-30 arc-sec. The plate thickness along the c axis was about 100 times smaller than the nonpolar growth directions. A substantial difference in material quality was observed on the opposite sides of the plates normal to the c direction. On one side the surface was atomically flat, while on the other side the surface was rough, with pyramidal features up to 100 nm high. The polarity of the crystals was determined using convergent-beam electron diffraction. The results showed that, regarding the long bond between Ga and N along the c-axis, Ga atoms were found to be closer to the flat side of the crystal, while N atoms were found to be closer to the rough side. Near the rough side, within 1/10 to 1/4 of the plate thickness, there was a high density of planar defects (stacking faults and dislocation loops decorated by Ga/void precipitates). A model explaining the defect formation is proposed.

46 CFR 151.03-43 - Pressure.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 5 2010-10-01 2010-10-01 false Pressure. 151.03-43 Section 151.03-43 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Definitions § 151.03-43 Pressure. Terminology used in this part are...

46 CFR 151.03-43 - Pressure.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 5 2011-10-01 2011-10-01 false Pressure. 151.03-43 Section 151.03-43 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Definitions § 151.03-43 Pressure. Terminology used in this part are...

46 CFR 151.03-43 - Pressure.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 5 2014-10-01 2014-10-01 false Pressure. 151.03-43 Section 151.03-43 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Definitions § 151.03-43 Pressure. Terminology used in this part are...

46 CFR 151.03-43 - Pressure.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 5 2012-10-01 2012-10-01 false Pressure. 151.03-43 Section 151.03-43 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Definitions § 151.03-43 Pressure. Terminology used in this part are...

THERMODYNAMIC PROPERTIES OF MC (M = V, Nb, Ta): FIRST-PRINCIPLES CALCULATIONS

NASA Astrophysics Data System (ADS)

Cao, Yong; Zhu, Jingchuan; Liu, Yong; Long, Zhishen

2013-07-01

Through the quasi-harmonic Debye model, the pressure and temperature dependences of linear expansion coefficient, bulk modulus, Debye temperature and heat capacity have been investigated. The calculated thermodynamic properties were compared with experimental data and satisfactory agreement is reached.

A revised and unified pressure-clamp/relaxation theory for studying plant cell water relations with pressure probes: in-situ determination of cell volume for calculation of volumetric elastic modulus and hydraulic conductivity.

PubMed

Knipfer, T; Fei, J; Gambetta, G A; Shackel, K A; Matthews, M A

2014-10-21

The cell-pressure-probe is a unique tool to study plant water relations in-situ. Inaccuracy in the estimation of cell volume (νo) is the major source of error in the calculation of both cell volumetric elastic modulus (ε) and cell hydraulic conductivity (Lp). Estimates of νo and Lp can be obtained with the pressure-clamp (PC) and pressure-relaxation (PR) methods. In theory, both methods should result in comparable νo and Lp estimates, but this has not been the case. In this study, the existing νo-theories for PC and PR methods were reviewed and clarified. A revised νo-theory was developed that is equally valid for the PC and PR methods. The revised theory was used to determine νo for two extreme scenarios of solute mixing between the experimental cell and sap in the pressure probe microcapillary. Using a fully automated cell-pressure-probe (ACPP) on leaf epidermal cells of Tradescantia virginiana, the validity of the revised theory was tested with experimental data. Calculated νo values from both methods were in the range of optically determined νo (=1.1-5.0nL) for T. virginiana. However, the PC method produced a systematically lower (21%) calculated νo compared to the PR method. Effects of solute mixing could only explain a potential error in calculated νo of <3%. For both methods, this discrepancy in νo was almost identical to the discrepancy in the measured ratio of ΔV/ΔP (total change in microcapillary sap volume versus corresponding change in cell turgor) of 19%, which is a fundamental parameter in calculating νo. It followed from the revised theory that the ratio of ΔV/ΔP was inversely related to the solute reflection coefficient. This highlighted that treating the experimental cell as an ideal osmometer in both methods is potentially not correct. Effects of non-ideal osmotic behavior by transmembrane solute movement may be minimized in the PR as compared to the PC method. Copyright © 2014 Elsevier Ltd. All rights reserved.

Zero-Field Ambient-Pressure Quantum Criticality in the Stoichiometric Non-Fermi Liquid System CeRhBi

NASA Astrophysics Data System (ADS)

Anand, Vivek K.; Adroja, Devashibhai T.; Hillier, Adrian D.; Shigetoh, Keisuke; Takabatake, Toshiro; Park, Je-Geun; McEwen, Keith A.; Pixley, Jedediah H.; Si, Qimiao