Equation of state and electron localisation in fcc lithium

DOE PAGES

Frost, Mungo; Levitan, Abraham L.; Sun, Peihao; ...

2018-02-14

We present an improved equation of state for the high-pressure fcc phase of lithium with ambient temperature experimental data, extending the pressure range of previous studies to 36 GPa. Accompanying density functional theory calculations, which reproduce the experimental equation of state, show that with increasing density the phase diverges from a nearly free electron metal. At the high pressure limit of its stability fcc lithium exhibits enhanced electron density on the octahedral interstices with a high degree of localisation.

Anomalous Transport Properties of Dense QCD in a Magnetic Field

NASA Astrophysics Data System (ADS)

de la Incera, Vivian

2017-06-01

Despite recent advancements in the study and understanding of the phase diagram of strongly interacting matter, the region of high baryonic densities and low temperatures has remained difficult to reach in the lab. Things are expected to change with the planned HIC experiments at FAIR in Germany and NICA in Russia, which will open a window to the high-density-low-temperature segment of the QCD phase map, providing a unique opportunity to test the validity of model calculations that have predicted the formation of spatially inhomogeneous phases with broken chiral symmetry at intermediate-to-high densities. Such a density region is also especially relevant for the physics of neutron stars, as they have cores that can have several times the nuclear saturation density. On the other hand, strong magnetic fields, whose presence is fairly common in HIC and in neutron stars, can affect the properties of these exotic phases and lead to signatures potentially observable in these two settings. In this paper, I examine the anomalous transport properties produced by the spectral asymmetry of the lowest Landau level (LLL) in a QCD-inspired NJL model with a background magnetic field that exhibits chiral symmetry breaking at high density via the formation of a Dual Chiral Density Wave (DCDW) condensate. It turns out that in this model the electromagnetic interactions are described by the axion electrodynamics equations and there is a dissipationless Hall current.

High-Strength Nanotwinned Al Alloys with 9R Phase.

PubMed

Li, Qiang; Xue, Sichuang; Wang, Jian; Shao, Shuai; Kwong, Anthony H; Giwa, Adenike; Fan, Zhe; Liu, Yue; Qi, Zhimin; Ding, Jie; Wang, Han; Greer, Julia R; Wang, Haiyan; Zhang, Xinghang

2018-03-01

Light-weight aluminum (Al) alloys have widespread applications. However, most Al alloys have inherently low mechanical strength. Nanotwins can induce high strength and ductility in metallic materials. Yet, introducing high-density growth twins into Al remains difficult due to its ultrahigh stacking-fault energy. In this study, it is shown that incorporating merely several atomic percent of Fe solutes into Al enables the formation of nanotwinned (nt) columnar grains with high-density 9R phase in Al(Fe) solid solutions. The nt Al-Fe alloy coatings reach a maximum hardness of ≈5.5 GPa, one of the strongest binary Al alloys ever created. In situ uniaxial compressions show that the nt Al-Fe alloys populated with 9R phase have flow stress exceeding 1.5 GPa, comparable to high-strength steels. Molecular dynamics simulations reveal that high strength and hardening ability of Al-Fe alloys arise mainly from the high-density 9R phase and nanoscale grain sizes. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dynamics and diffusion mechanism of low-density liquid silicon

DOE PAGES

Shen, B.; Wang, Z. Y.; Dong, F.; ...

2015-11-05

A first-order phase transition from a high-density liquid to a low-density liquid has been proposed to explain the various thermodynamic anomies of water. It also has been proposed that such liquid–liquid phase transition would exist in supercooled silicon. Computer simulation studies show that, across the transition, the diffusivity drops roughly 2 orders of magnitude, and the structures exhibit considerable tetrahedral ordering. The resulting phase is a highly viscous, low-density liquid silicon. Investigations on the atomic diffusion of such a novel form of liquid silicon are of high interest. Here we report such diffusion results from molecular dynamics simulations using themore » classical Stillinger–Weber (SW) potential of silicon. We show that the atomic diffusion of the low-density liquid is highly correlated with local tetrahedral geometries. We also show that atoms diffuse through hopping processes within short ranges, which gradually accumulate to an overall random motion for long ranges as in normal liquids. There is a close relationship between dynamical heterogeneity and hopping process. We point out that the above diffusion mechanism is closely related to the strong directional bonding nature of the distorted tetrahedral network. Here, our work offers new insights into the complex behavior of the highly viscous low density liquid silicon, suggesting similar diffusion behaviors in other tetrahedral coordinated liquids that exhibit liquid–liquid phase transition such as carbon and germanium.« less

Search for the First-Order Liquid-to-Liquid Phase Transition in Low-Temperature Confined Water by Neutron Scattering

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

Chen, Sow-Hsin; Wang, Zhe; Kolesnikov, Alexander I

2013-01-01

It has been conjectured that a 1st order liquid-to-liquid (L-L) phase transition (LLPT) between high density liquid (HDL) and low density liquid (LDL) in supercooled water may exist, as a thermodynamic extension to the liquid phase of the 1st order transition established between the two bulk solid phases of amorphous ice, the high density amorphous ice (HDA) and the low density amorphous ice (LDA). In this paper, we first recall our previous attempts to establish the existence of the 1st order L-L phase transition through the use of two neutron scattering techniques: a constant Q elastic diffraction study of isobaricmore » temperature scan of the D2O density, namely, the equation of state (EOS) measurements. A pronounced density hysteresis phenomenon in the temperature scan of the density above P = 1500 bar is observed which gives a plausible evidence of crossing the 1st order L-L phase transition line above this pressure; an incoherent quasi-elastic scattering measurements of temperature-dependence of the alpha-relaxation time of H2O at a series of pressures, namely, the study of the Fragile-to-Strong dynamic crossover (FSC) phenomenon as a function of pressure which we interpreted as the results of crossing the Widom line in the one-phase region. In this new experiment, we used incoherent inelastic neutron scattering (INS) to measure the density of states (DOS) of H atoms in H2O molecules in confined water as function of temperature and pressure, through which we may be able to follow the emergence of the LDL and HDL phases at supercooled temperature and high pressures. We here report for the first time the differences of librational and translational DOSs between the hypothetical HDL and LDL phases, which are similar to the corresponding differences between the well-established HDA and LDA ices. This is plausible evidence that the HDL and LDL phases are the thermodynamic extensions of the corresponding amorphous solid water HDA and LDA ices.« less

Search for the first-order liquid-to-liquid phase transition in low-temperature confined water by neutron scattering

NASA Astrophysics Data System (ADS)

Chen, Sow-Hsin; Wang, Zhe; Kolesnikov, Alexander I.; Zhang, Yang; Liu, Kao-Hsiang

2013-02-01

It has been conjectured that a 1st order liquid-to-liquid (L-L) phase transition (LLPT) between high density liquid (HDL) and low density liquid (LDL) in supercooled water may exist, as a thermodynamic extension to the liquid phase of the 1st order transition established between the two bulk solid phases of amorphous ice, the high density amorphous ice (HDA) and the low density amorphous ice (LDA). In this paper, we first recall our previous attempts to establish the existence of the 1st order L-L phase transition through the use of two neutron scattering techniques: a constant Q elastic diffraction study of isobaric temperature scan of the D2O density, namely, the equation of state (EOS) measurements. A pronounced density hysteresis phenomenon in the temperature scan of the density above P = 1500 bar is observed which gives a plausible evidence of crossing the 1st order L-L phase transition line above this pressure; an incoherent quasi-elastic scattering measurements of temperature-dependence of the α-relaxation time of H2O at a series of pressures, namely, the study of the Fragile-to-Strong dynamic crossover (FSC) phenomenon as a function of pressure which we interpreted as the results of crossing the Widom line in the one-phase region. In this new experiment, we used incoherent inelastic neutron scattering (INS) to measure the density of states (DOS) of H atoms in H2O molecules in confined water as function of temperature and pressure, through which we may be able to follow the emergence of the LDL and HDL phases at supercooled temperature and high pressures. We here report for the first time the differences of librational and translational DOSs between the hypothetical HDL and LDL phases, which are similar to the corresponding differences between the well-established HDA and LDA ices. This is plausible evidence that the HDL and LDL phases are the thermodynamic extensions of the corresponding amorphous solid water HDA and LDA ices.

Van der Waals model for phase transitions in thermoresponsive surface films.

PubMed

McCoy, John D; Curro, John G

2009-05-21

Phase transitions in polymeric surface films are studied with a simple model based on the van der Waals equation of state. Each chain is modeled by a single bead attached to the surface by an entropic-Hooke's law spring. The surface coverage is controlled by adjusting the chemical potential, and the equilibrium density profile is calculated with density functional theory. The interesting feature of this model is the multivalued nature of the density profile seen at low temperature. This van der Waals loop behavior is resolved with a Maxwell construction between a high-density phase near the wall and a low-density phase in a "vertical" phase transition. Signatures of the phase transition in experimentally measurable quantities are then found. Numerical calculations are presented for isotherms of surface pressure, for the Poisson ratio, and for the swelling ratio.

Different phases of a system of hard rods on three dimensional cubic lattice

NASA Astrophysics Data System (ADS)

Vigneshwar, N.; Dhar, Deepak; Rajesh, R.

2017-11-01

We study the different phases of a system of monodispersed hard rods of length k on a cubic lattice, using an efficient cluster algorithm able to simulate densities close to the fully-packed limit. For k≤slant 4 , the system is disordered at all densities. For k=5, 6 , we find a single density-driven transition, from a disordered phase to high density layered-disordered phase, in which the density of rods of one orientation is strongly suppressed, breaking the system into weakly coupled layers. Within a layer, the system is disordered. For k ≥slant 7 , three density-driven transitions are observed numerically: isotropic to nematic to layered-nematic to layered-disordered. In the layered-nematic phase, the system breaks up into layers, with nematic order in each layer, but very weak correlation between the ordering directions of different layers. We argue that the layered-nematic phase is a finite-size effect, and in the thermodynamic limit, the nematic phase will have higher entropy per site. We expect the systems of rods in four and higher dimensions will have a qualitatively similar phase diagram.

Asymmetric simple exclusion process with position-dependent hopping rates: Phase diagram from boundary-layer analysis.

PubMed

Mukherji, Sutapa

2018-03-01

In this paper, we study a one-dimensional totally asymmetric simple exclusion process with position-dependent hopping rates. Under open boundary conditions, this system exhibits boundary-induced phase transitions in the steady state. Similarly to totally asymmetric simple exclusion processes with uniform hopping, the phase diagram consists of low-density, high-density, and maximal-current phases. In various phases, the shape of the average particle density profile across the lattice including its boundary-layer parts changes significantly. Using the tools of boundary-layer analysis, we obtain explicit solutions for the density profile in different phases. A detailed analysis of these solutions under different boundary conditions helps us obtain the equations for various phase boundaries. Next, we show how the shape of the entire density profile including the location of the boundary layers can be predicted from the fixed points of the differential equation describing the boundary layers. We discuss this in detail through several examples of density profiles in various phases. The maximal-current phase appears to be an especially interesting phase where the boundary layer flows to a bifurcation point on the fixed-point diagram.

Asymmetric simple exclusion process with position-dependent hopping rates: Phase diagram from boundary-layer analysis

NASA Astrophysics Data System (ADS)

Mukherji, Sutapa

2018-03-01

In this paper, we study a one-dimensional totally asymmetric simple exclusion process with position-dependent hopping rates. Under open boundary conditions, this system exhibits boundary-induced phase transitions in the steady state. Similarly to totally asymmetric simple exclusion processes with uniform hopping, the phase diagram consists of low-density, high-density, and maximal-current phases. In various phases, the shape of the average particle density profile across the lattice including its boundary-layer parts changes significantly. Using the tools of boundary-layer analysis, we obtain explicit solutions for the density profile in different phases. A detailed analysis of these solutions under different boundary conditions helps us obtain the equations for various phase boundaries. Next, we show how the shape of the entire density profile including the location of the boundary layers can be predicted from the fixed points of the differential equation describing the boundary layers. We discuss this in detail through several examples of density profiles in various phases. The maximal-current phase appears to be an especially interesting phase where the boundary layer flows to a bifurcation point on the fixed-point diagram.

Challenges in QCD matter physics -The scientific programme of the Compressed Baryonic Matter experiment at FAIR

NASA Astrophysics Data System (ADS)

Ablyazimov, T.; Abuhoza, A.; Adak, R. P.; Adamczyk, M.; Agarwal, K.; Aggarwal, M. M.; Ahammed, Z.; Ahmad, F.; Ahmad, N.; Ahmad, S.; Akindinov, A.; Akishin, P.; Akishina, E.; Akishina, T.; Akishina, V.; Akram, A.; Al-Turany, M.; Alekseev, I.; Alexandrov, E.; Alexandrov, I.; Amar-Youcef, S.; Anđelić, M.; Andreeva, O.; Andrei, C.; Andronic, A.; Anisimov, Yu.; Appelshäuser, H.; Argintaru, D.; Atkin, E.; Avdeev, S.; Averbeck, R.; Azmi, M. D.; Baban, V.; Bach, M.; Badura, E.; Bähr, S.; Balog, T.; Balzer, M.; Bao, E.; Baranova, N.; Barczyk, T.; Bartoş, D.; Bashir, S.; Baszczyk, M.; Batenkov, O.; Baublis, V.; Baznat, M.; Becker, J.; Becker, K.-H.; Belogurov, S.; Belyakov, D.; Bendarouach, J.; Berceanu, I.; Bercuci, A.; Berdnikov, A.; Berdnikov, Y.; Berendes, R.; Berezin, G.; Bergmann, C.; Bertini, D.; Bertini, O.; Beşliu, C.; Bezshyyko, O.; Bhaduri, P. P.; Bhasin, A.; Bhati, A. K.; Bhattacharjee, B.; Bhattacharyya, A.; Bhattacharyya, T. K.; Biswas, S.; Blank, T.; Blau, D.; Blinov, V.; Blume, C.; Bocharov, Yu.; Book, J.; Breitner, T.; Brüning, U.; Brzychczyk, J.; Bubak, A.; Büsching, H.; Bus, T.; Butuzov, V.; Bychkov, A.; Byszuk, A.; Cai, Xu; Cãlin, M.; Cao, Ping; Caragheorgheopol, G.; Carević, I.; Cătănescu, V.; Chakrabarti, A.; Chattopadhyay, S.; Chaus, A.; Chen, Hongfang; Chen, LuYao; Cheng, Jianping; Chepurnov, V.; Cherif, H.; Chernogorov, A.; Ciobanu, M. I.; Claus, G.; Constantin, F.; Csanád, M.; D'Ascenzo, N.; Das, Supriya; Das, Susovan; de Cuveland, J.; Debnath, B.; Dementiev, D.; Deng, Wendi; Deng, Zhi; Deppe, H.; Deppner, I.; Derenovskaya, O.; Deveaux, C. A.; Deveaux, M.; Dey, K.; Dey, M.; Dillenseger, P.; Dobyrn, V.; Doering, D.; Dong, Sheng; Dorokhov, A.; Dreschmann, M.; Drozd, A.; Dubey, A. K.; Dubnichka, S.; Dubnichkova, Z.; Dürr, M.; Dutka, L.; Dželalija, M.; Elsha, V. V.; Emschermann, D.; Engel, H.; Eremin, V.; Eşanu, T.; Eschke, J.; Eschweiler, D.; Fan, Huanhuan; Fan, Xingming; Farooq, M.; Fateev, O.; Feng, Shengqin; Figuli, S. P. D.; Filozova, I.; Finogeev, D.; Fischer, P.; Flemming, H.; Förtsch, J.; Frankenfeld, U.; Friese, V.; Friske, E.; Fröhlich, I.; Frühauf, J.; Gajda, J.; Galatyuk, T.; Gangopadhyay, G.; García Chávez, C.; Gebelein, J.; Ghosh, P.; Ghosh, S. K.; Gläßel, S.; Goffe, M.; Golinka-Bezshyyko, L.; Golovatyuk, V.; Golovnya, S.; Golovtsov, V.; Golubeva, M.; Golubkov, D.; Gómez Ramírez, A.; Gorbunov, S.; Gorokhov, S.; Gottschalk, D.; Gryboś, P.; Grzeszczuk, A.; Guber, F.; Gudima, K.; Gumiński, M.; Gupta, A.; Gusakov, Yu.; Han, Dong; Hartmann, H.; He, Shue; Hehner, J.; Heine, N.; Herghelegiu, A.; Herrmann, N.; Heß, B.; Heuser, J. M.; Himmi, A.; Höhne, C.; Holzmann, R.; Hu, Dongdong; Huang, Guangming; Huang, Xinjie; Hutter, D.; Ierusalimov, A.; Ilgenfritz, E.-M.; Irfan, M.; Ivanischev, D.; Ivanov, M.; Ivanov, P.; Ivanov, Valery; Ivanov, Victor; Ivanov, Vladimir; Ivashkin, A.; Jaaskelainen, K.; Jahan, H.; Jain, V.; Jakovlev, V.; Janson, T.; Jiang, Di; Jipa, A.; Kadenko, I.; Kähler, P.; Kämpfer, B.; Kalinin, V.; Kallunkathariyil, J.; Kampert, K.-H.; Kaptur, E.; Karabowicz, R.; Karavichev, O.; Karavicheva, T.; Karmanov, D.; Karnaukhov, V.; Karpechev, E.; Kasiński, K.; Kasprowicz, G.; Kaur, M.; Kazantsev, A.; Kebschull, U.; Kekelidze, G.; Khan, M. M.; Khan, S. A.; Khanzadeev, A.; Khasanov, F.; Khvorostukhin, A.; Kirakosyan, V.; Kirejczyk, M.; Kiryakov, A.; Kiš, M.; Kisel, I.; Kisel, P.; Kiselev, S.; Kiss, T.; Klaus, P.; Kłeczek, R.; Klein-Bösing, Ch.; Kleipa, V.; Klochkov, V.; Kmon, P.; Koch, K.; Kochenda, L.; Koczoń, P.; Koenig, W.; Kohn, M.; Kolb, B. W.; Kolosova, A.; Komkov, B.; Korolev, M.; Korolko, I.; Kotte, R.; Kovalchuk, A.; Kowalski, S.; Koziel, M.; Kozlov, G.; Kozlov, V.; Kramarenko, V.; Kravtsov, P.; Krebs, E.; Kreidl, C.; Kres, I.; Kresan, D.; Kretschmar, G.; Krieger, M.; Kryanev, A. V.; Kryshen, E.; Kuc, M.; Kucewicz, W.; Kucher, V.; Kudin, L.; Kugler, A.; Kumar, Ajit; Kumar, Ashwini; Kumar, L.; Kunkel, J.; Kurepin, A.; Kurepin, N.; Kurilkin, A.; Kurilkin, P.; Kushpil, V.; Kuznetsov, S.; Kyva, V.; Ladygin, V.; Lara, C.; Larionov, P.; Laso García, A.; Lavrik, E.; Lazanu, I.; Lebedev, A.; Lebedev, S.; Lebedeva, E.; Lehnert, J.; Lehrbach, J.; Leifels, Y.; Lemke, F.; Li, Cheng; Li, Qiyan; Li, Xin; Li, Yuanjing; Lindenstruth, V.; Linnik, B.; Liu, Feng; Lobanov, I.; Lobanova, E.; Löchner, S.; Loizeau, P.-A.; Lone, S. A.; Lucio Martínez, J. A.; Luo, Xiaofeng; Lymanets, A.; Lyu, Pengfei; Maevskaya, A.; Mahajan, S.; Mahapatra, D. P.; Mahmoud, T.; Maj, P.; Majka, Z.; Malakhov, A.; Malankin, E.; Malkevich, D.; Malyatina, O.; Malygina, H.; Mandal, M. M.; Mandal, S.; Manko, V.; Manz, S.; Marin Garcia, A. M.; Markert, J.; Masciocchi, S.; Matulewicz, T.; Meder, L.; Merkin, M.; Mialkovski, V.; Michel, J.; Miftakhov, N.; Mik, L.; Mikhailov, K.; Mikhaylov, V.; Milanović, B.; Militsija, V.; Miskowiec, D.; Momot, I.; Morhardt, T.; Morozov, S.; Müller, W. F. J.; Müntz, C.; Mukherjee, S.; Muñoz Castillo, C. E.; Murin, Yu.; Najman, R.; Nandi, C.; Nandy, E.; Naumann, L.; Nayak, T.; Nedosekin, A.; Negi, V. S.; Niebur, W.; Nikulin, V.; Normanov, D.; Oancea, A.; Oh, Kunsu; Onishchuk, Yu.; Ososkov, G.; Otfinowski, P.; Ovcharenko, E.; Pal, S.; Panasenko, I.; Panda, N. R.; Parzhitskiy, S.; Patel, V.; Pauly, C.; Penschuck, M.; Peshekhonov, D.; Peshekhonov, V.; Petráček, V.; Petri, M.; Petriş, M.; Petrovici, A.; Petrovici, M.; Petrovskiy, A.; Petukhov, O.; Pfeifer, D.; Piasecki, K.; Pieper, J.; Pietraszko, J.; Płaneta, R.; Plotnikov, V.; Plujko, V.; Pluta, J.; Pop, A.; Pospisil, V.; Poźniak, K.; Prakash, A.; Prasad, S. K.; Prokudin, M.; Pshenichnov, I.; Pugach, M.; Pugatch, V.; Querchfeld, S.; Rabtsun, S.; Radulescu, L.; Raha, S.; Rami, F.; Raniwala, R.; Raniwala, S.; Raportirenko, A.; Rautenberg, J.; Rauza, J.; Ray, R.; Razin, S.; Reichelt, P.; Reinecke, S.; Reinefeld, A.; Reshetin, A.; Ristea, C.; Ristea, O.; Rodriguez Rodriguez, A.; Roether, F.; Romaniuk, R.; Rost, A.; Rostchin, E.; Rostovtseva, I.; Roy, Amitava; Roy, Ankhi; Rożynek, J.; Ryabov, Yu.; Sadovsky, A.; Sahoo, R.; Sahu, P. K.; Sahu, S. K.; Saini, J.; Samanta, S.; Sambyal, S. S.; Samsonov, V.; Sánchez Rosado, J.; Sander, O.; Sarangi, S.; Satława, T.; Sau, S.; Saveliev, V.; Schatral, S.; Schiaua, C.; Schintke, F.; Schmidt, C. J.; Schmidt, H. R.; Schmidt, K.; Scholten, J.; Schweda, K.; Seck, F.; Seddiki, S.; Selyuzhenkov, I.; Semennikov, A.; Senger, A.; Senger, P.; Shabanov, A.; Shabunov, A.; Shao, Ming; Sheremetiev, A. D.; Shi, Shusu; Shumeiko, N.; Shumikhin, V.; Sibiryak, I.; Sikora, B.; Simakov, A.; Simon, C.; Simons, C.; Singaraju, R. N.; Singh, A. K.; Singh, B. K.; Singh, C. P.; Singhal, V.; Singla, M.; Sitzmann, P.; Siwek-Wilczyńska, K.; Škoda, L.; Skwira-Chalot, I.; Som, I.; Song, Guofeng; Song, Jihye; Sosin, Z.; Soyk, D.; Staszel, P.; Strikhanov, M.; Strohauer, S.; Stroth, J.; Sturm, C.; Sultanov, R.; Sun, Yongjie; Svirida, D.; Svoboda, O.; Szabó, A.; Szczygieł, R.; Talukdar, R.; Tang, Zebo; Tanha, M.; Tarasiuk, J.; Tarassenkova, O.; Târzilă, M.-G.; Teklishyn, M.; Tischler, T.; Tlustý, P.; Tölyhi, T.; Toia, A.; Topil'skaya, N.; Träger, M.; Tripathy, S.; Tsakov, I.; Tsyupa, Yu.; Turowiecki, A.; Tuturas, N. G.; Uhlig, F.; Usenko, E.; Valin, I.; Varga, D.; Vassiliev, I.; Vasylyev, O.; Verbitskaya, E.; Verhoeven, W.; Veshikov, A.; Visinka, R.; Viyogi, Y. P.; Volkov, S.; Volochniuk, A.; Vorobiev, A.; Voronin, Aleksey; Voronin, Alexander; Vovchenko, V.; Vznuzdaev, M.; Wang, Dong; Wang, Xi-Wei; Wang, Yaping; Wang, Yi; Weber, M.; Wendisch, C.; Wessels, J. P.; Wiebusch, M.; Wiechula, J.; Wielanek, D.; Wieloch, A.; Wilms, A.; Winckler, N.; Winter, M.; Wiśniewski, K.; Wolf, Gy.; Won, Sanguk; Wu, Ke-Jun; Wüstenfeld, J.; Xiang, Changzhou; Xu, Nu; Yang, Junfeng; Yang, Rongxing; Yin, Zhongbao; Yoo, In-Kwon; Yuldashev, B.; Yushmanov, I.; Zabołotny, W.; Zaitsev, Yu.; Zamiatin, N. I.; Zanevsky, Yu.; Zhalov, M.; Zhang, Yifei; Zhang, Yu; Zhao, Lei; Zheng, Jiajun; Zheng, Sheng; Zhou, Daicui; Zhou, Jing; Zhu, Xianglei; Zinchenko, A.; Zipper, W.; Żoładź, M.; Zrelov, P.; Zryuev, V.; Zumbruch, P.; Zyzak, M.

2017-03-01

Substantial experimental and theoretical efforts worldwide are devoted to explore the phase diagram of strongly interacting matter. At LHC and top RHIC energies, QCD matter is studied at very high temperatures and nearly vanishing net-baryon densities. There is evidence that a Quark-Gluon-Plasma (QGP) was created at experiments at RHIC and LHC. The transition from the QGP back to the hadron gas is found to be a smooth cross over. For larger net-baryon densities and lower temperatures, it is expected that the QCD phase diagram exhibits a rich structure, such as a first-order phase transition between hadronic and partonic matter which terminates in a critical point, or exotic phases like quarkyonic matter. The discovery of these landmarks would be a breakthrough in our understanding of the strong interaction and is therefore in the focus of various high-energy heavy-ion research programs. The Compressed Baryonic Matter (CBM) experiment at FAIR will play a unique role in the exploration of the QCD phase diagram in the region of high net-baryon densities, because it is designed to run at unprecedented interaction rates. High-rate operation is the key prerequisite for high-precision measurements of multi-differential observables and of rare diagnostic probes which are sensitive to the dense phase of the nuclear fireball. The goal of the CBM experiment at SIS100 (√{s_{NN}}= 2.7-4.9 GeV) is to discover fundamental properties of QCD matter: the phase structure at large baryon-chemical potentials ( μ_B > 500 MeV), effects of chiral symmetry, and the equation of state at high density as it is expected to occur in the core of neutron stars. In this article, we review the motivation for and the physics programme of CBM, including activities before the start of data taking in 2024, in the context of the worldwide efforts to explore high-density QCD matter.

Highly Accurate Calculations of the Phase Diagram of Cold Lithium

NASA Astrophysics Data System (ADS)

Shulenburger, Luke; Baczewski, Andrew

The phase diagram of lithium is particularly complicated, exhibiting many different solid phases under the modest application of pressure. Experimental efforts to identify these phases using diamond anvil cells have been complemented by ab initio theory, primarily using density functional theory (DFT). Due to the multiplicity of crystal structures whose enthalpy is nearly degenerate and the uncertainty introduced by density functional approximations, we apply the highly accurate many-body diffusion Monte Carlo (DMC) method to the study of the solid phases at low temperature. These calculations span many different phases, including several with low symmetry, demonstrating the viability of DMC as a method for calculating phase diagrams for complex solids. Our results can be used as a benchmark to test the accuracy of various density functionals. This can strengthen confidence in DFT based predictions of more complex phenomena such as the anomalous melting behavior predicted for lithium at high pressures. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Neutral-depletion-induced axially asymmetric density in a helicon source and imparted thrust

NASA Astrophysics Data System (ADS)

Takahashi, Kazunori; Takao, Yoshinori; Ando, Akira

2016-02-01

The high plasma density downstream of the source is observed to be sustained only for a few hundreds of microsecond at the initial phase of the discharge, when pulsing the radiofrequency power of a helicon plasma thruster. Measured relative density of argon neutrals inside the source implies that the neutrals are significantly depleted there. A position giving a maximum plasma density temporally moves to the upstream side of the source due to the neutral depletion and then the exhausted plasma density significantly decreases. The direct thrust measurement demonstrates that the higher thrust-to-power ratio is obtained by using only the initial phase of the high density plasma, compared with the steady-state operation.

Nature of phase transitions in crystalline and amorphous GeTe-Sb2Te3 phase change materials.

PubMed

Kalkan, B; Sen, S; Clark, S M

2011-09-28

The thermodynamic nature of phase stabilities and transformations are investigated in crystalline and amorphous Ge(1)Sb(2)Te(4) (GST124) phase change materials as a function of pressure and temperature using high-resolution synchrotron x-ray diffraction in a diamond anvil cell. The phase transformation sequences upon compression, for cubic and hexagonal GST124 phases are found to be: cubic → amorphous → orthorhombic → bcc and hexagonal → orthorhombic → bcc. The Clapeyron slopes for melting of the hexagonal and bcc phases are negative and positive, respectively, resulting in a pressure dependent minimum in the liquidus. When taken together, the phase equilibria relations are consistent with the presence of polyamorphism in this system with the as-deposited amorphous GST phase being the low entropy low-density amorphous phase and the laser melt-quenched and high-pressure amorphized GST being the high entropy high-density amorphous phase. The metastable phase boundary between these two polyamorphic phases is expected to have a negative Clapeyron slope. © 2011 American Institute of Physics

Phase transition in conjugated oligomers suspended in chloroform

NASA Astrophysics Data System (ADS)

Dwivedi, Shikha; Kumar, Anupam; Yadav, S. N. S.; Mishra, Pankaj

2015-08-01

Density functional theory (DFT) has been used to investigate the isotropic-nematic (I-N) phase transition in a system of high aspect ratio conjugated oligomers suspended in chloroform. The interaction between the oligomers is modeled using Gay-Berne potential in which effect of solvent is implicit. Percus-Yevick integral equation theory has been used to evaluate the pair correlation functions of the fluid phase at several temperatures and densities. These pair correlation function has been used in the DFT to evaluate the I-N freezing parameters. Highly oriented nematic is found to stabilize at low density. The results obtained are in qualitative agreement with the simulation and are verifiable.

Phase transformations of 4,4'-biphenyldicarboxylic acid on Cu(001)

NASA Astrophysics Data System (ADS)

Schwarz, Daniel; van Gastel, Raoul; Zandvliet, Harold J. W.; Poelsema, Bene

2012-06-01

The growth and structure of 4,4'-biphenyldicarboxylic-acid (BDA) on Cu(001) at temperatures between 300 and 400 K was studied by low energy electron microscopy and μ-LEED. First, the adsorbed BDA molecules form a disordered dilute phase. Once this phase reaches a sufficiently high density, a crystalline phase nucleates, in which the molecules form a hydrogen-bonded two-dimensional (2D) supramolecular c(8×8) network. By a careful analysis of the bright-field image intensity, we can measure the density in the dilute phase, which is up to 30% of that in the crystalline phase. From the respective equilibrium densities at different temperatures, we determine the 2D phase diagram and extract a cohesive energy of 0.35 eV. We also analyze the island decay behavior and estimate the BDA molecule diffusion constants. Steps are found to be highly transparent for diffusing BDA molecules. In the temperature range of 362-400 K, we find chemical diffusion constants between 850-1700nm2s-1.

Reentrant equilibrium disordering in nanoparticle–polymer mixtures

DOE PAGES

Meng, Dong; Kumar, Sanat K.; Grest, Gary S.; ...

2017-01-31

A large body of experimental work has established that athermal colloid/polymer mixtures undergo a sequence of transitions from a disordered fluid state to a colloidal crystal to a second disordered phase with increasing polymer concentration. These transitions are driven by polymer-mediated interparticle attraction, which is a function of both the polymer density and size. It has been posited that the disordered state at high polymer density is a consequence of strong interparticle attractions that kinetically inhibit the formation of the colloidal crystal, i.e., the formation of a non-equilibrium gel phase interferes with crystallization. Here we use molecular dynamics simulations andmore » density functional theory on polymers and nanoparticles (NPs) of comparable size and show that the crystal-disordered phase coexistence at high polymer density for sufficiently long chains corresponds to an equilibrium thermodynamic phase transition. While the crystal is, indeed, stabilized at intermediate polymer density by polymer-induced intercolloid attractions, it is destabilized at higher densities because long chains lose significant configurational entropy when they are forced to occupy all of the crystal voids. Finally, our results are in quantitative agreement with existing experimental data and show that, at least in the nanoparticle limit of sufficiently small colloidal particles, the crystal phase only has a modest range of thermodynamic stability.« less

Nonlinear effects of climate and density in the dynamics of a fluctuating population of reindeer.

PubMed

Tyler, Nicholas J C; Forchhammer, Mads C; Øritsland, Nils Are

2008-06-01

Nonlinear and irregular population dynamics may arise as a result of phase dependence and coexistence of multiple attractors. Here we explore effects of climate and density in the dynamics of a highly fluctuating population of wild reindeer (Rangifer tarandus platyrhynchus) on Svalbard observed over a period of 29 years. Time series analyses revealed that density dependence and the effects of local climate (measured as the degree of ablation [melting] of snow during winter) on numbers were both highly nonlinear: direct negative density dependence was found when the population was growing (Rt > 0) and during phases of the North Atlantic Oscillation (NAO) characterized by winters with generally high (1979-1995) and low (1996-2007) indices, respectively. A growth-phase-dependent model explained the dynamics of the population best and revealed the influence of density-independent processes on numbers that a linear autoregressive model missed altogether. In particular, the abundance of reindeer was enhanced by ablation during phases of growth (Rt > 0), an observation that contrasts with the view that periods of mild weather in winter are normally deleterious for reindeer owing to icing of the snowpack. Analyses of vital rates corroborated the nonlinearity described in the population time series and showed that both starvation mortality in winter and fecundity were nonlinearly related to fluctuations in density and the level of ablation. The erratic pattern of growth of the population of reindeer in Adventdalen seems, therefore, to result from a combination of the effects of nonlinear density dependence, strong density-dependent mortality, and variable density independence related to ablation in winter.

Simultaneous measurements of density field and wavefront distortions in high speed flows

NASA Astrophysics Data System (ADS)

George, Jacob; Jenkins, Thomas; Trolinger, James; Hess, Cecil; Buckner, Benjamin

2017-09-01

This paper presents results from simultaneous measurements of fluid density and the resulting wavefront distortions in a sonic underexpanded jet. The density measurements were carried out using Rayleigh scattering, and the optical distortions were measured using a wavefront sensor based on phase shifting interferometry. The measurements represent a preliminary step toward relating wavefront distortions to a specific flow structure. The measured density field is used to compute the phase distortions using a wave propagation model based on a geometric-optics approximation, and the computed phase map shows moderate agreement with that obtained using the wavefront sensor.

A new method for determining the plasma electron density using optical frequency comb interferometer

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

Arakawa, Hiroyuki, E-mail: arakawa@fmt.teikyo-u.ac.jp; Tojo, Hiroshi; Sasao, Hajime

2014-04-15

A new method of plasma electron density measurement using interferometric phases (fractional fringes) of an optical frequency comb interferometer is proposed. Using the characteristics of the optical frequency comb laser, high density measurement can be achieved without fringe counting errors. Simulations show that the short wavelength and wide wavelength range of the laser source and low noise in interferometric phases measurements are effective to reduce ambiguity of measured density.

Research on the phase adjustment method for dispersion interferometer on HL-2A tokamak

NASA Astrophysics Data System (ADS)

Tongyu, WU; Wei, ZHANG; Haoxi, WANG; Yan, ZHOU; Zejie, YIN

2018-06-01

A synchronous demodulation system is proposed and deployed for CO2 dispersion interferometer on HL-2A, which aims at high plasma density measurements and real-time feedback control. In order to make sure that the demodulator and the interferometer signal are synchronous in phase, a phase adjustment (PA) method has been developed for the demodulation system. The method takes advantages of the field programmable gate array parallel and pipeline process capabilities to carry out high performance and low latency PA. Some experimental results presented show that the PA method is crucial to the synchronous demodulation system and reliable to follow the fast change of the electron density. The system can measure the line-integrated density with a high precision of 2.0 × 1018 m‑2.

Pressure-induced transformations in amorphous silicon: A computational study

NASA Astrophysics Data System (ADS)

Garcez, K. M. S.; Antonelli, A.

2014-02-01

We study the transformations between amorphous phases of Si through molecular simulations using the environment dependent interatomic potential (EDIP) for Si. Our results show that upon pressure, the material undergoes a transformation from the low density amorphous (LDA) Si to the high density amorphous (HDA) Si. This transformation can be reversed by decompressing the material. This process, however, exhibits clear hysteresis, suggesting that the transformation LDA ↔ HDA is first-order like. The HDA phase is predominantly five-fold coordinated, whereas the LDA phase is the normal tetrahedrally bonded amorphous Si. The HDA phase at 400 K and 20 GPa was submitted to an isobaric annealing up to 800 K, resulting in a denser amorphous phase, which is structurally distinct from the HDA phase. Our results also show that the atomic volume and structure of this new amorphous phase are identical to those of the glass obtained by an isobaric quenching of the liquid in equilibrium at 2000 K and 20 GPa down to 400 K. The similarities between our results and those for amorphous ices suggest that this new phase is the very high density amorphous Si.

Potential Energy Landscape of the Liquid-Liquid Phase Transition in Water and the transformation between Low-Density and High-Density Amorphous Ice

NASA Astrophysics Data System (ADS)

Giovambattista, N.; Sciortino, F.; Starr, F. W.; Poole, P. H.

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics for describing supercooled liquids and glasses. We use the PEL formalism and computer simulations to study the transformation between low-density (LDL) and high-density liquid (HDL) water, and between low-density (LDA) and high-density amorphous ice (HDA). We employ the ST2 water model that exhibits a LDL-HDL first-order phase transition and a sharp LDA-HDA transformation, as observed in experiments. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that LDL configurations are located in the same megabasin as LDA, and that HDL configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid and the amorphous ice differ. We also study the liquid-to-ice-VII first-order phase transition. The PEL properties across this transition are qualitatively similar to the changes found during the LDA-HDA transformation, supporting the interpretation that the LDA-HDA transformation is a first-order-like phase transition between out-of-equilibrium states.

A single-phase elastic hyperbolic metamaterial with anisotropic mass density.

PubMed

Zhu, R; Chen, Y Y; Wang, Y S; Hu, G K; Huang, G L

2016-06-01

Wave propagation can be manipulated at a deep subwavelength scale through the locally resonant metamaterial that possesses unusual effective material properties. Hyperlens due to metamaterial's anomalous anisotropy can lead to superior-resolution imaging. In this paper, a single-phase elastic metamaterial with strongly anisotropic effective mass density has been designed. The proposed metamaterial utilizes the independently adjustable locally resonant motions of the subwavelength-scale microstructures along the two principal directions. High anisotropy in the effective mass densities obtained by the numerical-based effective medium theory can be found and even have opposite signs. For practical applications, shunted piezoelectric elements are introduced into the microstructure to tailor the effective mass density in a broad frequency range. Finally, to validate the design, an elastic hyperlens made of the single-phase hyperbolic metamaterial is proposed with subwavelength longitudinal wave imaging illustrated numerically. The proposed single-phase hyperbolic metamaterial has many promising applications for high resolution damage imaging in nondestructive evaluation and structural health monitoring.

Re-entrant phase behavior for systems with competition between phase separation and self-assembly

NASA Astrophysics Data System (ADS)

Reinhardt, Aleks; Williamson, Alexander J.; Doye, Jonathan P. K.; Carrete, Jesús; Varela, Luis M.; Louis, Ard A.

2011-03-01

In patchy particle systems where there is a competition between the self-assembly of finite clusters and liquid-vapor phase separation, re-entrant phase behavior can be observed, with the system passing from a monomeric vapor phase to a region of liquid-vapor phase coexistence and then to a vapor phase of clusters as the temperature is decreased at constant density. Here, we present a classical statistical mechanical approach to the determination of the complete phase diagram of such a system. We model the system as a van der Waals fluid, but one where the monomers can assemble into monodisperse clusters that have no attractive interactions with any of the other species. The resulting phase diagrams show a clear region of re-entrance. However, for the most physically reasonable parameter values of the model, this behavior is restricted to a certain range of density, with phase separation still persisting at high densities.

Iterative projection algorithms for ab initio phasing in virus crystallography.

PubMed

Lo, Victor L; Kingston, Richard L; Millane, Rick P

2016-12-01

Iterative projection algorithms are proposed as a tool for ab initio phasing in virus crystallography. The good global convergence properties of these algorithms, coupled with the spherical shape and high structural redundancy of icosahedral viruses, allows high resolution phases to be determined with no initial phase information. This approach is demonstrated by determining the electron density of a virus crystal with 5-fold non-crystallographic symmetry, starting with only a spherical shell envelope. The electron density obtained is sufficiently accurate for model building. The results indicate that iterative projection algorithms should be routinely applicable in virus crystallography, without the need for ancillary phase information. Copyright © 2016 Elsevier Inc. All rights reserved.

Large Energy Storage Density and High Thermal Stability in a Highly Textured (111)-Oriented Pb0.8Ba0.2ZrO3 Relaxor Thin Film with the Coexistence of Antiferroelectric and Ferroelectric Phases.

PubMed

Peng, Biaolin; Zhang, Qi; Li, Xing; Sun, Tieyu; Fan, Huiqing; Ke, Shanming; Ye, Mao; Wang, Yu; Lu, Wei; Niu, Hanben; Zeng, Xierong; Huang, Haitao

2015-06-24

A highly textured (111)-oriented Pb0.8Ba0.2ZrO3 (PBZ) relaxor thin film with the coexistence of antiferroelectric (AFE) and ferroelectric (FE) phases was prepared on a Pt/TiOx/SiO2/Si(100) substrate by using a sol-gel method. A large recoverable energy storage density of 40.18 J/cm(3) along with an efficiency of 64.1% was achieved at room temperature. Over a wide temperature range of 250 K (from room temperature to 523 K), the variation of the energy density is within 5%, indicating a high thermal stability. The high energy storage performance was endowed by a large dielectric breakdown strength, great relaxor dispersion, highly textured orientation, and the coexistence of FE and AFE phases. The PBZ thin film is believed to be an attractive material for applications in energy storage systems over a wide temperature range.

Phase contrast in high resolution electron microscopy

DOEpatents

Rose, H.H.

1975-09-23

This patent relates to a device for developing a phase contrast signal for a scanning transmission electron microscope. The lens system of the microscope is operated in a condition of defocus so that predictable alternate concentric regions of high and low electron density exist in the cone of illumination. Two phase detectors are placed beneath the object inside the cone of illumination, with the first detector having the form of a zone plate, each of its rings covering alternate regions of either higher or lower electron density. The second detector is so configured that it covers the regions of electron density not covered by the first detector. Each detector measures the number of electrons incident thereon and the signal developed by the first detector is subtracted from the signal developed by the record detector to provide a phase contrast signal. (auth)

Orbitally limited pair-density-wave phase of multilayer superconductors

NASA Astrophysics Data System (ADS)

Möckli, David; Yanase, Youichi; Sigrist, Manfred

2018-04-01

We investigate the magnetic field dependence of an ideal superconducting vortex lattice in the parity-mixed pair-density-wave phase of multilayer superconductors within a circular cell Ginzburg-Landau approach. In multilayer systems, due to local inversion symmetry breaking, a Rashba spin-orbit coupling is induced at the outer layers. This combined with a perpendicular paramagnetic (Pauli) limiting magnetic field stabilizes a staggered layer dependent pair-density-wave phase in the superconducting singlet channel. The high-field pair-density-wave phase is separated from the low-field BCS phase by a first-order phase transition. The motivating guiding question in this paper is: What is the minimal necessary Maki parameter αM for the appearance of the pair-density-wave phase of a superconducting trilayer system? To address this problem we generalize the circular cell method for the regular flux-line lattice of a type-II superconductor to include paramagnetic depairing effects. Then, we apply the model to the trilayer system, where each of the layers are characterized by Ginzburg-Landau parameter κ0 and a Maki parameter αM. We find that when the spin-orbit Rashba interaction compares to the superconducting condensation energy, the orbitally limited pair-density-wave phase stabilizes for Maki parameters αM>10 .

Nano-Magnets and Additive Manufacturing for Electric Motors

NASA Technical Reports Server (NTRS)

Misra, Ajay K.

2014-01-01

High power density is required for application of electric motors in hybrid electric propulsion. Potential path to achieve high power density in electric motors include advanced materials, lightweight thermal management, lightweight structural concepts, high power density power electronics, and advanced manufacturing. This presentation will focus on two key technologies for achieving high power density, advanced magnets and additive manufacturing. The maximum energy product in current magnets is reaching their theoretical limits as a result of material and process improvements. Future improvements in the maximum energy product for magnets can be achieved through development of nanocomposite magnets combining the hard magnetic phase and soft magnetic phase at the nanoscale level. The presentation will provide an overview of the current state of development for nanocomposite magnets and the future path for doubling the maximum energy product. The other part of the presentation will focus on the role of additive manufacturing in fabrication of high power density electric motors. The presentation will highlight the potential opportunities for applying additive manufacturing to fabricate electric motors.

Design of compact dispersion interferometer with a high efficiency nonlinear crystal and a low power CO2 laser

NASA Astrophysics Data System (ADS)

Akiyama, T.; Yoshimura, S.; Tomita, K.; Shirai, N.; Murakami, T.; Urabe, K.

2017-12-01

When the electron density of a plasma generated in high pressure environment is measured by a conventional interferometer, the phase shifts due to changes of the neutral gas density cause significant measurement errors. A dispersion interferometer, which measures the phase shift that arises from dispersion of medium between the fundamental and the second harmonic wavelengths of laser light, can suppress the measured phase shift due to the variations of neutral gas density. In recent years, the CO2 laser dispersion interferometer has been applied to the atmospheric pressure plasmas and its feasibility has been demonstrated. By combining a low power laser and a high efficiency nonlinear crystal for the second harmonic component generation, a compact dispersion interferometer can be designed. The optical design and preliminary experiments are conducted.

Exchange-correlation approximations for reduced-density-matrix-functional theory at finite temperature: Capturing magnetic phase transitions in the homogeneous electron gas

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

Baldsiefen, Tim; Cangi, Attila; Eich, F. G.

Here, we derive an intrinsically temperature-dependent approximation to the correlation grand potential for many-electron systems in thermodynamical equilibrium in the context of finite-temperature reduced-density-matrix-functional theory (FT-RDMFT). We demonstrate its accuracy by calculating the magnetic phase diagram of the homogeneous electron gas. We compare it to known limits from highly accurate quantum Monte Carlo calculations as well as to phase diagrams obtained within existing exchange-correlation approximations from density functional theory and zero-temperature RDMFT.

Exchange-correlation approximations for reduced-density-matrix-functional theory at finite temperature: Capturing magnetic phase transitions in the homogeneous electron gas

DOE PAGES

Baldsiefen, Tim; Cangi, Attila; Eich, F. G.; ...

2017-12-18

Here, we derive an intrinsically temperature-dependent approximation to the correlation grand potential for many-electron systems in thermodynamical equilibrium in the context of finite-temperature reduced-density-matrix-functional theory (FT-RDMFT). We demonstrate its accuracy by calculating the magnetic phase diagram of the homogeneous electron gas. We compare it to known limits from highly accurate quantum Monte Carlo calculations as well as to phase diagrams obtained within existing exchange-correlation approximations from density functional theory and zero-temperature RDMFT.

Generalized thermodynamics of phase equilibria in scalar active matter

NASA Astrophysics Data System (ADS)

Solon, Alexandre P.; Stenhammar, Joakim; Cates, Michael E.; Kafri, Yariv; Tailleur, Julien

2018-02-01

Motility-induced phase separation (MIPS) arises generically in fluids of self-propelled particles when interactions lead to a kinetic slowdown at high densities. Starting from a continuum description of scalar active matter akin to a generalized Cahn-Hilliard equation, we give a general prescription for the mean densities of coexisting phases in flux-free steady states that amounts, at a hydrodynamics scale, to extremizing an effective free energy. We illustrate our approach on two well-known models: self-propelled particles interacting either through a density-dependent propulsion speed or via direct pairwise forces. Our theory accounts quantitatively for their phase diagrams, providing a unified description of MIPS.

Modeling of breakdown during the post-arc phase of a vacuum circuit breaker

NASA Astrophysics Data System (ADS)

Sarrailh, P.; Garrigues, L.; Boeuf, J. P.; Hagelaar, G. J. M.

2010-12-01

After a high-current interruption in a vacuum circuit breaker (VCB), the electrode gap is filled with a high density copper vapor plasma in a large copper vapor density (~1022 m-3). The copper vapor density is sustained by electrode evaporation. During the post-arc phase, a rapidly increasing voltage is applied to the gap, and a sheath forms and expands, expelling the plasma from the gap when circuit breaking is successful. There is, however, a risk of breakdown during that phase, leading to the failure of the VCB. Preventing breakdown during the post-arc phase is an important issue for the improvement of VCB reliability. In this paper, we analyze the risk of Townsend breakdown in the high copper vapor density during the post-arc phase using a numerical model that takes into account secondary electron emission, volume ionization, and plasma and neutral transport, for given electrode temperatures. The simulations show that fast neutrals created in the cathode sheath by charge exchange collisions with ions generate a very large secondary electron emission current that can lead to Townsend breakdown. The results also show that the risk of failure of the VCB due to Townsend breakdown strongly depends on the electrode temperatures (which govern the copper vapor density) and becomes important for temperatures greater than 2100 K, which can be reached in vacuum arcs. The simulations also predict that a hotter anode tends to increase the risk of Townsend breakdown.

Phase-measuring laser holographic interferometer for use in high speed flows

NASA Astrophysics Data System (ADS)

Yanta, William J.; Spring, W. Charles, III; Gross, Kimberly Uhrich; McArthur, J. Craig

Phase-measurement techniques have been applied to a dual-plate laser holographic interferometer (LHI). This interferometer has been used to determine the flowfield densities in a variety of two-dimensional and axisymmetric flows. In particular, LHI has been applied in three different experiments: flowfield measurements inside a two-dimensional scramjet inlet, flow over a blunt cone, and flow over an indented nose shape. Comparisons of experimentally determined densities with computational results indicate that, when phase-measurement techniques are used in conjunction with state-of-the-art image-processing instrumentation, holographic interferometry can be a diagnostic tool with high resolution, high accuracy, and rapid data retrieval.

Coupled Leidenfrost states as a monodisperse granular clock

NASA Astrophysics Data System (ADS)

Liu, Rui; Yang, Mingcheng; Chen, Ke; Hou, Meiying; To, Kiwing

2016-08-01

Using an event-driven molecular dynamics simulation, we show that simple monodisperse granular beads confined in coupled columns may oscillate as a different type of granular clock. To trigger this oscillation, the system needs to be driven against gravity into a density-inverted state, with a high-density clustering phase supported from below by a gaslike low-density phase (Leidenfrost effect) in each column. Our analysis reveals that the density-inverted structure and the relaxation dynamics between the phases can amplify any small asymmetry between the columns, and lead to a giant oscillation. The oscillation occurs only for an intermediate range of the coupling strength, and the corresponding phase diagram can be universally described with a characteristic height of the density-inverted structure. A minimal two-phase model is proposed and a linear stability analysis shows that the triggering mechanism of the oscillation can be explained as a switchable two-parameter Andronov-Hopf bifurcation. Numerical solutions of the model also reproduce similar oscillatory dynamics to the simulation results.

The relation between high-density and very-high-density amorphous ice.

PubMed

Loerting, Thomas; Salzmann, Christoph G; Winkel, Katrin; Mayer, Erwin

2006-06-28

The exact nature of the relationship between high-density (HDA) and very-high-density (VHDA) amorphous ice is unknown at present. Here we review the relation between HDA and VHDA, concentrating on experimental aspects and discuss these with respect to the relation between low-density amorphous ice (LDA) and HDA. On compressing LDA at 125 K up to 1.5 GPa, two distinct density steps are observable in the pressure-density curves which correspond to the LDA --> HDA and HDA --> VHDA conversion. This stepwise formation process LDA --> HDA --> VHDA at 125 K is the first unambiguous observation of a stepwise amorphous-amorphous-amorphous transformation sequence. Density values of amorphous ice obtained in situ between 0.3 and 1.9 GPa on isobaric heating up to the temperatures of crystallization show a pronounced change of slope at ca. 0.8 GPa which could indicate formation of a distinct phase. We infer that the relation between HDA and VHDA is very similar to that between LDA and HDA except for a higher activation barrier between the former. We further discuss the two options of thermodynamic phase transition versus kinetic densification for the HDA --> VHDA conversion.

Symmetry energy effects on the mixed hadron-quark phase at high baryon density

NASA Astrophysics Data System (ADS)

di Toro, M.; Liu, B.; Greco, V.; Baran, V.; Colonna, M.; Plumari, S.

2011-01-01

The phase transition of hadronic to quark matter at high baryon and isospin density is analyzed. Relativistic mean-field models are used to describe hadronic matter, and the MIT bag model is adopted for quark matter. The boundaries of the mixed phase and the related critical points for symmetric and asymmetric matter are obtained. Due to the different symmetry term in the two phases, isospin effects appear to be rather significant. With increasing isospin asymmetry the binodal transition line of the (T,ρB) diagram is lowered to a region accessible through heavy-ion collisions in the energy range of the new planned facilities (e.g., the FAIR/NICA projects). Some observable effects are suggested, in particular an isospin distillation mechanism with a more isospin asymmetric quark phase, to be seen in charged meson yield ratios, and an onset of quark number scaling of the meson-baryon elliptic flows. The presented isospin effects on the mixed phase appear to be robust with respect to even large variations of the poorly known symmetry term at high baryon density in the hadron phase. The dependence of the results on a suitable treatment of isospin contributions in effective QCD Lagrangian approaches, at the level of explicit isovector parts and/or quark condensates, is discussed.

The Compressed Baryonic Matter Experiment at FAIR

NASA Astrophysics Data System (ADS)

Senger, Peter

Substantial experimental and theoretical efforts worldwide are devoted to explore the phase diagram of strongly interacting matter. At top RHIC and LHC energies, the QCD phase diagram is studied at very high temperatures and very low net-baryon densities. These conditions presumably existed in the early universe about a microsecond after the big bang. For larger net-baryon densities and lower temperatures, it is expected that the QCD phase diagram exhibits a rich structure such as a critical point, a first order phase transition between hadronic and partonic matter, or new phases like quarkyonic matter. The experimental discovery of these prominent landmarks of the QCD phase diagram would be a major breakthrough in our understanding of the properties of nuclear matter. The Compressed Baryonic Matter (CBM) experiment will be one of the major scientific pillars of the future Facility for Antiproton and Ion Research (FAIR) in Darmstadt. The goal of the CBM research program is to explore the QCD phase diagram in the region of high baryon densities using high-energy nucleus-nucleus collisions. This includes the study of the equation-of-state of nuclear matter at neutron star core densities, and the search for the deconfinement and chiral phase transitions. The CBM detector is designed to measure rare diagnostic probes such as multi-strange hyperons, charmed particles and vector mesons decaying into lepton pairs with unprecedented precision and statistics. Most of these particles will be studied for the first time in the FAIR energy range. In order to achieve the required precision, the measurements will be performed at very high reaction rates of 100 kHz to 10 MHz. This requires very fast and radiation-hard detectors, and a novel data read-out and analysis concept based on free streaming front-end electronics and a high-performance computing cluster for online event selection. The layout, the physics performance, and the status of the proposed CBM experimental facility will be discussed.

Nucleation of ordered solid phases of proteins via a disordered high-density state: Phenomenological approach

NASA Astrophysics Data System (ADS)

Pan, Weichun; Kolomeisky, Anatoly B.; Vekilov, Peter G.

2005-05-01

Nucleation of ordered solid phases of proteins triggers numerous phenomena in laboratory, industry, and in healthy and sick organisms. Recent simulations and experiments with protein crystals suggest that the formation of an ordered crystalline nucleus is preceded by a disordered high-density cluster, akin to a droplet of high-density liquid that has been observed with some proteins; this mechanism allowed a qualitative explanation of recorded complex nucleation kinetics curves. Here, we present a simple phenomenological theory that takes into account intermediate high-density metastable states in the nucleation process. Nucleation rate data at varying temperature and protein concentration are reproduced with high fidelity using literature values of the thermodynamic and kinetic parameters of the system. Our calculations show that the growth rate of the near-critical and supercritical ordered clusters within the dense intermediate is a major factor for the overall nucleation rate. This highlights the role of viscosity within the dense intermediate for the formation of the ordered nucleus. The model provides an understanding of the action of additives that delay or accelerate nucleation and presents a framework within which the nucleation of other ordered protein solid phases, e.g., the sickle cell hemoglobin polymers, can be analyzed.

Distinct aggregation patterns and fluid porous phase in a 2D model for colloids with competitive interactions

NASA Astrophysics Data System (ADS)

Bordin, José Rafael

2018-04-01

In this paper we explore the self-assembly patterns in a two dimensional colloidal system using extensive Langevin Dynamics simulations. The pair potential proposed to model the competitive interaction have a short range length scale between first neighbors and a second characteristic length scale between third neighbors. We investigate how the temperature and colloidal density will affect the assembled morphologies. The potential shows aggregate patterns similar to observed in previous works, as clusters, stripes and porous phase. Nevertheless, we observe at high densities and temperatures a porous mesophase with a high mobility, which we name fluid porous phase, while at lower temperatures the porous structure is rigid. triangular packing was observed for the colloids and pores in both solid and fluid porous phases. Our results show that the porous structure is well defined for a large range of temperature and density, and that the fluid porous phase is a consequence of the competitive interaction and the random forces from the Langevin Dynamics.

Understanding phase stability of Al-Co-Cr-Fe-Ni high entropy alloys

DOE PAGES

Zhang, Chuan; Zhang, Fan; Diao, Haoyan; ...

2016-07-19

The concept of high entropy alloy (HEA) opens a vast unexplored composition range for alloy design. As a well-studied system, Al-Co-Cr-Fe-Ni has attracted tremendous amount of attention to develop new-generation low-density structural materials for automobile and aerospace applications. In spite of intensive investigations in the past few years, the phase stability within this HEA system is still poorly understood and needs to be clarified, which poses obstacles to the discovery of promising Al-Co-Cr-Fe-Ni HEAs. In the present work, the CALPHAD approach is employed to understand the phase stability and explore the phase transformation within the Al-Co-Cr-Fe-Ni system. As a result,more » the phase-stability mapping coupled with density contours is then constructed within the composition - temperature space, which provides useful guidelines for the design of low-density Al-Co-Cr-Fe-Ni HEAs with desirable properties.« less

Understanding phase stability of Al-Co-Cr-Fe-Ni high entropy alloys

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

Zhang, Chuan; Zhang, Fan; Diao, Haoyan

The concept of high entropy alloy (HEA) opens a vast unexplored composition range for alloy design. As a well-studied system, Al-Co-Cr-Fe-Ni has attracted tremendous amount of attention to develop new-generation low-density structural materials for automobile and aerospace applications. In spite of intensive investigations in the past few years, the phase stability within this HEA system is still poorly understood and needs to be clarified, which poses obstacles to the discovery of promising Al-Co-Cr-Fe-Ni HEAs. In the present work, the CALPHAD approach is employed to understand the phase stability and explore the phase transformation within the Al-Co-Cr-Fe-Ni system. As a result,more » the phase-stability mapping coupled with density contours is then constructed within the composition - temperature space, which provides useful guidelines for the design of low-density Al-Co-Cr-Fe-Ni HEAs with desirable properties.« less

Direct phase selection of initial phases from single-wavelength anomalous dispersion (SAD) for the improvement of electron density and ab initio structure determination.

PubMed

Chen, Chung-De; Huang, Yen-Chieh; Chiang, Hsin-Lin; Hsieh, Yin-Cheng; Guan, Hong-Hsiang; Chuankhayan, Phimonphan; Chen, Chun-Jung

2014-09-01

Optimization of the initial phasing has been a decisive factor in the success of the subsequent electron-density modification, model building and structure determination of biological macromolecules using the single-wavelength anomalous dispersion (SAD) method. Two possible phase solutions (φ1 and φ2) generated from two symmetric phase triangles in the Harker construction for the SAD method cause the well known phase ambiguity. A novel direct phase-selection method utilizing the θ(DS) list as a criterion to select optimized phases φ(am) from φ1 or φ2 of a subset of reflections with a high percentage of correct phases to replace the corresponding initial SAD phases φ(SAD) has been developed. Based on this work, reflections with an angle θ(DS) in the range 35-145° are selected for an optimized improvement, where θ(DS) is the angle between the initial phase φ(SAD) and a preliminary density-modification (DM) phase φ(DM)(NHL). The results show that utilizing the additional direct phase-selection step prior to simple solvent flattening without phase combination using existing DM programs, such as RESOLVE or DM from CCP4, significantly improves the final phases in terms of increased correlation coefficients of electron-density maps and diminished mean phase errors. With the improved phases and density maps from the direct phase-selection method, the completeness of residues of protein molecules built with main chains and side chains is enhanced for efficient structure determination.

The Lifetimes of Phases in High-mass Star-forming Regions

NASA Astrophysics Data System (ADS)

Battersby, Cara; Bally, John; Svoboda, Brian

2017-02-01

High-mass stars form within star clusters from dense, molecular regions (DMRs), but is the process of cluster formation slow and hydrostatic or quick and dynamic? We link the physical properties of high-mass star-forming regions with their evolutionary stage in a systematic way, using Herschel and Spitzer data. In order to produce a robust estimate of the relative lifetimes of these regions, we compare the fraction of DMRs above a column density associated with high-mass star formation, N(H2) > 0.4-2.5 × 1022 cm-2, in the “starless” (no signature of stars ≳10 {M}⊙ forming) and star-forming phases in a 2° × 2° region of the Galactic Plane centered at ℓ = 30°. Of regions capable of forming high-mass stars on ˜1 pc scales, the starless (or embedded beyond detection) phase occupies about 60%-70% of the DMR lifetime, and the star-forming phase occupies about 30%-40%. These relative lifetimes are robust over a wide range of thresholds. We outline a method by which relative lifetimes can be anchored to absolute lifetimes from large-scale surveys of methanol masers and UCHII regions. A simplistic application of this method estimates the absolute lifetime of the starless phase to be 0.2-1.7 Myr (about 0.6-4.1 fiducial cloud free-fall times) and the star-forming phase to be 0.1-0.7 Myr (about 0.4-2.4 free-fall times), but these are highly uncertain. This work uniquely investigates the star-forming nature of high column density gas pixel by pixel, and our results demonstrate that the majority of high column density gas is in a starless or embedded phase.

An x-ray backlit Talbot-Lau deflectometer for high-energy-density electron density diagnostics.

PubMed

Valdivia, M P; Stutman, D; Stoeckl, C; Theobald, W; Mileham, C; Begishev, I A; Bromage, J; Regan, S P

2016-02-01

X-ray phase-contrast techniques can measure electron density gradients in high-energy-density plasmas through refraction induced phase shifts. An 8 keV Talbot-Lau interferometer consisting of free standing ultrathin gratings was deployed at an ultra-short, high-intensity laser system using K-shell emission from a 1-30 J, 8 ps laser pulse focused on thin Cu foil targets. Grating survival was demonstrated for 30 J, 8 ps laser pulses. The first x-ray deflectometry images obtained under laser backlighting showed up to 25% image contrast and thus enabled detection of electron areal density gradients with a maximum value of 8.1 ± 0.5 × 10(23) cm(-3) in a low-Z millimeter sized sample. An electron density profile was obtained from refraction measurements with an error of <8%. The 50 ± 15 μm spatial resolution achieved across the full field of view was found to be limited by the x-ray source-size, similar to conventional radiography.

Conditions where random phase approximation becomes exact in the high-density limit

NASA Astrophysics Data System (ADS)

Morawetz, Klaus; Ashokan, Vinod; Bala, Renu; Pathak, Kare Narain

2018-04-01

It is shown that, in d -dimensional systems, the vertex corrections beyond the random phase approximation (RPA) or G W approximation scales with the power d -β -α of the Fermi momentum if the relation between Fermi energy and Fermi momentum is ɛf˜pfβ and the interacting potential possesses a momentum power law of ˜p-α . The condition d -β -α <0 specifies systems where RPA is exact in the high-density limit. The one-dimensional structure factor is found to be the interaction-free one in the high-density limit for contact interaction. A cancellation of RPA and vertex corrections render this result valid up to second order in contact interaction. For finite-range potentials of cylindrical wires a large-scale cancellation appears and is found to be independent of the width parameter of the wire. The proposed high-density expansion agrees with the quantum Monte Carlo simulations.

Tuning Phase Composition of Polymer Nanocomposites toward High Energy Density and High Discharge Efficiency by Nonequilibrium Processing.

PubMed

Jiang, Jianyong; Zhang, Xin; Dan, Zhenkang; Ma, Jing; Lin, Yuanhua; Li, Ming; Nan, Ce-Wen; Shen, Yang

2017-09-06

Polymer nanocomposite dielectrics with high energy density and low loss are major enablers for a number of applications in modern electronic and electrical industry. Conventional fabrication of nanocomposites by solution routes involves equilibrium process, which is slow and results in structural imperfections, hence high leakage current and compromised reliability of the nanocomposites. We propose and demonstrate that a nonequilibrium process, which synergistically integrates electrospinning, hot-pressing and thermal quenching, is capable of yielding nanocomposites of very high quality. In the nonequilibrium nanocomposites of poly(vinylidene fluoride-co-hexafluoropropylene) (P(VDF-HFP)) and BaTiO 3 nanoparticles (BTO_nps), an ultrahigh Weibull modulus β of ∼30 is achieved, which is comparable to the quality of the bench-mark biaxially oriented polypropylene (BOPP) fabricated with melt-extrusion process by much more sophisticated and expensive industrial apparatus. Favorable phase composition and small crystalline size are also induced by the nonequilibrium process, which leads to concomitant enhancement of electric displacement and breakdown strength of the nanocomposite hence a high energy density of ∼21 J/cm 3 . Study on the polarization behavior and phase transformation at high electric field indicates that BTO_nps could facilitate the phase transformation from α- to β-polymorph at low electric field.

A phase contrast imaging–interferometer system for detection of multiscale electron density fluctuations on DIII-D

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

Davis, E. M.; Rost, J. C.; Porkolab, M.

2016-11-15

Heterodyne interferometry and phase contrast imaging (PCI) are robust, mature techniques for measuring low-k and high-k electron density fluctuations, respectively. This work describes the first-ever implementation of a combined PCI–interferometer. The combined system uses a single 10.6 μm probe beam, two interference schemes, and two detectors to measure electron density fluctuations at large spatiotemporal bandwidth (10 kHz

Phase and vacancy behaviour of hard "slanted" cubes

NASA Astrophysics Data System (ADS)

van Damme, R.; van der Meer, B.; van den Broeke, J. J.; Smallenburg, F.; Filion, L.

2017-09-01

We use computer simulations to study the phase behaviour for hard, right rhombic prisms as a function of the angle of their rhombic face (the "slant" angle). More specifically, using a combination of event-driven molecular dynamics simulations, Monte Carlo simulations, and free-energy calculations, we determine and characterize the equilibrium phases formed by these particles for various slant angles and densities. Surprisingly, we find that the equilibrium crystal structure for a large range of slant angles and densities is the simple cubic crystal—despite the fact that the particles do not have cubic symmetry. Moreover, we find that the equilibrium vacancy concentration in this simple cubic phase is extremely high and depends only on the packing fraction and not the particle shape. At higher densities, a rhombic crystal appears as the equilibrium phase. We summarize the phase behaviour of this system by drawing a phase diagram in the slant angle-packing fraction plane.

Semiphenomenological model for gas-liquid phase transitions.

PubMed

Benilov, E S; Benilov, M S

2016-03-01

We examine a rarefied gas with inter-molecular attraction. It is argued that the attraction force amplifies random density fluctuations by pulling molecules from lower-density regions into high-density regions and thus may give rise to an instability. To describe this effect, we use a kinetic equation where the attraction force is taken into account in a way similar to how electromagnetic forces in plasma are treated in the Vlasov model. It is demonstrated that the instability occurs when the temperature T is lower than a certain threshold value T(s) depending on the gas density. It is further shown that, even if T is only marginally lower than T(s), the instability generates clusters with density much higher than that of the gas. These results suggest that the instability should be interpreted as a gas-liquid phase transition, with T(s) being the temperature of saturated vapor and the high-density clusters representing liquid droplets.

Imputation of missing genotypes from sparse to high density using long-range phasing

USDA-ARS?s Scientific Manuscript database

Related individuals share potentially long chromosome segments that trace to a common ancestor. A phasing algorithm (ChromoPhase) that utilizes this characteristic of finite populations was developed to phase large sections of a chromosome. In addition to phasing, ChromoPhase imputes missing genotyp...

Structural transitions and hysteresis in clump- and stripe-forming systems under dynamic compression.

PubMed

McDermott, Danielle; Olson Reichhardt, Cynthia J; Reichhardt, Charles

2016-11-28

Using numerical simulations, we study the dynamical evolution of particles interacting via competing long-range repulsion and short-range attraction in two dimensions. The particles are compressed using a time-dependent quasi-one dimensional trough potential that controls the local density, causing the system to undergo a series of structural phase transitions from a low density clump lattice to stripes, voids, and a high density uniform state. The compression proceeds via slow elastic motion that is interrupted with avalanche-like bursts of activity as the system collapses to progressively higher densities via plastic rearrangements. The plastic events vary in magnitude from small rearrangements of particles, including the formation of quadrupole-like defects, to large-scale vorticity and structural phase transitions. In the dense uniform phase, the system compresses through row reduction transitions mediated by a disorder-order process. We characterize the rearrangement events by measuring changes in the potential energy, the fraction of sixfold coordinated particles, the local density, and the velocity distribution. At high confinements, we find power law scaling of the velocity distribution during row reduction transitions. We observe hysteresis under a reversal of the compression when relatively few plastic rearrangements occur. The decompressing system exhibits distinct phase morphologies, and the phase transitions occur at lower compression forces as the system expands compared to when it is compressed.

Structural transitions and hysteresis in clump- and stripe-forming systems under dynamic compression

DOE PAGES

McDermott, Danielle; Olson Reichhardt, Cynthia J.; Reichhardt, Charles

2016-11-11

In using numerical simulations, we study the dynamical evolution of particles interacting via competing long-range repulsion and short-range attraction in two dimensions. The particles are compressed using a time-dependent quasi-one dimensional trough potential that controls the local density, causing the system to undergo a series of structural phase transitions from a low density clump lattice to stripes, voids, and a high density uniform state. The compression proceeds via slow elastic motion that is interrupted with avalanche-like bursts of activity as the system collapses to progressively higher densities via plastic rearrangements. The plastic events vary in magnitude from small rearrangements ofmore » particles, including the formation of quadrupole-like defects, to large-scale vorticity and structural phase transitions. In the dense uniform phase, the system compresses through row reduction transitions mediated by a disorder-order process. We also characterize the rearrangement events by measuring changes in the potential energy, the fraction of sixfold coordinated particles, the local density, and the velocity distribution. At high confinements, we find power law scaling of the velocity distribution during row reduction transitions. We observe hysteresis under a reversal of the compression when relatively few plastic rearrangements occur. The decompressing system exhibits distinct phase morphologies, and the phase transitions occur at lower compression forces as the system expands compared to when it is compressed.« less

Liquid-liquid phase transition in an ionic model of silica

NASA Astrophysics Data System (ADS)

Chen, Renjie; Lascaris, Erik; Palmer, Jeremy C.

2017-06-01

Recent equation of state calculations [E. Lascaris, Phys. Rev. Lett. 116, 125701 (2016)] for an ionic model of silica suggest that it undergoes a density-driven, liquid-liquid phase transition (LLPT) similar to the controversial transition hypothesized to exist in deeply supercooled water. Here, we perform extensive free energy calculations to scrutinize the model's low-temperature phase behavior and confirm the existence of a first-order phase transition between two liquids with identical compositions but different densities. The low-density liquid (LDL) exhibits tetrahedral order, which is partially disrupted in the high-density liquid (HDL) by the intrusion of additional particles into the primary neighbor shell. Histogram reweighting methods are applied to locate conditions of HDL-LDL coexistence and the liquid spinodals that bound the two-phase region. Spontaneous liquid-liquid phase separation is also observed directly in large-scale molecular dynamics simulations performed inside the predicted two-phase region. Given its clear LLPT, we anticipate that this model may serve as a paradigm for understanding whether similar transitions occur in water and other tetrahedral liquids.

Dense Carbon Monoxide to 160 GPa: Stepwise Polymerization to Two-Dimensional Layered Solid

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

Ryu, Young-Jay; Kim, Minseob; Lim, Jinhyuk

Carbon monoxide (CO) is the first molecular system found to transform into a nonmolecular “polymeric” solid above 5.5 GPa, yet been studied beyond 10 GPa. Here, we show a series of pressure-induced phase transformations in CO to 160 GPa: from a molecular solid to a highly colored, low-density polymeric phase I to translucent, high-density phase II to transparent, layered phase III. The properties of these phases are consistent with those expected from recently predicted 1D P2 1/m, 3D I2 12 12 1, and 2D Cmcm structures, respectively. Thus, the present results advocate a stepwise polymerization of CO triple bonds tomore » ultimately a 2D singly bonded layer structure with an enhanced ionic character.« less

High-carrier-density phase in LaTiO3/SrTiO3 superlattices

NASA Astrophysics Data System (ADS)

Park, Se Young; Rabe, Karin; Millis, Andrew

2015-03-01

We investigate superlattices composed of alternating layers of Mott insulating LaTiO3 and band insulating SrTiO3 from first principles, using the density functional theory plus U (DFT+U) method. For values of U above a critical threshold, we find that melting of the Mott-insulating phase can extend from the interface into the LaTiO3 layer, resulting in a sheet carrier density exceeding the density of 0.5 electrons per in-plane unit cell found in previous studies. The critical U for the melting transition is larger than the critical Coulomb correlation required for the insulating LaTiO3, suggesting the existence of a high sheet carrier density phase in LaTiO3/SrTiO3 superlattices. The effects of in-plane strain and varying layer thickness on the melting transition are discussed. For insulating superlattices, we study the strain and thickness dependence of the polarization and its relation to near-interface local atomic distortions. Support: DOE ER 046169, ONR N00014-11-0666.

Controlled phase stability of highly Na-active triclinic structure in nanoscale high-voltage Na2-2xCo1+xP2O7 cathode for Na-ion batteries

NASA Astrophysics Data System (ADS)

Song, Hee Jo; Kim, Jae-Chan; Dar, Mushtaq Ahmad; Kim, Dong-Wan

2018-02-01

With the increasing demand for high energy density in energy-storage systems, a high-voltage cathode is essential in rechargeable Li-ion and Na-ion batteries. The operating voltage of a triclinic-polymorph Na2CoP2O7, also known as the rose form, is above 4.0 V (vs. Na/Na+), which is relatively high compared to that of other cathode materials. Thus, it can be employed as a potential high-voltage cathode material in Na-ion batteries. However, it is difficult to synthesize a pure rose phase because of its low phase stability, thus limiting its use in high-voltage applications. Herein, compositional-engineered, rose-phase Na2-2xCo1+xP2O7/C (x = 0, 0.1 and 0.2) nanopowder are prepared using a wet-chemical method. The Na2-2xCo1+xP2O7/C cathode shows high electrochemical reactivity with Na ions at 4.0 V, delivering high capacity and high energy density.

Energy boost in laser wakefield accelerators using sharp density transitions

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

Döpp, A.; Guillaume, E.; Thaury, C.

The energy gain in laser wakefield accelerators is limited by dephasing between the driving laser pulse and the highly relativistic electrons in its wake. Since this phase depends on both the driver and the cavity length, the effects of dephasing can be mitigated with appropriate tailoring of the plasma density along propagation. Preceding studies have discussed the prospects of continuous phase-locking in the linear wakefield regime. However, most experiments are performed in the highly non-linear regime and rely on self-guiding of the laser pulse. Due to the complexity of the driver evolution in this regime, it is much more difficultmore » to achieve phase locking. As an alternative, we study the scenario of rapid rephasing in sharp density transitions, as was recently demonstrated experimentally. Starting from a phenomenological model, we deduce expressions for the electron energy gain in such density profiles. The results are in accordance with particle-in-cell simulations, and we present gain estimations for single and multiple stages of rephasing.« less

Energy storage options for space power

NASA Astrophysics Data System (ADS)

Hoffman, H. W.; Martin, J. F.; Olszewski, M.

Including energy storage in a space power supply enhances the feasibility of using thermal power cycles (Rankine or Brayton) and providing high-power pulses. Superconducting magnets, capacitors, electrochemical batteries, thermal phase-change materials (PCM), and flywheels are assessed; the results obtained suggest that flywheels and phase-change devices hold the most promise. Latent heat storage using inorganic salts and metallic eutectics offers thermal energy storage densities of 1500 kJ/kg to 2000 kJ/kg at temperatures to 1675 K. Innovative techniques allow these media to operate in direct contact with the heat engine working fluid. Enhancing thermal conductivity and/or modifying PCM crystallization habit provide other options. Flywheels of low-strain graphite and Kevlar fibers have achieved mechanical energy storage densities of 300 kJ/kg. With high-strain graphite fibers, storage densities appropriate to space power needs (about 500 kJ/kg) seem feasible. Coupling advanced flywheels with emerging high power density homopolar generators and compulsators could result in electric pulse-power storage modules of significantly higher energy density.

A multiple gap plasma cathode electron gun and its electron beam analysis in self and trigger breakdown modes.

PubMed

Kumar, Niraj; Pal, Dharmendra Kumar; Jadon, Arvind Singh; Pal, Udit Narayan; Rahaman, Hasibur; Prakash, Ram

2016-03-01

In the present paper, a pseudospark discharge based multiple gap plasma cathode electron gun is reported which has been operated separately in self and trigger breakdown modes using two different gases, namely, argon and hydrogen. The beam current and beam energy have been analyzed using a concentric ring diagnostic arrangement. Two distinct electron beams are clearly seen with hollow cathode and conductive phases. The hollow cathode phase has been observed for ∼50 ns where the obtained electron beam is having low beam current density and high energy. While in conductive phase it is high current density and low energy electron beam. It is inferred that in the hollow cathode phase the beam energy is more for the self breakdown case whereas the current density is more for the trigger breakdown case. The tailor made operation of the hollow cathode phase electron beam can play an important role in microwave generation. Up to 30% variation in the electron beam energy has been achieved keeping the same gas and by varying the breakdown mode operations. Also, up to 32% variation in the beam current density has been achieved for the trigger breakdown mode at optimized trigger position by varying the gas type.

A multiple gap plasma cathode electron gun and its electron beam analysis in self and trigger breakdown modes

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

Kumar, Niraj; Pal, Udit Narayan; Prakash, Ram

In the present paper, a pseudospark discharge based multiple gap plasma cathode electron gun is reported which has been operated separately in self and trigger breakdown modes using two different gases, namely, argon and hydrogen. The beam current and beam energy have been analyzed using a concentric ring diagnostic arrangement. Two distinct electron beams are clearly seen with hollow cathode and conductive phases. The hollow cathode phase has been observed for ∼50 ns where the obtained electron beam is having low beam current density and high energy. While in conductive phase it is high current density and low energy electronmore » beam. It is inferred that in the hollow cathode phase the beam energy is more for the self breakdown case whereas the current density is more for the trigger breakdown case. The tailor made operation of the hollow cathode phase electron beam can play an important role in microwave generation. Up to 30% variation in the electron beam energy has been achieved keeping the same gas and by varying the breakdown mode operations. Also, up to 32% variation in the beam current density has been achieved for the trigger breakdown mode at optimized trigger position by varying the gas type.« less

Intermediate scale plasma density irregularities in the polar ionosphere inferred from radio occultation

NASA Astrophysics Data System (ADS)

Shume, E. B.; Komjathy, A.; Langley, R. B.; Verkhoglyadova, O. P.; Butala, M.; Mannucci, A. J.

2014-12-01

In this research, we report intermediate scale plasma density irregularities in the high-latitude ionosphere inferred from high-resolution radio occultation (RO) measurements in the CASSIOPE (CAScade Smallsat and IOnospheric Polar Explorer) - GPS (Global Positioning System) satellites radio link. The high inclination of the CASSIOPE satellite and high rate of signal receptionby the occultation antenna of the GPS Attitude, Positioning and Profiling (GAP) instrument on the Enhanced Polar Outflow Probe platform on CASSIOPE enable a high temporal and spatial resolution investigation of the dynamics of the polar ionosphere, magnetosphere-ionospherecoupling, solar wind effects, etc. with unprecedented details compared to that possible in the past. We have carried out high spatial resolution analysis in altitude and geomagnetic latitude of scintillation-producing plasma density irregularities in the polar ionosphere. Intermediate scale, scintillation-producing plasma density irregularities, which corresponds to 2 to 40 km spatial scales were inferred by applying multi-scale spectral analysis on the RO phase delay measurements. Using our multi-scale spectral analysis approach and Polar Operational Environmental Satellites (POES) and Defense Meteorological Satellite Program (DMSP) observations, we infer that the irregularity scales and phase scintillations have distinct features in the auroral oval and polar cap regions. In specific terms, we found that large length scales and and more intense phase scintillations are prevalent in the auroral oval compared to the polar cap region. Hence, the irregularity scales and phase scintillation characteristics are a function of the solar wind and the magnetospheric forcing. Multi-scale analysis may become a powerful diagnostic tool for characterizing how the ionosphere is dynamically driven by these factors.

First-principles study of the amorphous In3SbTe2 phase change compound

NASA Astrophysics Data System (ADS)

Los, Jan H.; Kühne, Thomas D.; Gabardi, Silvia; Bernasconi, Marco

2013-11-01

Ab initio molecular dynamics simulations based on density functional theory were performed to generate amorphous models of the phase change compound In3SbTe2 by quenching from the melt. In-Sb and In-Te are the most abundant bonds with only a minor fraction of Sb-Te bonds. The bonding geometry in the amorphous phase is, however, strongly dependent on the density in the range 6.448-5.75 g/cm3 that we investigated. While at high density the bonding geometry of In atoms is mostly octahedral-like as in the cubic crystalline phase of the ternary compound In3SbTe2, at low density we observed a sizable fraction of tetrahedral-like geometries similar to those present in the crystalline phase of the two binary compounds InTe and InSb that the ternary system can be thought to be made of. We show that the different ratio between octahedral-like and tetrahedral-like bonding geometries has fingerprints in the optical and vibrational spectra.

Characterization of forced response of density stratified reacting wake

NASA Astrophysics Data System (ADS)

Pawar, Samadhan A.; Sujith, Raman I.; Emerson, Benjamin; Lieuwen, Tim

2018-02-01

The hydrodynamic stability of a reacting wake depends primarily on the density ratio [i.e., ratio of unburnt gas density (ρu) to burnt gas density (ρb)] of the flow across the wake. The variation of the density ratio from high to low value, keeping ρ u / ρ b > 1 , transitions dynamical characteristics of the reacting wake from a linearly globally stable (or convectively unstable) to a globally unstable mode. In this paper, we propose a framework to analyze the effect of harmonic forcing on the deterministic and synchronization characteristics of reacting wakes. Using the recurrence quantification analysis of the forced wake response, we show that the deterministic behaviour of the reacting wake increases as the amplitude of forcing is increased. Furthermore, for different density ratios, we found that the synchronization of the top and bottom branches of the wake with the forcing signal is dependent on whether the mean frequency of the natural oscillations of the wake (fn) is lesser or greater than the frequency of external forcing (ff). We notice that the response of both branches (top and bottom) of the reacting wake to the external forcing is asymmetric and symmetric for the low and high density ratios, respectively. Furthermore, we characterize the phase-locking behaviour between the top and bottom branches of the wake for different values of density ratios. We observe that an increase in the density ratio results in a gradual decrease in the relative phase angle between the top and bottom branches of the wake, which leads to a change in the vortex shedding pattern from a sinuous (anti-phase) to a varicose (in-phase) mode of the oscillations.

Density-of-state oscillation of quasiparticle excitation in the spin density wave phase of (TMTSF)2ClO4.

PubMed

Uji, S; Kimata, M; Moriyama, S; Yamada, J; Graf, D; Brooks, J S

2010-12-31

Systematic measurements of the magnetocaloric effect, heat capacity, and magnetic torque under a high magnetic field up to 35 T are performed in the spin density wave (SDW) phase of a quasi-one-dimensional organic conductor (TMTSF)2ClO4. In the SDW phase above 26 T, where the quantum Hall effect is broken, rapid oscillations (ROs) in these thermodynamic quantities are observed, which provides clear evidence of the density-of-state (DOS) oscillation near the Fermi level. The resistance is semiconducting and the heat capacity divided by temperature is extrapolated to zero at 0 K in the SDW phase, showing that all the energy bands are gapped, and there is no DOS at the Fermi level. The results show that the ROs are ascribed to the DOS oscillation of the quasiparticle excitation.

Structural, electronic and vibrational properties of lanthanide monophosphide at high pressure

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

Panchal, J. M., E-mail: amitjignesh@yahoo.co.in; Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat; Joshi, Mitesh

2016-05-06

A first-principles plane wave self-consistent method with the ultra-soft-pseudopotential scheme in the framework of the density functional theory (DFT) is performed to study structural, electronic and vibrational properties of LaP for Rock-salt (NaCl/Bl) and Cesium-chloride (CsCl/B2) phases. The instability of Rock-salt (NaCl/Bl) phases around the transition is discussed. Conclusions based on electronic energy band structure, density of state, phonon dispersion and phonon density of states in both phases are outlined. The calculated results are consistence and confirm the successful applicability of quasi-harmonic phonon theory for structural instability studies for the alloys.

Diffraction enhance x-ray imaging for quantitative phase contrast studies

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

Agrawal, A. K.; Singh, B., E-mail: balwants@rrcat.gov.in; Kashyap, Y. S.

2016-05-23

Conventional X-ray imaging based on absorption contrast permits limited visibility of feature having small density and thickness variations. For imaging of weakly absorbing material or materials possessing similar densities, a novel phase contrast imaging techniques called diffraction enhanced imaging has been designed and developed at imaging beamline Indus-2 RRCAT Indore. The technique provides improved visibility of the interfaces and show high contrast in the image forsmall density or thickness gradients in the bulk. This paper presents basic principle, instrumentation and analysis methods for this technique. Initial results of quantitative phase retrieval carried out on various samples have also been presented.

An x-ray backlit Talbot-Lau deflectometer for high-energy-density electron density diagnostics

DOE PAGES

Valdivia, M. P.; Stutman, D.; Stoeckl, C.; ...

2016-02-10

X-ray phase-contrast techniques can measure electron density gradients in high-energy-density plasmas through refraction induced phase shifts. An 8 keV Talbot-Lau interferometer consisting of free standing ultrathin gratings was deployed at an ultra-short, high-intensity laser system using K-shell emission from a 1-30 J, 8 ps laser pulse focused on thin Cu foil targets. Grating survival was demonstrated for 30 J, 8 ps laser pulses. The first x-ray deflectometry images obtained under laser backlighting showed up to 25% image contrast and thus enabled detection of electron areal density gradients with a maximum value of 8.1 ± 0.5 × 10 23 cm ₋3more » in a low-Z millimeter sized sample. An electron density profile was obtained from refraction measurements with an error of <8%. We found the 50 ± 15 μm spatial resolution achieved across the full field of view was limited by the x-ray source-size, similar to conventional radiography.« less

Gravity dual of spin and charge density waves

NASA Astrophysics Data System (ADS)

Jokela, Niko; Järvinen, Matti; Lippert, Matthew

2014-12-01

At high enough charge density, the homogeneous state of the D3-D7' model is unstable to fluctuations at nonzero momentum. We investigate the end point of this instability, finding a spatially modulated ground state, which is a charge and spin density wave. We analyze the phase structure of the model as a function of chemical potential and magnetic field and find the phase transition from the homogeneous state to be first order, with a second-order critical point at zero magnetic field.

Sb7Te3/Ge multilayer films for low power and high speed phase-change memory

NASA Astrophysics Data System (ADS)

Chen, Shiyu; Wu, Weihua; Zhai, Jiwei; Song, Sannian; Song, Zhitang

2017-06-01

Phase-change memory has attracted enormous attention for its excellent properties as compared to flash memories due to their high speed, high density, better date retention and low power consumption. Here we present Sb7Te3/Ge multilayer films by using a magnetron sputtering method. The 10 years’ data retention temperature is significantly increased compared with pure Sb7Te3. When the annealing temperature is above 250 °C, the Sb7Te3/Ge multilayer thin films have better interface properties, which renders faster crystallization speed and high thermal stability. The decrease in density of ST/Ge multilayer films is only around 5%, which is very suitable for phase change materials. Moreover, the low RESET power benefits from high resistivity and better thermal stability in the PCM cells. This work demonstrates that the multilayer configuration thin films with tailored properties are beneficial for improving the stability and speed in phase change memory applications.

Field-induced spin-density-wave phases in (TMTSF)2 Cl O4 at high magnetic field: Effect of anion ordering

NASA Astrophysics Data System (ADS)

Haddad, S.; Charfi-Kaddour, S.; Héritier, M.; Bennaceur, R.

2005-08-01

We study the high magnetic field-induced spin-density-wave (FISDW) phases of the relaxed (TMTSF)2ClO4 salt. Due to an orientational ordering of the ClO4 anions, a gap opens at the Fermi surface leading to a two band energy spectrum. We go through the different experimental and theoretical results related to the high field regime of the (TMTSF)2ClO4 phase diagram. We show that, in spite of intensive studies, this phase diagram is still the subject of controversies. We then tackle the issue of analyzing the exotic features of the high field spin-density-wave (SDW) phases. Based on a mean field theory and a renormalization group method, we study the consequences of anion ordering on the stability of the FISFW phases. We show that the presence of a two pairs of Fermi surface gives rise to two types of competing SDW phases. One is due to a single interband nesting process, as in a one band model, while the second originates from two intraband nesting vectors. The latter, for which we derive a generalized instability criterion, has the highest metal-SDW transition temperature and is described by two coexisting order parameters. As the temperature decreases, this coexistence puts at disadvantage the corresponding phase. Eventually, a first order transition takes place to a second SDW phase characterized by a single nesting vector and which appears inside the first one. Within the proposed model, we are able to label the different SDW phases with definite quantum numbers N related to the quantum Hall effect. We argue that the first SDW phase is nothing but the N=0 state whereas the inner phase is the N=1 state. The obtained results are consistent with recent experiments.

Viking S-band Doppler RMS phase fluctuations used to calibrate the mean 1976 equatorial corona

NASA Technical Reports Server (NTRS)

Berman, A. L.; Wackley, J. A.

1977-01-01

Viking S-band Doppler RMS phase fluctuations (noise) and comparisons of Viking Doppler noise to Viking differenced S-X range measurements are used to construct a mean equatorial electron density model for 1976. Using Pioneer Doppler noise results (at high heliographic latitudes, also from 1976), an equivalent nonequatorial electron density model is approximated.

Development of optics for x-ray phase-contrast imaging of high energy density plasmas.

PubMed

Stutman, D; Finkenthal, M; Moldovan, N

2010-10-01

Phase-contrast or refraction-enhanced x-ray radiography can be useful for the diagnostic of low-Z high energy density plasmas, such as imploding inertial confinement fusion (ICF) pellets, due to its sensitivity to density gradients. To separate and quantify the absorption and refraction contributions to x-ray images, methods based on microperiodic optics, such as shearing interferometry, can be used. To enable applying such methods with the energetic x rays needed for ICF radiography, we investigate a new type of optics consisting of grazing incidence microperiodic mirrors. Using such mirrors, efficient phase-contrast imaging systems could be built for energies up to ∼100 keV. In addition, a simple lithographic method is proposed for the production of the microperiodic x-ray mirrors based on the difference in the total reflection between a low-Z substrate and a high-Z film. Prototype mirrors fabricated with this method show promising characteristics in laboratory tests.

Population-regulating processes during the adult phase in flatfish

NASA Astrophysics Data System (ADS)

Rijnsdorp, A. D.

Flatfish support major fisheries and the study of regulatory processes are of paramount importance for evaluating the resilience of the resource to exploitation. This paper reviews the evidence for processes operating during the adult phase that may 1. generate interannual variability in recruitment; 2. contribute to population regulation through density-dependent growth, density-dependent ripening of adults and density-dependent egg production. With regard to (1), there is evidence that in the adult phase processes do occur that may generate recruitment variability through variation in size-specific fecundity, contraction of spawning season, reduction in egg quality, change in sex ratio and size composition of the adult population. However, time series of recruitment do not provide support for this hypothesis. With regard to (2), there is ample evidence that exploitation of flatfish coincides with an increase in growth, although the mechanisms involved are not always clear. The presence of density-dependent growth in the adult phase of unexploited populations appears to be the most likely explanation in some cases. From the early years of exploitation of flatfish stocks inhabiting cold waters, evidence exists that adult fish do not spawn each year. Fecundity schedules show annual variations, but the available information suggests that size-specific fecundity is stable over a broad range of population abundance and may only decrease at high population abundance. The analysis is complicated by the possibility of a trade-off between egg numbers and egg size. Nevertheless, a density-dependent decrease in growth will automatically result in a decrease in absolute fecundity because of the reduced body size. The potential contribution of these regulatory effects on population regulation is explored. Results indicate that density-dependent ripening and absolute fecundity, mediated through density-dependent growth, may control recruitment at high levels of population abundance. The effect of a density-dependent decrease in size-specific fecundity seems to play a minor role, although this role may become important at extremely high levels of population abundance.

Ionic conduction in sodium azide under high pressure: Experimental and theoretical approaches

NASA Astrophysics Data System (ADS)

Wang, Qinglin; Ma, Yanzhang; Sang, Dandan; Wang, Xiaoli; Liu, Cailong; Hu, Haiquan; Wang, Wenjun; Zhang, Bingyuan; Fan, Quli; Han, Yonghao; Gao, Chunxiao

2018-04-01

Alkali metal azides can be used as starting materials for the synthesis of polymeric nitrogen, a potential material of high energy density. In this letter, we report the ionic transport behavior in sodium azide under high pressure by in situ impedance spectroscopy and density functional theory calculations. The ionic transportation consists of ion transfer and Warburg diffusion processes. The ionic migration channels and barrier energy were given for the high-pressure phases. The enhanced ionic conductivity of the γ phase with pressure is because of the formation of space charge regions in the grain boundaries. This ionic conduction and grain boundary effect in NaN3 under pressures could shed light on the better understanding of the conduction mechanism of alkali azides and open up an area of research for polymeric nitrogen in these compounds and other high-energy-density polynitrides.

The influence of temperature induced phase transition on the energy storage density of anti-ferroelectric ceramics

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

Yi, Jinqiao; Zhang, Ling; Xie, Bing

2015-09-28

Anti-ferroelectric (AFE) composite ceramics of (Pb{sub 0.858}Ba{sub 0.1}La{sub 0.02}Y{sub 0.008})(Zr{sub 0.65}Sn{sub 0.3}Ti{sub 0.05})O{sub 3}-(Pb{sub 0.97}La{sub 0.02})(Zr{sub 0.9}Sn{sub 0.05} Ti{sub 0.05})O{sub 3} (PBLYZST-PLZST) were fabricated by the conventional solid-state sintering process (CS), the glass-aided sintering (GAS), and the spark plasma sintering (SPS), respectively. The influence of the temperature induced phase transition on the phase structure, hysteresis loops, and energy storage properties of the composite ceramics were investigated in detail. The measured results of X-ray diffraction demonstrate that the composite ceramics exhibit the perovskite phases and small amounts of non-functional pyrochlore phases. Compared with the CS process, the GAS and SPS processesmore » are proven more helpful to suppress the diffusion behaviors between the PBLYZST and PLZST phases according to the field emission scanning electron microscopy, thereby being able to improve the contribution of PBLYZST phase to the temperature stability of the orthogonal AFE phase. When the ambient temperature rises from 25 °C to 125 °C, CS and GAS samples have undergone a phase transition from orthorhombic AFE phase to tetragonal AFE phase, which results in a sharp decline in the energy storage density. However, the phase transition temperature of SPS samples is higher than 125 °C, and the energy storage density only slightly decreases due to the disorder of material microstructure caused by the high temperature. As a result, the SPS composite ceramics obtain a recoverable high energy storage density of 6.46 J/cm{sup 3} and the excellent temperature stability of the energy storage density of 1.16 × 10{sup −2} J/°C·cm{sup 3}, which is 1.29 × 10{sup −2} J/°C·cm{sup 3} lower than that of CS samples and about 0.43 times as that of GAS samples.« less

Peaks in Phase Space Density: A Survey of the Van Allen Probes Era

NASA Astrophysics Data System (ADS)

Boyd, A. J.; Turner, D. L.; Reeves, G. D.; Spence, H. E.

2017-12-01

One of the challenges of radiation belt studies is the differentiation between acceleration mechanisms, particularly local acceleration and radial diffusion. This is often done through careful examination of phase space density profiles in terms of adiabatic coordinates. In particular, local acceleration processes produce growing peaks in phase space density. Many previous studies have shown clear observations of these features for individual events. However, it remains unclear how often and where these growing peaks are observed over a long time period. With the availability of several years of high quality observations from multiple spacecraft, we now have an opportunity to quantify phase space density profiles not only for multiple events, but also across a wide range of energies. In this study, we examine phase space density from more than four years of data from the Van Allen Probes and THEMIS to determine the statistical properties of the observed peaks in phase space density. First, we determine how often growing peaks are observed. Second, we examine where the peaks are located in terms of the adiabatic invariants mu, K and L* and how these locations relate to geomagnetic indices, solar wind conditions and the plasmapause location. Third, we explore how these peaks evolve in time. Together, these results will reveal the relative importance of different acceleration processes and how these affect the various electron populations within the radiation belt.

Nanometer-scale characterization of laser-driven plasmas, compression, shocks and phase transitions, by coherent small angle x-ray scattering

NASA Astrophysics Data System (ADS)

Kluge, Thomas

2015-11-01

Combining ultra-intense short-pulse and high-energy long-pulse lasers, with brilliant coherent hard X-ray FELs, such as the Helmholtz International Beamline for Extreme Fields (HIBEF) under construction at the HED Instrument of European XFEL, or MEC at LCLS, holds the promise to revolutionize our understanding of many High Energy Density Physics phenomena. Examples include the relativistic electron generation, transport, and bulk plasma response, and ionization dynamics and heating in relativistic laser-matter interactions, or the dynamics of laser-driven shocks, quasi-isentropic compression, and the kinetics of phase transitions at high pressure. A particularly promising new technique is the use of coherent X-ray diffraction to characterize electron density correlations, and by resonant scattering to characterize the distribution of specific charge-state ions, either on the ultrafast time scale of the laser interaction, or associated with hydrodynamic motion. As well one can image slight density changes arising from phase transitions inside of shock-compressed high pressure matter. The feasibility of coherent diffraction techniques in laser-driven matter will be discussed. including recent results from demonstration experiments at MEC. Among other things, very sharp density changes from laser-driven compression are observed, having an effective step width of 10 nm or smaller. This compares to a resolution of several hundred nm achievedpreviously with phase contrast imaging. and on behalf of HIBEF User Consortium, for the Helmholtz International Beamline for Extreme Fields at the European XFEL.

Simulation study on characteristics of long-range interaction in randomly asymmetric exclusion process

NASA Astrophysics Data System (ADS)

Zhao, Shi-Bo; Liu, Ming-Zhe; Yang, Lan-Ying

2015-04-01

In this paper we investigate the dynamics of an asymmetric exclusion process on a one-dimensional lattice with long-range hopping and random update via Monte Carlo simulations theoretically. Particles in the model will firstly try to hop over successive unoccupied sites with a probability q, which is different from previous exclusion process models. The probability q may represent the random access of particles. Numerical simulations for stationary particle currents, density profiles, and phase diagrams are obtained. There are three possible stationary phases: the low density (LD) phase, high density (HD) phase, and maximal current (MC) in the system, respectively. Interestingly, bulk density in the LD phase tends to zero, while the MC phase is governed by α, β, and q. The HD phase is nearly the same as the normal TASEP, determined by exit rate β. Theoretical analysis is in good agreement with simulation results. The proposed model may provide a better understanding of random interaction dynamics in complex systems. Project supported by the National Natural Science Foundation of China (Grant Nos. 41274109 and 11104022), the Fund for Sichuan Youth Science and Technology Innovation Research Team (Grant No. 2011JTD0013), and the Creative Team Program of Chengdu University of Technology.

Study of the hard-disk system at high densities: the fluid-hexatic phase transition.

PubMed

Mier-Y-Terán, Luis; Machorro-Martínez, Brian Ignacio; Chapela, Gustavo A; Del Río, Fernando

2018-06-21

Integral equations of uniform fluids have been considered unable to predict any characteristic feature of the fluid-solid phase transition, including the shoulder that arises in the second peak of the fluid-phase radial distribution function, RDF, of hard-core systems obtained by computer simulations, at fluid densities very close to the structural two-step phase transition. This reasoning is based on the results of traditional integral approximations, like Percus-Yevick, PY, which does not show such a shoulder in hard-core systems, neither in two nor three dimensions. In this work, we present results of three Ansätze, based on the PY theory, that were proposed to remedy the lack of PY analytical solutions in two dimensions. This comparative study shows that one of those Ansätze does develop a shoulder in the second peak of the RDF at densities very close to the phase transition, qualitatively describing this feature. Since the shoulder grows into a peak at still higher densities, this integral equation approach predicts the appearance of an orientational order characteristic of the hexatic phase in a continuous fluid-hexatic phase transition.

A Membrane-Free Ferrocene-Based High-Rate Semiliquid Battery.

PubMed

Ding, Yu; Zhao, Yu; Yu, Guihua

2015-06-10

We report here a ferrocene-based membrane-free, high-rate semiliquid battery that takes advantage of a highly soluble ferrocene/ferrocenium redox couple in nonaqueous phase. The designed battery exhibits stable capacity retention up to 94% of theoretical capacity of ferrocene (145 mAh g(-1)) at a broad current rate up to 60 C owing to rapid mass transport in a liquid phase and fast redox kinetics. The diffusion coefficient and the standard reaction constant are determined to be in the order of 10(-6) cm(2) s(-1) and 10(-1) cm s(-1), respectively, orders of magnitude greater than those in a solid-phase electrode and those in conventional redox flow batteries. Additionally, the battery demonstrates power density and energy density exceeding 1400 W L(-1) and 40 Wh L(-1), respectively, and stable cyclability with capacity retention of ∼80% for 500 cycles. Compared with state-of-the-art energy storage technologies such as Li-ion batteries or conventional redox flow batteries, the proposed liquid battery shows the potential to be an efficient energy storage system with exceptionally high power and reasonable energy density.

High quality InP-on-Si for solar cell applications

NASA Technical Reports Server (NTRS)

Shellenbarger, Zane A.; Goodwin, Thomas A.; Collins, Sandra R.; Dinetta, Louis C.

1994-01-01

InP on Si solar cells combine the low-cost and high-strength of Si with the high efficiency and radiation tolerance of InP. The main obstacle in the growth of single crystal InP-on-Si is the high residual strain and high dislocation density of the heteroepitaxial InP films. The dislocations result from the large differences in lattice constant and thermal expansion mismatch of InP and Si. Adjusting the size and geometry of the growth area is one possible method of addressing this problem. In this work, we conducted a material quality study of liquid phase epitaxy overgrowth layers on selective area InP grown by a proprietary vapor phase epitaxy technique on Si. The relationship between growth area and dislocation density was quantified using etch pit density measurements. Material quality of the InP on Si improved both with reduced growth area and increased aspect ratio (length/width) of the selective area. Areas with etch pit density as low as 1.6 x 10(exp 4) sq cm were obtained. Assuming dislocation density is an order of magnitude greater than etch pit density, solar cells made with this material could achieve the maximum theoretical efficiency of 23% at AMO. Etch pit density dependence on the orientation of the selective areas on the substrate was also studied.

Direct observations of L-I-H and H-I-L transitions with the X-point reciprocating probe in ASDEX Upgrade

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

Müller, S. H.; Conway, G. D.; Birkenmeier, G.

A reciprocating Langmuir probe was used to directly measure the behavior of turbulence and flows in the X-point region during transitions between low-(L) and high-confinement (H) mode in ASDEX Upgrade. The probe traverses the divertor horizontally in 140 ms, typically 2–5 cm below the X-point. Toroidal Mach number, density, floating potential (ϕ{sub f}), and electron temperature (T{sub e}) are measured. In the regime accessible to the probe (P{sub inj}<1.5 MW, line-integrated core density <4×10{sup 19} m{sup −2}), the L-H transition features an intermediate phase (I-phase), characterized by limit-cycle oscillations at 0.5–3 kHz [Conway et al., Phys. Rev. Lett. 106, 065001 (2011)]. The probe measurements revealmore » that this pulsing affects both the density and the toroidal Mach number. It is present in both the low-(LFS) and high-field sides (HFS) of the scrape-off layer, while high-amplitude broadband turbulence usually dominates the private-flux region. Profile comparisons between L-mode and I-phase show lower density in pulsing regions and small shifts in T{sub e}, directed oppositely on LFS and HFS, which are compensated by shifts in ϕ{sub f} to yield a surprisingly unchanged plasma potential profile. Directly observed L-I-phase transitions reveal that the onset of the pulsing is preceded by a fast 50% density drop in the HFS X-point region. Back transitions to L-mode occur essentially symmetrically, with the pulsing stopping first, followed by a fast recovery to L-mode density levels in the divertor.« less

Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice.

PubMed

Giovambattista, Nicolas; Sciortino, Francesco; Starr, Francis W; Poole, Peter H

2016-12-14

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice

NASA Astrophysics Data System (ADS)

Giovambattista, Nicolas; Sciortino, Francesco; Starr, Francis W.; Poole, Peter H.

2016-12-01

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

γ-Heptalactone is an endogenously produced quorum-sensing molecule regulating growth and secondary metabolite production by Aspergillus nidulans.

PubMed

Williams, Headley E; Steele, Jonathan C P; Clements, Mark O; Keshavarz, Tajalli

2012-11-01

Microbes monitor their population density through a mechanism termed quorum sensing. It is believed that quorum-sensing molecules diffuse from the microbial cells and circulate in the surrounding environment as a function of cell density. When these molecules reach a threshold concentration, the gene expression of the entire population is altered in a coordinated manner. This work provides evidence that Aspergillus nidulans produces at least one small diffusible molecule during its growth cycle which accumulates at high cell density and alters the organism's behaviour. When added to low-density cell cultures, ethyl acetate extracts from stationary phase culture supernatants of A. nidulans resulted in the abolition of the lag phase, induced an earlier deceleration phase with 16.3 % decrease in the final cell dry weight and resulted in a 37.8 % increase in the expression of ipnA::lacZ reporter gene construct, which was used as a marker for penicillin production compared to non-treated controls. The bioactive molecule present in the stationary phase extract was purified to homogeneity and was identified by liquid chromatography-mass spectrometry and nuclear magnetic resonance spectroscopy to be γ-heptalactone. This study provides the first evidence that A. nidulans produces γ-heptalactone at a high cell density and it can alter the organism's behaviour at a low cell density. γ-Heptalactone hence acts as a quorum-sensing molecule in the producing strain.

Charged Particles on Surfaces: Coexistence of Dilute Phases and Periodic Structures at Interfaces

NASA Astrophysics Data System (ADS)

Loverde, Sharon M.; Solis, Francisco J.; Olvera de La Cruz, Monica

2007-06-01

We consider a mixture of two immiscible oppositely charged molecules strongly adsorbed to an interface, with a neutral nonselective molecular background. We determine the coexistence between a high density ionic periodic phase and a dilute isotropic ionic phase. We use a strong segregation approach for the periodic phase and determine the one-loop free energy for the dilute phase. Lamellar and hexagonal patterns are calculated for different charge stoichiometries of the mixture. Molecular dynamics simulations exhibit the predicted phase behavior. The periodic length scale of the solid phase is found to scale as ɛ/(lBψ3/2), where ψ is the effective charge density, lB is the Bjerrum length, and ɛ is the cohesive energy.

Magnetic flux density measurement with balanced steady state free precession pulse sequence for MREIT: a simulation study.

PubMed

Minhas, Atul S; Woo, Eung Je; Lee, Soo Yeol

2009-01-01

Magnetic Resonance Electrical Impedance Tomography (MREIT) utilizes the magnetic flux density B(z), generated due to current injection, to find conductivity distribution inside an object. This B(z) can be measured from MR phase images using spin echo pulse sequence. The SNR of B(z) and the sensitivity of phase produced by B(z) in MR phase image are critical in deciding the resolution of MREIT conductivity images. The conventional spin echo based data acquisition has poor phase sensitivity to current injection. Longer scan time is needed to acquire data with higher SNR. We propose a balanced steady state free precession (b-SSFP) based pulse sequence which is highly sensitive to small off-resonance phase changes. A procedure to reconstruct B(z) from MR signal obtained with b-SSFP sequence is described. Phases for b-SSFP signals for two conductivity phantoms of TX 151 and Gelatin are simulated from the mathematical models of b-SSFP signal. It was observed that the phase changes obtained from b-SSFP pulse sequence are highly sensitive to current injection and hence would produce higher magnetic flux density. However, the b-SSFP signal is dependent on magnetic field inhomogeneity and the signal deteriorated highly for small offset from resonance frequency. The simulation results show that the b-SSFP sequence can be utilized for conductivity imaging of a local region where magnetic field inhomogeneity is small. A proper shimming of magnet is recommended before using the b-SSFP sequence.

A High Power Density Single-Phase PWM Rectifier With Active Ripple Energy Storage

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

Wang, Ruxi; Wang, Fei; Boroyevich, Dushan

It is well known that single-phase pulse width modulation rectifiers have second-order harmonic currents and corresponding ripple voltages on the dc bus. The low-frequency harmonic current is normally filtered using a bulk capacitor in the bus, which results in low power density. However, pursuing high power density in converter design is a very important goal in the aerospace applications. This paper studies methods for reducing the energy storage capacitor for single-phase rectifiers. The minimum ripple energy storage requirement is derived independently of a specific topology. Based on theminimum ripple energy requirement, the feasibility of the active capacitor s reduction schemesmore » is verified. Then, we propose a bidirectional buck boost converter as the ripple energy storage circuit, which can effectively reduce the energy storage capacitance. The analysis and design are validated by simulation and experimental results.« less

Two-dimensional electron density characterisation of arc interruption phenomenon in current-zero phase

NASA Astrophysics Data System (ADS)

Inada, Yuki; Kamiya, Tomoki; Matsuoka, Shigeyasu; Kumada, Akiko; Ikeda, Hisatoshi; Hidaka, Kunihiko

2018-01-01

Two-dimensional electron density imaging over free burning SF6 arcs and SF6 gas-blast arcs was conducted at current zero using highly sensitive Shack-Hartmann type laser wavefront sensors in order to experimentally characterise electron density distributions for the success and failure of arc interruption in the thermal reignition phase. The experimental results under an interruption probability of 50% showed that free burning SF6 arcs with axially asymmetric electron density profiles were interrupted with a success rate of 88%. On the other hand, the current interruption of SF6 gas-blast arcs was reproducibly achieved under locally reduced electron densities and the interruption success rate was 100%.

Development of CO2 laser dispersion interferometer with photoelastic modulator

NASA Astrophysics Data System (ADS)

Akiyama, T.; Kawahata, K.; Okajima, S.; Nakayama, K.

2010-10-01

A dispersion interferometer is one of the promising methods of the electron density measurement on large and high density fusion devices. This paper describes development of a CO2 laser dispersion interferometer with a photoelastic modulator for phase modulation. In order to make the dispersion interferometer free from variations of the detected intensity, a new phase extraction method is introduced: The phase shift is evaluated from a ratio of amplitudes of the fundamental and the second harmonics of the phase modulation frequency in the detected interference signal. The proof-of-principle experiments demonstrate the feasibility of this method.

Development of CO2 laser dispersion interferometer with photoelastic modulator.

PubMed

Akiyama, T; Kawahata, K; Okajima, S; Nakayama, K

2010-10-01

A dispersion interferometer is one of the promising methods of the electron density measurement on large and high density fusion devices. This paper describes development of a CO(2) laser dispersion interferometer with a photoelastic modulator for phase modulation. In order to make the dispersion interferometer free from variations of the detected intensity, a new phase extraction method is introduced: The phase shift is evaluated from a ratio of amplitudes of the fundamental and the second harmonics of the phase modulation frequency in the detected interference signal. The proof-of-principle experiments demonstrate the feasibility of this method.

State diagram of magnetostatic coupling phase-locked spin-torque oscillators

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

Zhang, Mengwei; Wang, Longze; Wei, Dan, E-mail: weidan@mail.tsinghua.edu.cn

2015-05-07

The state diagram of magnetostatic coupling phase-locked spin torque oscillator (STO) with perpendicular reference layer and planar field generation layer (FGL) is studied by the macrospin model and the micromagnetic model. The state diagrams of current densities are calculated under various external fields. The simulation shows that there are two phase-lock current density regions. In the phase-locked STOs in low current region I, the spin configuration of FGL is uniform; in high current region II, the spin configuration of FGL is highly nonuniform. In addition, the results with different STOs separation L{sub s} are compared, and the coupling between twomore » STOs is largely decreased when L{sub s} is increased from 40 nm to 60 nm.« less

Numerical analysis of phase change materials for thermal control of power battery of high power dissipations

NASA Astrophysics Data System (ADS)

Xia, X.; Zhang, H. Y.; Deng, Y. C.

2016-08-01

Solid-fluid phase change materials have been of increasing interest in various applications due to their high latent heat with minimum volume change. In this work, numerical analysis of phase change materials is carried out for the purpose of thermal control of the cylindrical power battery cells for applications in electric vehicles. Uniform heat density is applied at the battery cell, which is surrounded by phase change material (PCM) of paraffin wax type and contained in a metal housing. A two-dimensional geometry model is considered due to the model symmetry. The effects of power densities, heat transfer coefficients and onset melting temperatures are examined for the battery temperature evolution. Temperature plateaus can be observed from the present numerical analysis for the pure PCM cases, with the temperature level depending on the power densities, heat transfer coefficients, and melting temperatures. In addition, the copper foam of high thermal conductivity is inserted into the copper foam to enhance the heat transfer. In the modeling, the local thermal non-equilibrium between the metal foam and the PCM is taken into account and the temperatures for the metal foam and PCM are obtained respectively.

Characterization of aqueous two phase systems by combining lab-on-a-chip technology with robotic liquid handling stations.

PubMed

Amrhein, Sven; Schwab, Marie-Luise; Hoffmann, Marc; Hubbuch, Jürgen

2014-11-07

Over the last decade, the use of design of experiment approaches in combination with fully automated high throughput (HTP) compatible screenings supported by robotic liquid handling stations (LHS), adequate fast analytics and data processing has been developed in the biopharmaceutical industry into a strategy of high throughput process development (HTPD) resulting in lower experimental effort, sample reduction and an overall higher degree of process optimization. Apart from HTP technologies, lab-on-a-chip technology has experienced an enormous growth in the last years and allows further reduction of sample consumption. A combination of LHS and lab-on-a-chip technology is highly desirable and realized in the present work to characterize aqueous two phase systems with respect to tie lines. In particular, a new high throughput compatible approach for the characterization of aqueous two phase systems regarding tie lines by exploiting differences in phase densities is presented. Densities were measured by a standalone micro fluidic liquid density sensor, which was integrated into a liquid handling station by means of a developed generic Tip2World interface. This combination of liquid handling stations and lab-on-a-chip technology enables fast, fully automated, and highly accurate density measurements. The presented approach was used to determine the phase diagram of ATPSs composed of potassium phosphate (pH 7) and polyethylene glycol (PEG) with a molecular weight of 300, 400, 600 and 1000 Da respectively in the presence and in the absence of 3% (w/w) sodium chloride. Considering the whole ATPS characterization process, two complete ATPSs could be characterized within 24h, including four runs per ATPS for binodal curve determination (less than 45 min/run), and tie line determination (less than 45 min/run for ATPS preparation and 8h for density determination), which can be performed fully automated over night without requiring man power. The presented methodology provides a cost, time and material effective approach for characterization of ATPS phase diagram on base on highly accurate and comprehensive data. By this means the derived data opens the door for a more detailed description of ATPS towards generating mechanistic based models, since molecular approaches such as MD simulations or molecular descriptions along the line of QSAR heavily rely on accurate and comprehensive data. Copyright © 2014 Elsevier B.V. All rights reserved.

Enhanced Densification of PM Steels by Liquid Phase Sintering with Boron-Containing Master Alloy

NASA Astrophysics Data System (ADS)

Vattur Sundaram, Maheswaran; Surreddi, Kumar Babu; Hryha, Eduard; Veiga, Angela; Berg, Sigurd; Castro, Fransisco; Nyborg, Lars

2018-01-01

Reaching high density in PM steels is important for high-performance applications. In this study, liquid phase sintering of PM steels by adding gas-atomized Ni-Mn-B master alloy was investigated for enhancing the density levels of Fe- and Mo- prealloyed steel powder compacts. The results indicated that liquid formation occurs in two stages, beginning with the master alloy melting (LP-1) below and eutectic phase formation (LP-2) above 1373 K (1100 °C). Mo and C addition revealed a significant influence on the LP-2 temperatures and hence on the final densification behavior and mechanical properties. Microstructural embrittlement occurs with the formation of continuous boride networks along the grain boundaries, and its severity increases with carbon addition, especially for 2.5 wt pct of master alloy content. Sintering behavior, along with liquid generation, microstructural characteristics, and mechanical testing revealed that the reduced master alloy content from 2.5 to 1.5 wt pct (reaching overall boron content from 0.2 to 0.12 wt pct) was necessary for obtaining good ductility with better mechanical properties. Sintering with Ni-Mn-B master alloy enables the sintering activation by liquid phase formation in two stages to attain high density in PM steels suitable for high-performance applications.

Magnetic field stabilized electron-hole liquid in indirect-band-gap A l x G a 1 - x As

DOE PAGES

Alberi, K.; Fluegel, B.; Crooker, S. A.; ...

2016-02-29

An electron-hole liquid (EHL), a condensed liquidlike phase of free electrons and holes in a semiconductor, presents a unique system for exploring quantum many-body phenomena. And while the behavior of EHLs is generally understood, less attention has been devoted to systematically varying the onset of their formation and resulting properties. Here, we report on an experimental approach to tune the conditions of formation and characteristics using a combination of low excitation densities and high magnetic fields up to 90 T. Demonstration of this approach was carried out in indirect-band-gap A l 0.387 G a 0.613 As . EHL droplets canmore » be nucleated from one of two multiexciton complex states depending on the applied excitation density. Furthermore, the excitation density influences the carrier density of the EHL at high magnetic fields, where filling of successive Landau levels can be controlled. The ability to manipulate the formation pathway, temperature, and carrier density of the EHL phase under otherwise fixed experimental conditions makes our approach a powerful tool for studying condensed carrier phases in further detail.« less

A compact frequency tunable radio frequency phase shifter with patterned Py enabled transmission line

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

Rahman, B.M. Farid; Divan, Ralu; Rosenmann, Daniel

2015-01-01

A well designed frequency tunable phase shifter using patterned Py with different thickness has been demonstrated. Phase shifter is implemented with a slow wave coplanar wave guide (CPW)transmission line, where the signal line has alternate short narrow and wide sections. Py is patterned on the top of narrow section for high inductance density, and inter-digital capacitor is implemented in wide section for high capacitance density. Compared with phase shifter using regular CPW, the dimension of the developed phase shifter has been reduced from 14.86 mm to4.70 mm at 2 GHz. Phase shifter based on 100 nm and 200 nm thickmore » patterned Py with the same dimensions (14lm10lm) are implemented and investigated comprehensively. FMR frequency of 3.2 GHz and 3.6 GHz without any external magnetic field has been achieved for100 nm and 200 nm thick Py film, respectively. Thicker Py has increased inductance density from 1067.2 nH/m to 1193.2 nH/m while the center frequency of the phase shifter has been shifted to 1.80 GHz. Frequency tunability of the phase shifter has been also demonstrated withDC current. The phase shifter can provide 90phase shift continuously from 2 GHz to 1.80 GHz with DC current from 0 mA to 150 mA. The design concept has great potential in design arbitrary tunable RF components such as filters and couplers.« less

Processing and properties of SiC whisker reinforced Si sub 3 N sub 4 ceramic matrix composites

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

Nunn, S.D.

1991-01-01

Silicon carbide whiskers reinforced silicon nitride ceramic matrix composites were pressureless sintered to high density by liquid phase sintering. Important processing parameters included: whisker dispersion by ultrasonic shear homogenization, particle refinement by attrition milling, pressure slip casting to obtain high greed densities, and sintering in a protective powder bed to limit decomposition. Composites with a {beta}20-Si{sub 3}N{sub 4} solid solution matrix containing 20 vol.% SiC whiskers were sintered to 98-100% theoretical density; composites having a Si{sub 3}N{sub 4} matrix containing YAG sintering aid were sintered to 98% of the theoretical density with 20 vol.% SiC whiskers, and 94% density withmore » 30 vol.% SiC whiskers. Analysis of the pressureless sintered composites revealed orientation of the SiC whiskers and the Si{sub 3}N{sub 4} matrix grains. The mechanical properties of hot pressed Si{sub 3}N{sub 4} composites reinforced with 20 vol.% SiC whiskers were shown to depend on the characteristics of the intergranular phase. Variations in the properties of the composites were analyzed in terms of the amount and morphology of the secondary phase, and the development of internal residual stresses due to the thermal expansion mismatch between the sintering aid phase at the grain boundaries.« less

Water: A Tale of Two Liquids.

PubMed

Gallo, Paola; Amann-Winkel, Katrin; Angell, Charles Austen; Anisimov, Mikhail Alexeevich; Caupin, Frédéric; Chakravarty, Charusita; Lascaris, Erik; Loerting, Thomas; Panagiotopoulos, Athanassios Zois; Russo, John; Sellberg, Jonas Alexander; Stanley, Harry Eugene; Tanaka, Hajime; Vega, Carlos; Xu, Limei; Pettersson, Lars Gunnar Moody

2016-07-13

Water is the most abundant liquid on earth and also the substance with the largest number of anomalies in its properties. It is a prerequisite for life and as such a most important subject of current research in chemical physics and physical chemistry. In spite of its simplicity as a liquid, it has an enormously rich phase diagram where different types of ices, amorphous phases, and anomalies disclose a path that points to unique thermodynamics of its supercooled liquid state that still hides many unraveled secrets. In this review we describe the behavior of water in the regime from ambient conditions to the deeply supercooled region. The review describes simulations and experiments on this anomalous liquid. Several scenarios have been proposed to explain the anomalous properties that become strongly enhanced in the supercooled region. Among those, the second critical-point scenario has been investigated extensively, and at present most experimental evidence point to this scenario. Starting from very low temperatures, a coexistence line between a high-density amorphous phase and a low-density amorphous phase would continue in a coexistence line between a high-density and a low-density liquid phase terminating in a liquid-liquid critical point, LLCP. On approaching this LLCP from the one-phase region, a crossover in thermodynamics and dynamics can be found. This is discussed based on a picture of a temperature-dependent balance between a high-density liquid and a low-density liquid favored by, respectively, entropy and enthalpy, leading to a consistent picture of the thermodynamics of bulk water. Ice nucleation is also discussed, since this is what severely impedes experimental investigation of the vicinity of the proposed LLCP. Experimental investigation of stretched water, i.e., water at negative pressure, gives access to a different regime of the complex water diagram. Different ways to inhibit crystallization through confinement and aqueous solutions are discussed through results from experiments and simulations using the most sophisticated and advanced techniques. These findings represent tiles of a global picture that still needs to be completed. Some of the possible experimental lines of research that are essential to complete this picture are explored.

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

Gallo, Paola; Amann-Winkel, Katrin; Angell, Charles Austen

Water is the most abundant liquid on earth and also the substance with the largest number of anomalies in its properties. It is a prerequisite for life and as such a most important subject of current research in chemical physics and physical chemistry. In spite of its simplicity as a liquid, it has an enormously rich phase diagram where different types of ices, amorphous phases, and anomalies disclose a path that points to unique thermodynamics of its supercooled liquid state that still hides many unraveled secrets. In this review we describe the behavior of water in the regime from ambientmore » conditions to the deeply supercooled region. The review describes simulations and experiments on this anomalous liquid. Several scenarios have been proposed to explain the anomalous properties that become strongly enhanced in the supercooled region. Among those, the second critical-point scenario has been investigated extensively, and at present most experimental evidence point to this scenario. Starting from very low temperatures, a coexistence line between a high-density amorphous phase and a low-density amorphous phase would continue in a coexistence line between a high-density and a low-density liquid phase terminating in a liquid–liquid critical point, LLCP. On approaching this LLCP from the one-phase region, a crossover in thermodynamics and dynamics can be found. This is discussed based on a picture of a temperature-dependent balance between a high-density liquid and a low-density liquid favored by, respectively, entropy and enthalpy, leading to a consistent picture of the thermodynamics of bulk water. Ice nucleation is also discussed, since this is what severely impedes experimental investigation of the vicinity of the proposed LLCP. Experimental investigation of stretched water, i.e., water at negative pressure, gives access to a different regime of the complex water diagram. Different ways to inhibit crystallization through confinement and aqueous solutions are discussed through results from experiments and simulations using the most sophisticated and advanced techniques. These findings represent tiles of a global picture that still needs to be completed. In conclusion, some of the possible experimental lines of research that are essential to complete this picture are explored.« less

Water: A Tale of Two Liquids

DOE PAGES

Gallo, Paola; Amann-Winkel, Katrin; Angell, Charles Austen; ...

2016-07-05

Water is the most abundant liquid on earth and also the substance with the largest number of anomalies in its properties. It is a prerequisite for life and as such a most important subject of current research in chemical physics and physical chemistry. In spite of its simplicity as a liquid, it has an enormously rich phase diagram where different types of ices, amorphous phases, and anomalies disclose a path that points to unique thermodynamics of its supercooled liquid state that still hides many unraveled secrets. In this review we describe the behavior of water in the regime from ambientmore » conditions to the deeply supercooled region. The review describes simulations and experiments on this anomalous liquid. Several scenarios have been proposed to explain the anomalous properties that become strongly enhanced in the supercooled region. Among those, the second critical-point scenario has been investigated extensively, and at present most experimental evidence point to this scenario. Starting from very low temperatures, a coexistence line between a high-density amorphous phase and a low-density amorphous phase would continue in a coexistence line between a high-density and a low-density liquid phase terminating in a liquid–liquid critical point, LLCP. On approaching this LLCP from the one-phase region, a crossover in thermodynamics and dynamics can be found. This is discussed based on a picture of a temperature-dependent balance between a high-density liquid and a low-density liquid favored by, respectively, entropy and enthalpy, leading to a consistent picture of the thermodynamics of bulk water. Ice nucleation is also discussed, since this is what severely impedes experimental investigation of the vicinity of the proposed LLCP. Experimental investigation of stretched water, i.e., water at negative pressure, gives access to a different regime of the complex water diagram. Different ways to inhibit crystallization through confinement and aqueous solutions are discussed through results from experiments and simulations using the most sophisticated and advanced techniques. These findings represent tiles of a global picture that still needs to be completed. In conclusion, some of the possible experimental lines of research that are essential to complete this picture are explored.« less

Water: A Tale of Two Liquids

PubMed Central

2016-01-01

Water is the most abundant liquid on earth and also the substance with the largest number of anomalies in its properties. It is a prerequisite for life and as such a most important subject of current research in chemical physics and physical chemistry. In spite of its simplicity as a liquid, it has an enormously rich phase diagram where different types of ices, amorphous phases, and anomalies disclose a path that points to unique thermodynamics of its supercooled liquid state that still hides many unraveled secrets. In this review we describe the behavior of water in the regime from ambient conditions to the deeply supercooled region. The review describes simulations and experiments on this anomalous liquid. Several scenarios have been proposed to explain the anomalous properties that become strongly enhanced in the supercooled region. Among those, the second critical-point scenario has been investigated extensively, and at present most experimental evidence point to this scenario. Starting from very low temperatures, a coexistence line between a high-density amorphous phase and a low-density amorphous phase would continue in a coexistence line between a high-density and a low-density liquid phase terminating in a liquid–liquid critical point, LLCP. On approaching this LLCP from the one-phase region, a crossover in thermodynamics and dynamics can be found. This is discussed based on a picture of a temperature-dependent balance between a high-density liquid and a low-density liquid favored by, respectively, entropy and enthalpy, leading to a consistent picture of the thermodynamics of bulk water. Ice nucleation is also discussed, since this is what severely impedes experimental investigation of the vicinity of the proposed LLCP. Experimental investigation of stretched water, i.e., water at negative pressure, gives access to a different regime of the complex water diagram. Different ways to inhibit crystallization through confinement and aqueous solutions are discussed through results from experiments and simulations using the most sophisticated and advanced techniques. These findings represent tiles of a global picture that still needs to be completed. Some of the possible experimental lines of research that are essential to complete this picture are explored. PMID:27380438

First principles study of LiAlO2: new dense monoclinic phase under high pressure

NASA Astrophysics Data System (ADS)

Liu, Guangtao; Liu, Hanyu

2018-03-01

In this work, we have systematically explored the crystal structures of LiAlO2 at high pressures using crystal structure prediction method in combination with the density functional theory calculations. Besides the reported α, β, γ, δ and ɛ-phases, here we propose a new monoclinic ζ-LiAlO2 (C2/m) structure, which becomes thermodynamically and dynamically stable above 27 GPa. It is found that the cation coordination number increases from 4 to 6 under compression. Consisting of the compact {LiO6} and {AlO6} octahedrons, the newly-discovered ζ-phase possesses a very high density. Further electronic calculations show that LiAlO2 is still an insulator up to 60 GPa, and its bandgap increases upon compression. The present study advances our understanding on the crystal structures and high-pressure phase transitions of LiAlO2 that may trigger applications in multiple areas of industry and provoke more related basic science research.

A mathematical model of the maximum power density attainable in an alkaline hydrogen/oxygen fuel cell

NASA Technical Reports Server (NTRS)

Kimble, Michael C.; White, Ralph E.

1991-01-01

A mathematical model of a hydrogen/oxygen alkaline fuel cell is presented that can be used to predict the polarization behavior under various power loads. The major limitations to achieving high power densities are indicated and methods to increase the maximum attainable power density are suggested. The alkaline fuel cell model describes the phenomena occurring in the solid, liquid, and gaseous phases of the anode, separator, and cathode regions based on porous electrode theory applied to three phases. Fundamental equations of chemical engineering that describe conservation of mass and charge, species transport, and kinetic phenomena are used to develop the model by treating all phases as a homogeneous continuum.

Computational studies on the crystal structure, thermodynamic properties, detonation performance, and pyrolysis mechanism of 2,4,6,8-tetranitro-1,3,5,7-tetraazacubane as a novel high energy density material.

PubMed

Wang, Fang; Du, Hongchen; Zhang, Jianying; Gong, Xuedong

2011-10-27

Studies have suggested that octanitrocubane (ONC) is one of the most powerful non-nuclear high energy density material (HEDM) currently known. 2,4,6,8-Tetranitro-1,3,5,7-tetraazacubane (TNTAC) studied in this work may also be a novel HEDM due to its high nitrogen content and crystal density. Density functional theory and molecular mechanics methods have been employed to study the crystal structure, IR spectrum, electronic structure, thermodynamic properties, gas-phase and condensed-phase heat of formation, detonation performance, and pyrolysis mechanism of TNTAC. The TNTAC has a predicted density of about 2.12 g/cm(3), and its detonation velocity (10.42 km/s) and detonation pressure (52.82 GPa) are higher than that of ONC. The crystalline packing is P2(1)2(1)2(1), and the corresponding cell parameters are Z = 4, a = 8.87 Å, b = 8.87 Å, and c = 11.47 Å. Both the density of states of the predicted crystal and the bond dissociation energy of the molecule in gas phase show that the cage C-N bond is the trigger bond during thermolysis. The activation energy of the pyrolysis initiation reaction obtained from the B3LYP/6-311++G(2df,2p) level is 125.98 kJ/mol, which indicates that TNTAC meets the thermal stability request as an exploitable HEDM.

Investigation of vapor-deposited amorphous ice and irradiated ice by molecular dynamics simulation.

PubMed

Guillot, Bertrand; Guissani, Yves

2004-03-01

With the purpose of clarifying a number of points raised in the experimental literature, we investigate by molecular dynamics simulation the thermodynamics, the structure and the vibrational properties of vapor-deposited amorphous ice (ASW) as well as the phase transformations experienced by crystalline and vitreous ice under ion bombardment. Concerning ASW, we have shown that by changing the conditions of the deposition process, it is possible to form either a nonmicroporous amorphous deposit whose density (approximately 1.0 g/cm3) is essentially invariant with the temperature of deposition, or a microporous sample whose density varies drastically upon temperature annealing. We find that ASW is energetically different from glassy water except at the glass transition temperature and above. Moreover, the molecular dynamics simulation shows no evidence for the formation of a high-density phase when depositing water molecules at very low temperature. In order to model the processing of interstellar ices by cosmic ray protons and heavy ions coming from the magnetospheric radiation environment around the giant planets, we bombarded samples of vitreous ice and cubic ice with 35 eV water molecules. After irradiation the recovered samples were found to be densified, the lower the temperature, the higher the density of the recovered sample. The analysis of the structure and vibrational properties of this new high-density phase of amorphous ice shows a close relationship with those of high-density amorphous ice obtained by pressure-induced amorphization. Copyright 2004 American Institute of Physics

Laser nitriding of iron: Nitrogen profiles and phases

NASA Astrophysics Data System (ADS)

Illgner, C.; Schaaf, P.; Lieb, K. P.; Schubert, E.; Queitsch, R.; Bergmann, H.-W.

1995-07-01

Armco iron samples were surface nitrided by irradiating them with pulses of an excimer laser in a nitrogen atmosphere. The resulting nitrogen depth profiles measured by Resonant Nuclear Reaction Analysis (RNRA) and the phase formation determined by Conversion Electron Mössbauer Spectroscopy (CEMS) were investigated as functions of energy density and the number of pulses. The nitrogen content of the samples was found to be independent of the number of pulses in a layer of 50 nm from the surface and to increase in depths exceeding 150 nm. The phase composition did not change with the number of pulses. The nitrogen content can be related to an enhanced nitrogen solubility based on high temperatures and high pressures due to the laser-induced plasma above the sample. With increasing pulse energy density, the phase composition changes towards phases with higher nitrogen contents. Nitrogen diffusion seems to be the limiting factor for the nitriding process.

Phase transitions in a system of long rods on two-dimensional lattices by means of information theory

NASA Astrophysics Data System (ADS)

Vogel, E. E.; Saravia, G.; Ramirez-Pastor, A. J.

2017-12-01

The orientational phase transitions that occur in the deposition of longitudinal polymers of length k (in terms of lattice units) are characterized by information theory techniques. We calculate the absolute value of an order parameter δ , which weights the relative orientations of the deposited rods, which varies between 0.0 (random orientation) and 1.0 (fully oriented in either of the two equivalent directions in an L ×L square lattice). A Monte Carlo (MC) algorithm is implemented to induce a dynamics allowing for accommodation of the rods for any given density or coverage θ (ratio of the occupied sites over all the sites in the lattice). The files storing δ (t ) (with time t measured in MC steps) are then treated by data recognizer wlzip based on data compressor techniques yielding the information content measured by a parameter η (θ ) . This allows us to recognize two maxima separated by a well-defined minimum for η (θ ) provided k ≥7 . The first maximum is associated with an isotropic-nematic (I -N ) phase transition occurring at intermediate density, while the second maximum is associated with some kind of nematic-isotropic transition at high coverage. In the cases of k <7 , the curves for η (θ ) are almost constant, presenting a very broad maximum which can hardly be associated with a phase transition. The study varies L and k , allowing for a basic scaling of the found critical densities towards the thermodynamic limit. These calculations confirm the tendency obtained by different methods in the case of the intermediate-density I -N phase transition, while this tendency is established here in the case of the high-density phase transition.

Experimental testing of four correction algorithms for the forward scattering spectrometer probe

NASA Technical Reports Server (NTRS)

Hovenac, Edward A.; Oldenburg, John R.; Lock, James A.

1992-01-01

Three number density correction algorithms and one size distribution correction algorithm for the Forward Scattering Spectrometer Probe (FSSP) were compared with data taken by the Phase Doppler Particle Analyzer (PDPA) and an optical number density measuring instrument (NDMI). Of the three number density correction algorithms, the one that compared best to the PDPA and NDMI data was the algorithm developed by Baumgardner, Strapp, and Dye (1985). The algorithm that corrects sizing errors in the FSSP that was developed by Lock and Hovenac (1989) was shown to be within 25 percent of the Phase Doppler measurements at number densities as high as 3000/cc.

Effective density and morphology of particles emitted from small-scale combustion of various wood fuels.

PubMed

Leskinen, Jani; Ihalainen, Mika; Torvela, Tiina; Kortelainen, Miika; Lamberg, Heikki; Tiitta, Petri; Jakobi, Gert; Grigonyte, Julija; Joutsensaari, Jorma; Sippula, Olli; Tissari, Jarkko; Virtanen, Annele; Zimmermann, Ralf; Jokiniemi, Jorma

2014-11-18

The effective density of fine particles emitted from small-scale wood combustion of various fuels were determined with a system consisting of an aerosol particle mass analyzer and a scanning mobility particle sizer (APM-SMPS). A novel sampling chamber was combined to the system to enable measurements of highly fluctuating combustion processes. In addition, mass-mobility exponents (relates mass and mobility size) were determined from the density data to describe the shape of the particles. Particle size, type of fuel, combustion phase, and combustion conditions were found to have an effect on the effective density and the particle shape. For example, steady combustion phase produced agglomerates with effective density of roughly 1 g cm(-3) for small particles, decreasing to 0.25 g cm(-3) for 400 nm particles. The effective density was higher for particles emitted from glowing embers phase (ca. 1-2 g cm(-3)), and a clear size dependency was not observed as the particles were nearly spherical in shape. This study shows that a single value cannot be used for the effective density of particles emitted from wood combustion.

Broken Time-Reversal Symmetry in Strongly Correlated Ladder Structures

NASA Astrophysics Data System (ADS)

Troyer, Matthias

2004-03-01

A decade after the first detailed numerical investigations of strongly correlated ladder models, exotic and interesting phases are still being discovered. Besides charge and spin density wave states with broken translational symmetry, and resonating valence bond (RVB) type superconductivity, a time reversal symmetry borken phase was recently found at half filling [J.B. Marston et al., Phys. Rev. Lett 89, 056404 (2002)]. In this talk I will present our recent results of density matrix renormalization group (DMRG) calculations [Phys. Rev. Lett. 90, 186401 (2003)], where we provide, for the first time, in a doped strongly correlated system (two-leg ladder), a controlled theoretical demonstration of the existence of this state in which long-range ordered orbital currents are arranged in a staggered pattern. This phase, which we found to coexist with a charge density wave, is known in the literature under the names ``staggered flux phase'', ``orbital antiferromagnetism'' or ``d-density wave (DDW)''. This brings us closer to recent proposals that this order might be realized in the enigmatic pseudogap phase of the cuprate high temperature superconductors.

Effects of protein source and nutrient density in the diets of male broilers from 8 to 21 days of age on their subsequent growth, blood constituents, and carcass compositions.

PubMed

Wang, X; Peebles, E D; Zhai, W

2014-06-01

The effects of protein source and amino acid (AA) and AME levels in the diets of male broilers from 8 to 21 d of age on subsequent growth and blood and carcass traits were investigated in the current study. Fourteen Ross × Ross 708 male broiler chicks were randomly allocated to each of 80 floor pens arranged in a randomized complete block design. Each diet contained 1 of 2 dietary protein sources (high inclusion of distillers dried grains with solubles or high inclusion of meat and bone meal), 1 of 2 AA densities (moderate or 10% higher), and 1 of 2 AME densities (2,998 or 3,100 kcal/kg). Experimental diets were fed from 8 to 21 d of age, and common diets from 1 to 7 and 21 to 55 d of age. The higher AME density in high inclusion of meat and bone meal diets increased serum triglyceride and cholesterol levels on d 20. The dietary inclusion of high inclusion of distillers dried grains with solubles or lower levels of AA increased high-density lipoprotein cholesterol on d 20. Feeding the high-AA-density diet decreased feed intake without affecting BW gain, which resulted in a lower feed conversion ratio (FCR). A high-AME-density diet lowered feed intake but increased BW gain, which resulted in a lower FCR from 8 to 21 d of age. Feed intake, BW gain, FCR from 21 to 54 d of age, and carcass weight on 42 and 55 d of age were not affected by treatments from 8 to 21 d of age. However, early dietary manipulation from 8 to 21 d of age affected fat and meat yield at 42 and 55 d of age. Moreover, a high-AME diet decreased feed cost per carcass weight gain from 8 to 55 d of age. In conclusion, high AA or AME densities during the grower phase, from d 8 to 21 of age, may improve growth during the grower feeding phase, but may also affect meat yield during the latter grow-out phases. Furthermore, high-AME diets from 8 to 21 d of age may save on feed costs for meat production. Poultry Science Association Inc.

Spin dynamics of possible density wave states in the pseudogap phase of high-temperature superconductors

NASA Astrophysics Data System (ADS)

Hsu, Chen-Hsuan; Wang, Zhiqiang; Chakravarty, Sudip

2012-12-01

In a recent inelastic neutron scattering experiment in the pseudogap state of the high-temperature superconductor YBa2Cu3O6.6, an unusual “vertical” dispersion of the spin excitations with a large in-plane anisotropy was observed. In this paper, we discuss in detail the spin susceptibility of the singlet d-density wave, the triplet d-density wave as well as the more common spin density wave orders with hopping anisotropies. From numerical calculations within the framework of random phase approximation, we find nearly vertical dispersion relations for spin excitations with anisotropic incommensurability at low energy ω≤90meV, which are reminiscent of the experiments. At very high energy ω≥165meV, we also find energy-dependent incommensurability. Although there are some important differences between the three cases, unpolarized neutron measurements cannot discriminate between these alternate possibilities; the vertical dispersion, however, is a distinct feature of all three density wave states in contrast to the superconducting state, which shows an hour-glass shape dispersion.

BCS Theory of Hadronic Matter at High Densities

NASA Astrophysics Data System (ADS)

Bohr, Henrik; Panda, Prafulla K.; Providência, Constança; da Providência, João

2012-04-01

The equilibrium between the so-called 2SC and CFL phases of strange quark matter at high densities is investigated in the framework of a simple schematic model of the NJL type. Equal densities are assumed for quarks u, d and s. The 2SC phase is here described by a color-flavor symmetric state, in which the quark numbers are independent of the color-flavor combination. In the CFL phase the quark numbers depend on the color-flavor combination, that is, the number of quarks associated with the color-flavor combinations ur, dg, sb is different from the number of quarks associated with the color flavor combinations ug, ub, dr, db, sr, sg. We find that the 2SC phase is stable for a chemical potential μ below μ c = 0.505 GeV, while the CFL phase is stable above, the equilibrium pressure being P c = 0.003 GeV4. We have used a 3-momentum regularizing cutoff Λ = 0.8 GeV, which is somewhat larger than is usual in NJL type models. This should be adequate if the relevant chemical potential does not exceed 0.6 GeV.

Method of manufacture of single phase ceramic superconductors

DOEpatents

Singh, J.P.; Poeppel, R.B.; Goretta, K.C.; Chen, N.

1995-03-28

A ceramic superconductor is produced by close control of oxygen partial pressure during sintering of the material. The resulting microstructure of YBa{sub 2}Cu{sub 3}O{sub x} indicates that sintering kinetics are enhanced at reduced p(O{sub 2}) and that because of second phase precipitates, grain growth is prevented. The density of specimens sintered at 910 C increased from 79 to 94% theoretical when p(O{sub 2}) was decreased from 0.1 to 0.0001 MPa. The increase in density with decrease in p(O{sub 2}) derives from enhanced sintering kinetics, due to increased defect concentration and decreased activation energy of the rate-controlling species undergoing diffusion. Sintering at 910 C resulted in a fine-grain microstructure, with an average grain size of about 4 {mu}m. Post sintering annealing in a region of stability for the desired phase converts the second phases and limits grain growth. The method of pinning grain boundaries by small scale decompositive products and then annealing to convert its product to the desired phase can be used for other complex asides. Such a microstructure results in reduced microcracking, strengths as high as 230 MPa and high critical current density capacity. 25 figures.

Method of manufacture of single phase ceramic superconductors

DOEpatents

Singh, Jitrenda P.; Poeppel, Roger B.; Goretta, Kenneth C.; Chen, Nan

1995-01-01

A ceramic superconductor is produced by close control of oxygen partial pressure during sintering of the material. The resulting microstructure of YBa.sub.2 Cu.sub.3 O.sub.x indicates that sintering kinetics are enhanced at reduced p(O.sub.2) and that because of second phase precipitates, grain growth is prevented. The density of specimens sintered at 910.degree. C. increased from 79 to 94% theoretical when p(O.sub.2) was decreased from 0.1 to 0.0001 MPa. The increase in density with decrease in p(O.sub.2) derives from enhanced sintering kinetics, due to increased defect concentration and decreased activation energy of the rate-controlling species undergoing diffusion. Sintering at 910.degree. C resulted in a fine-grain microstructure, with an average grain size of about 4 .mu.m. Post sintering annealing in a region of stability for the desired phase converts the second phases and limits grain growth. The method of pinning grain boundaries by small scale decompositive products and then annealing to convert its product to the desired phase can be used for other complex asides. Such a microstructure results in reduced microcracking, strengths as high as 230 MPa and high critical current density capacity.

A tale of two theories: How the adiabatic response and ULF waves affect relativistic electrons

NASA Astrophysics Data System (ADS)

Green, J. C.; Kivelson, M. G.

2001-11-01

Using data from the Comprehensive Energetic Particle and Pitch Angle Distribution (CEPPAD)-High Sensitivity Telescope (HIST) instrument on the Polar spacecraft and ground magnetometer data from the 210 meridian magnetometer chain, we test the ULF wave drift resonance theory proposed to explain relativistic electron phase space density enhancements. We begin by investigating changes in electron flux due to the ``Dst effect.'' The Dst effect refers to the adiabatic response of relativistic electrons to changes in the magnetic field characterized by the Dst index. The Dst effect, assuming no loss or addition of new electrons, produces reversible order of magnitude changes in relativistic electrons flux measured at fixed energy, but it cannot account for the flux enhancement that occurs in the recovery phase of most storms. Liouville's theorem states that phase space density expressed in terms of constant adiabatic invariants is unaffected by adiabatic field changes and thus is insensitive to the Dst effect. It is therefore useful to express flux measurements in terms of phase space densities at constant first, second and third adiabatic invariants. The phase space density is determined from the CEPPAD-HIST electron detector that measures differential directional flux of electrons from 0.7 to 9 MeV and the Tsyganenko 96 field model. The analysis is done for January to June 1997. The ULF wave drift resonance theory that we test proposes that relativistic electrons are accelerated by an m=2 toroidal or poloidal mode wave whose frequency equals the drift frequency of the electron. The theory is tested by comparing the relativistic electron phase space densities to wave power determined at three ground stations with L* values of 4.0, 5.7 and 6.2. Comparison of the wave data to the phase space densities shows that five out of nine storm events are consistent with the ULF wave drift resonance mechanism, three out of nine give ambiguous support to the model, and one event has high ULF wave power at the drift frequency of the electrons but no corresponding phase space density enhancement suggesting that ULF wave power alone is not sufficient to cause an electron response. Two explanations of the anomalous event are investigated including excessive loss of electrons to the magnetopause and wave duration.

Use of limonene in countercurrent chromatography: a green alkane substitute.

PubMed

Faure, Karine; Bouju, Elodie; Suchet, Pauline; Berthod, Alain

2013-05-07

Counter-current chromatography (CCC) is a preparative separation technique working with the two liquid phases of a biphasic liquid system. One phase is used as the mobile phase when the other, the stationary phase, is held in place by centrifugal fields. Limonene is a biorenewable cycloterpene solvent coming from orange peel waste. It was evaluated as a possible substitute for heptane in CCC separations. The limonene/methanol/water and heptane/methanol/water phase diagrams are very similar at room temperature. The double bonds of the limonene molecule allows for possible π-π interactions with solutes rendering limonene slightly more polar than heptane giving small differences in solute partition coefficients in the two systems. The 24% higher limonene density is a difference with heptane that has major consequences in CCC. The polar and apolar phases of the limonene/methanol/water 10/9/1 v/v have -0.025 g/cm(3) density difference (lower limonene phase) compared to +0.132 g/cm(3) with heptane (upper heptane phase). This precludes the use of this limonene system with hydrodynamic CCC columns that need significant density difference to retain a liquid stationary phase. It is an advantage with hydrostatic CCC columns because density difference is related to the working pressure drop: limonene allows one to work with high centrifugal fields and moderate pressure drop. Limonene has the capability to be a "green" alternative to petroleum-based solvents in CCC applications.

High-density near-field optical disc recording using phase change media and polycarbonate substrate

NASA Astrophysics Data System (ADS)

Shinoda, Masataka; Saito, Kimihiro; Ishimoto, Tsutomu; Kondo, Takao; Nakaoki, Ariyoshi; Furuki, Motohiro; Takeda, Minoru; Akiyama, Yuji; Shimouma, Takashi; Yamamoto, Masanobu

2004-09-01

We developed a high density near field optical recording disc system with a solid immersion lens and two laser sources. In order to realize the near field optical recording, we used a phase change recording media and a molded polycarbonate substrate. The near field optical pick-up consists of a solid immersion lens with numerical aperture of 1.84. The clear eye pattern of 90.2 GB capacity (160nm track pitch and 62 nm per bit) was observed. The jitter using a limit equalizer was 10.0 % without cross-talk. The bit error rate using an adaptive PRML with 8 taps was 3.7e-6 without cross-talk. We confirmed that the near field optical disc system is a promising technology for a next generation high density optical disc system.

Phase transitions in dense matter

NASA Astrophysics Data System (ADS)

Dexheimer, Veronica; Hempel, Matthias; Iosilevskiy, Igor; Schramm, Stefan

2017-11-01

As the density of matter increases, atomic nuclei disintegrate into nucleons and, eventually, the nucleons themselves disintegrate into quarks. The phase transitions (PT's) between these phases can vary from steep first order to smooth crossovers, depending on certain conditions. First-order PT's with more than one globally conserved charge, so-called non-congruent PT's, have characteristic differences compared to congruent PT's. In this conference proceeding we discuss the non-congruence of the quark deconfinement PT at high densities and/or temperatures relevant for heavy-ion collisions, neutron stars, proto-neutron stars, supernova explosions, and compact-star mergers.

Phase Transition to an Opaque Plasma in a Sonoluminescing Bubble

NASA Astrophysics Data System (ADS)

Kappus, Brian; Khalid, Shahzad; Chakravarty, Avik; Putterman, Seth

2011-06-01

Time-resolved spectrum measurements of a sonoluminescing Xe bubble reveal a transition from transparency to an opaque Planck blackbody. As the temperature is <10000K and the density is below liquid density, the photon scattering length is 10 000 times too large to explain its opacity. We resolve this issue with a model that reduces the ionization potential. According to this model, sonoluminescence originates in a new phase of matter with high ionization. Analysis of line emission from Xe* also yields evidence of phase segregation for this first-order transition inside a bubble.

Low-noise phase of a two-dimensional active nematic system

NASA Astrophysics Data System (ADS)

Shankar, Suraj; Ramaswamy, Sriram; Marchetti, M. Cristina

2018-01-01

We consider a collection of self-driven apolar particles on a substrate that organize into an active nematic phase at sufficiently high density or low noise. Using the dynamical renormalization group, we systematically study the two-dimensional fluctuating ordered phase in a coarse-grained hydrodynamic description involving both the nematic director and the conserved density field. In the presence of noise, we show that the system always displays only quasi-long-ranged orientational order beyond a crossover scale. A careful analysis of the nonlinearities permitted by symmetry reveals that activity is dangerously irrelevant over the linearized description, allowing giant number fluctuations to persist although now with strong finite-size effects and a nonuniversal scaling exponent. Nonlinear effects from the active currents lead to power-law correlations in the density field, thereby preventing macroscopic phase separation in the thermodynamic limit.

Shock-induced decomposition of a high density glass (ZF6)

NASA Astrophysics Data System (ADS)

Zhou, Xianming; Liu, Xun; Li, Jiabo; Li, Jun; Cao, Xiuxia

2011-07-01

The dynamic high-pressure behavior of a high density glass (ZF6) was investigated in this study. The Hugoniot data, shock temperature (TH) and release sound velocity (C) of ZF6 were measured by a time-resolved multi-channel pyrometer in the shock pressure (PH) range of 50-170 GPa. The Hugoniot data is in accord with the Los Alamos Scientific Laboratory (LASL) shock Hugoniot data and shows a good linearity over 21 GPa. Polymorphic phase transitions were identified by the kinks in the measured TH-PH and C-PH relationships. The onset pressures of the transformations are ˜75 and ˜128 GPa, respectively. A thermodynamic calculation suggests that the phase transition at 75 GPa is its disproportionation to massicot (high pressure phase of PbO) and melted silica while the transition at 128 GPa is from the melting of massicot.

A microwave interferometer for small and tenuous plasma density measurements.

PubMed

Tudisco, O; Lucca Fabris, A; Falcetta, C; Accatino, L; De Angelis, R; Manente, M; Ferri, F; Florean, M; Neri, C; Mazzotta, C; Pavarin, D; Pollastrone, F; Rocchi, G; Selmo, A; Tasinato, L; Trezzolani, F; Tuccillo, A A

2013-03-01

The non-intrusive density measurement of the thin plasma produced by a mini-helicon space thruster (HPH.com project) is a challenge, due to the broad density range (between 10(16) m(-3) and 10(19) m(-3)) and the small size of the plasma source (2 cm of diameter). A microwave interferometer has been developed for this purpose. Due to the small size of plasma, the probing beam wavelength must be small (λ = 4 mm), thus a very high sensitivity interferometer is required in order to observe the lower density values. A low noise digital phase detector with a phase noise of 0.02° has been used, corresponding to a density of 0.5 × 10(16) m(-3).

Phase Equilibrium Investigation on 2-Phenylethanol in Binary and Ternary Systems: Influence of High Pressure on Density and Solid-Liquid Phase Equilibrium.

PubMed

Domańska, Urszula; Królikowski, Marek; Wlazło, Michał; Więckowski, Mikołaj

2018-05-30

Ionic liquids (ILs) are important new solvents proposed for applications in different separation processes. Herein, an idea of possible use of high pressure in a general strategy of production of 2-phenylethanol (PEA) is discussed. In this work, we present the influence of pressure on the density in binary systems of {1-hexyl-1-methylpyrrolidynium bis{(trifluoromethyl)sulfonyl}imide, [HMPYR][NTf 2 ], or 1-dodecyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide, [DoMIM][NTf 2 ] + PEA} in a wide range of temperatures (298.15-348.15 K) and pressures (0.1-40 MPa). The densities at ambient and high pressures are measured to present the physicochemical properties of the ILs used in the process of separation of PEA from aqueous phase. The Tait equation was used for the correlation of density of one-component and two-component systems as a function of mole fraction, temperature, and pressure. The influence of pressure is not significant. These systems exhibit mainly negative molar excess volumes, V E . The solid-liquid phase equilibrium (SLE) of [DoMIM][NTf 2 ] in PEA at atmospheric pressure was measured and compared to the SLE high-pressure results. Additionally, the ternary liquid-liquid phase equilibrium (LLE) at ambient pressure in the {[DoMIM][NTf 2 ] (1) + PEA (2) + water (3)} at temperature T = 308.15 K was investigated. The solubility of water in the [DoMIM][NTf 2 ] is quite high in comparison with that measured by us earlier for ILs ( x 3 = 0.403) at T = 308.15 K, which results in not very successful average selectivity of extraction of PEA from the aqueous phase. The [DoMIM][NTf 2 ] has shown strong interaction with PEA without the immiscibility region. The ternary system revealed Treybal's type phase equilibrium in which two partially miscible binaries ([DoMIM][NTf 2 ] + water) and (PEA + water) exist. From the results of LLE in the ternary system, the selectivity and the solute distribution ratio of separation of water/PEA were calculated and compared to the results obtained for the ILs measured earlier by us. The popular NRTL model was used to correlate the experimental tie-lines in ternary LLE. These results may help in a new technological project of "in situ" extraction of PEA from aqueous phase during the biosynthesis.

Influence of B4C-doping and high-energy ball milling on phase formation and critical current density of (Bi,Pb)-2223 HTS

NASA Astrophysics Data System (ADS)

Margiani, N. G.; Mumladze, G. A.; Adamia, Z. A.; Kuzanyan, A. S.; Zhghamadze, V. V.

2018-05-01

In this paper, the combined effects of B4C-doping and planetary ball milling on the phase evolution, microstructure and transport properties of Bi1.7Pb0.3Sr2Ca2Cu3Oy(B4C)x HTS with x = 0 ÷ 0.125 were studied through X-ray diffraction (XRD), scanning electron microscopy (SEM), resistivity and critical current density measurements. Obtained results have shown that B4C additive leads to the strong acceleration of high-Tc phase formation and substantial enhancement in Jc. High-energy ball milling seems to produce a more homogeneous distribution of refined doped particles in the (Bi,Pb)-2223 HTS which results in an improved intergranular flux pinning and better self-field Jc performance.

Two-leg ladder systems with dipole–dipole Fermion interactions

NASA Astrophysics Data System (ADS)

Mosadeq, Hamid; Asgari, Reza

2018-05-01

The ground-state phase diagram of a two-leg fermionic dipolar ladder with inter-site interactions is studied using density matrix renormalization group (DMRG) techniques. We use a state-of-the-art implementation of the DMRG algorithm and finite size scaling to simulate large system sizes with high accuracy. We also consider two different model systems and explore stable phases in half and quarter filling factors. We find that in the half filling, the charge and spin gaps emerge in a finite value of the dipole–dipole and on-site interactions. In the quarter filling case, s-wave superconducting state, charge density wave, homogenous insulating and phase separation phases occur depend on the interaction values. Moreover, in the dipole–dipole interaction, the D-Mott phase emerges when the hopping terms along the chain and rung are the same, whereas, this phase has been only proposed for the anisotropic Hubbard model. In the half filling case, on the other hand, there is either charge-density wave or charged Mott order phase depends on the orientation of the dipole moments of the particles with respect to the ladder geometry.

Phases of kinky holographic nuclear matter

NASA Astrophysics Data System (ADS)

Elliot-Ripley, Matthew; Sutcliffe, Paul; Zamaklar, Marija

2016-10-01

Holographic QCD at finite baryon number density and zero temperature is studied within the five-dimensional Sakai-Sugimoto model. We introduce a new approximation that models a smeared crystal of solitonic baryons by assuming spatial homogeneity to obtain an effective kink theory in the holographic direction. The kink theory correctly reproduces a first order phase transition to lightly bound nuclear matter. As the density is further increased the kink splits into a pair of half-kink constituents, providing a concrete realization of the previously suggested dyonic salt phase, where the bulk soliton splits into constituents at high density. The kink model also captures the phenomenon of baryonic popcorn, in which a first order phase transition generates an additional soliton layer in the holographic direction. We find that this popcorn transition takes place at a density below the dyonic salt phase, making the latter energetically unfavourable. However, the kink model predicts only one pop, rather than the sequence of pops suggested by previous approximations. In the kink model the two layers produced by the single pop form the surface of a soliton bag that increases in size as the baryon chemical potential is increased. The interior of the bag is filled with abelian electric potential and the instanton charge density is localized on the surface of the bag. The soliton bag may provide a holographic description of a quarkyonic phase.

Study of discharge cleaning process in JIPP T-2 Torus by residual gas analyzer

NASA Astrophysics Data System (ADS)

Noda, N.; Hirokura, S.; Taniguchi, Y.; Tanahashi, S.

1982-12-01

During discharge cleaning, decay time of water vapor pressure changes when the pressure reaches a certain level. A long decay time observed in the later phase can be interpreted as a result of a slow deoxidization rate of chromium oxide, which may dominate the cleaning process in this phase. Optimization of plasma density for the cleaning is discussed comparing the experimental results on density dependence of water vapor pressure with a result based on a zero dimensional calculation for particle balance. One of the essential points for effective cleaning is the raising of the electron density of the plasma high enough that the dissociation loss rate of H2O is as large as the sticking loss rate. A density as high as 10 to the 11th power/cu cm is required for a clean surface condition where sticking probability is presumed to be around 0.5.

Hard convex lens-shaped particles: Densest-known packings and phase behavior

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

Cinacchi, Giorgio, E-mail: giorgio.cinacchi@uam.es; Torquato, Salvatore, E-mail: torquato@princeton.edu

2015-12-14

By using theoretical methods and Monte Carlo simulations, this work investigates dense ordered packings and equilibrium phase behavior (from the low-density isotropic fluid regime to the high-density crystalline solid regime) of monodisperse systems of hard convex lens-shaped particles as defined by the volume common to two intersecting congruent spheres. We show that, while the overall similarity of their shape to that of hard oblate ellipsoids is reflected in a qualitatively similar phase diagram, differences are more pronounced in the high-density crystal phase up to the densest-known packings determined here. In contrast to those non-(Bravais)-lattice two-particle basis crystals that are themore » densest-known packings of hard (oblate) ellipsoids, hard convex lens-shaped particles pack more densely in two types of degenerate crystalline structures: (i) non-(Bravais)-lattice two-particle basis body-centered-orthorhombic-like crystals and (ii) (Bravais) lattice monoclinic crystals. By stacking at will, regularly or irregularly, laminae of these two crystals, infinitely degenerate, generally non-periodic in the stacking direction, dense packings can be constructed that are consistent with recent organizing principles. While deferring the assessment of which of these dense ordered structures is thermodynamically stable in the high-density crystalline solid regime, the degeneracy of their densest-known packings strongly suggests that colloidal convex lens-shaped particles could be better glass formers than colloidal spheres because of the additional rotational degrees of freedom.« less

Orientation and faulted structure of γ'-phases in lanthanum-alloyed Ni-Al-Cr superalloy

NASA Astrophysics Data System (ADS)

Nikonenko, Elena; Shergaeva, Lyubov'; Popova, Natalya; Koneva, Nina; Qin, Rongshan; Gromov, Victor; Fedorischeva, Marina

2017-12-01

The paper presents the transmission and the scanning electron microscope investigations of thin foils of Ni-Al-Cr-based superalloy, which is obtained by the directional crystallization technique. This superalloy contains γ'- and γ- phases. Additionally, lanthanum is introduced in the superalloy in 0.015, 0.10 and 0.30 wt % concentrations. The superalloy specimens are then subjected to 1273 K annealing during 10 and 25 h. It is shown that γ'-phase is major. In the superalloy, lanthanides La2Ni3 and Al2La are detected along with carbide La2C3 particles located on dislocations of the major phase. The amount of phases in the superalloy depends on its thermal treatment and lanthanum concentration. The investigations include the effect of annealing on scalar density of dislocations in γ'-phase. It is demonstrated that lanthanum alloying modifies the preferred orientation of γ'-phase. Annealing of lanthanum-alloyed superalloy causes the orientation dispersion. In γ'-phase, the correlation is observed between the degree of heterogeneity of solid solution and scalar dislocation density. It is shown that this heterogeneity results in the formation of high-density dislocations in γ'- phase.

Nature of the first-order liquid-liquid phase transition in supercooled silicon

NASA Astrophysics Data System (ADS)

Zhao, G.; Yu, Y. J.; Tan, X. M.

2015-08-01

The first-order liquid-liquid phase transition in supercooled Si is revisited by long-time first-principle molecular dynamics simulations. As the focus of the present paper, its nature is revealed by analyzing the inherent structures of low-density liquid (LDL) and high-density liquid (HDL). Our results show that it is a transition between a sp3-hybridization LDL and a white-tin-like HDL. This uncovers the origin of the semimetal-metal transition accompanying it and also proves that HDL is the metastable extension of high temperature equilibrium liquid into the supercooled regime. The pressure-temperature diagram of supercooled Si thus can be regarded in some respects as shifted reflection of its crystalline phase diagram.

Electron particle transport and turbulence studies in the T-10 tokamak

NASA Astrophysics Data System (ADS)

Vershkov, V. A.; Borisov, M. A.; Subbotin, G. F.; Shelukhin, D. A.; Dnestrovskii, Yu. N.; Danilov, A. V.; Cherkasov, S. V.; Gorbunov, E. P.; Sergeev, D. S.; Grashin, S. A.; Krylov, S. V.; Kuleshin, E. O.; Myalton, T. B.; Skosyrev, Yu. V.; Chistiakov, V. V.

2013-08-01

The goals of this paper are to compare the results of electron particle transport measurements in ohmic (OH) plasmas by means of a small perturbation technique, high-level gas puff and gas switch off, investigate the phenomenon of ‘density pump out’ during electron cyclotron resonance heating (ECRH) and to correlate density behaviour with turbulence. Two approaches for plasma particle transport studies were compared: the low perturbation technique of periodic puff (δn/ne = 0.3%) and strong density variations (δn/ne < 50%), including density ramp-up by gas puff and ramp-down with gas switch off. The model with constant in time diffusion coefficients and pinch velocities could describe the core density perturbations but failed at the edge. In the case of strong puff three stages were distinguished. Degraded energy confinement and, respectively, low turbulence frequencies were observed during density ramp-up and ramp-down, while enhanced confinement and higher turbulence frequencies were typical for the intermediate stage. Density profile variation during this intermediate phase could be described in the framework of the transport model with constant in time coefficients. The application of ECRH at the density ramp-up phase provided the possibility of postponing the ‘density pump out’. The increase in the low-frequency modes in turbulence spectra was observed at the ‘density pump out’ phase during central ECRH. Although the high- and low-frequency bands of turbulence spectra behaved as trapped electron mode and ion temperature gradient, respectively, they both rotated at the same angular velocity as a rigid body together with magnetohydrodynamic mode m/n = 2/1 and [E × B] plasma rotation.

Effects of seed density and proximity to refuge habitat on seed predation rates for a rare and a common Lupinus species.

PubMed

Pardini, Eleanor A; Patten, Melissa V; Knight, Tiffany M

2017-03-01

Biotic interactions such as seed predation can play a role in explaining patterns of abundance among plant species. The effect of seed predation will depend on how the strength of predation differs across species and environments, and on the degree to which seed loss at one life-cycle phase increases fitness at another phase. Few studies have simultaneously quantified predispersal and postdispersal predation in co-occurring rare and common congeners, despite the value of estimating both for understanding causes of rarity. We quantified predispersal seed predation on the rare, herbaceous species Lupinus tidestromii (Fabaceae) and its common, shrubby congener L. chamissonis across multiple years in the same community. We experimentally measured postdispersal seed predation at two seed densities and locations near or far from an exotic grass housing high densities of deer mice ( Peromyscus maniculatus ), their primary, native seed predator. The common L. chamissonis had the lowest predispersal seed predation of the two lupine species, potentially because of its height: its high racemes received less predation than those low to the ground. By contrast, the same species experienced higher postdispersal seed predation, and at predators traveled long distances away from refuge habitat to consume their seeds. Across both plant species, mice preferentially predated high-density seed sources. Our results show differences in the magnitude and direction of seed predation between the species across different life-cycle phases. We demonstrated possible roles of proximity to refuge habitat, seed density, and seed size in these patterns. Congeneric comparisons would benefit from a comprehensive framework that considers seed predation across different life-cycle phases and the environmental context of predation. © 2017 Botanical Society of America.

Thermodynamically constrained correction to ab initio equations of state

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

French, Martin; Mattsson, Thomas R.

2014-07-07

We show how equations of state generated by density functional theory methods can be augmented to match experimental data without distorting the correct behavior in the high- and low-density limits. The technique is thermodynamically consistent and relies on knowledge of the density and bulk modulus at a reference state and an estimation of the critical density of the liquid phase. We apply the method to four materials representing different classes of solids: carbon, molybdenum, lithium, and lithium fluoride. It is demonstrated that the corrected equations of state for both the liquid and solid phases show a significantly reduced dependence ofmore » the exchange-correlation functional used.« less

Nanocomposites for ultra high density information storage, devices including the same, and methods of making the same

DOEpatents

Goyal, Amit; Shin, Junsoo

2014-04-01

A nanocomposite article that includes a single-crystal or single-crystal-like substrate and heteroepitaxial, phase-separated layer supported by a surface of the substrate and a method of making the same are described. The heteroepitaxial layer can include a continuous, non-magnetic, crystalline, matrix phase, and an ordered, magnetic magnetic phase disposed within the matrix phase. The ordered magnetic phase can include a plurality of self-assembled crystalline nanostructures of a magnetic material. The phase-separated layer and the single crystal substrate can be separated by a buffer layer. An electronic storage device that includes a read-write head and a nanocomposite article with a data storage density of 0.75 Tb/in.sup.2 is also described.

Phase separation of a Lennard-Jones fluid interacting with a long, condensed polymer chain: implications for the nuclear body formation near chromosomes.

PubMed

Oh, Inrok; Choi, Saehyun; Jung, YounJoon; Kim, Jun Soo

2015-08-28

Phase separation in a biological cell nucleus occurs in a heterogeneous environment filled with a high density of chromatins and thus it is inevitably influenced by interactions with chromatins. As a model system of nuclear body formation in a cell nucleus filled with chromatins, we simulate the phase separation of a low-density Lennard-Jones (LJ) fluid interacting with a long, condensed polymer chain. The influence of the density variation of LJ particles above and below the phase boundary and the role of attractive interactions between LJ particles and polymer segments are investigated at a fixed value of strong self-interaction between LJ particles. For a density of LJ particles above the phase boundary, phase separation occurs and a dense domain of LJ particles forms irrespective of interactions with the condensed polymer chain whereas its localization relative to the polymer chain is determined by the LJ-polymer attraction strength. Especially, in the case of moderately weak attractions, the domain forms separately from the polymer chain and subsequently associates with the polymer chain. When the density is below the phase boundary, however, the formation of a dense domain is possible only when the LJ-polymer attraction is strong enough, for which the domain grows in direct contact with the interacting polymer chain. In this work, different growth behaviors of LJ particles result from the differences in the density of LJ particles and in the LJ-polymer interaction, and this work suggests that the distinct formation of activity-dependent and activity-independent nuclear bodies (NBs) in a cell nucleus may originate from the differences in the concentrations of body-specific NB components and in their interaction with chromatins.

The impact of multiphase behaviour on coke deposition in heavy oil hydroprocessing catalysts

NASA Astrophysics Data System (ADS)

Zhang, Xiaohui

Coke deposition in heavy oil catalytic hydroprocessing remains a serious problem. The influence of multiphase behaviour on coke deposition is an important but unresolved question. A model heavy oil system (Athabasca vacuum bottoms (ABVB) + decane) and a commercial heavy oil hydrotreating catalyst (NiMo/gamma-Al 2O3) were employed to study the impact of multiphase behaviour on coke deposition. The model heavy oil mixture exhibits low-density liquid + vapour (L1V), high-density liquid + vapour (L2V), as well as low-density liquid + high-density liquid + vapour (L1L2V) phase behaviour at a typical hydroprocessing temperature (380°C). The L2 phase only arises for the ABVB composition range from 10 to 50 wt %. The phase behaviour undergoes transitions from V to L2V, to L1L2V, to L1V with increasing ABVB compositions at the pressure examined. The addition of hydrogen into the model heavy oil mixtures at a fixed mass ratio (0.0057:1) does not change the phase behaviour significantly, but shifts the phase regions and boundaries vertically from low pressure to high pressure. In the absence of hydrogen, the carbon content, surface area and pore volume losses for catalyst exposed to the L1 phase are greater than for the corresponding L2 phase despite a higher coke precursor concentration in L2 than in L1. By contrast, in the presence of hydrogen, the carbon content, surface area and pore volume losses for the catalyst exposed to the L2 phase are greater than for the corresponding L1 phase. The higher hydrogen concentration in L1 appears to reverse the observed results. In the presence of hydrogen, L2 was most closely associated with coke deposition, L1 less associated with coke deposition, and V least associated with coke deposition. Coke deposition is maximized in the phase regions where the L2 phase arises. This key result is inconsistent with expectation and coke deposition models where the extent of coke deposition, at otherwise fixed reaction conditions, is asserted to be proportional to the nominal concentration of coke precursor present in the feed. These new findings are very significant both with respect to providing guidance concerning possible operation improvement for existing processes and for the development of new upgrading processes.

2D image of local density and magnetic fluctuations from line-integrated interferometry-polarimetry measurements.

PubMed

Lin, L; Ding, W X; Brower, D L

2014-11-01

Combined polarimetry-interferometry capability permits simultaneous measurement of line-integrated density and Faraday effect with fast time response (∼1 μs) and high sensitivity. Faraday effect fluctuations with phase shift of order 0.05° associated with global tearing modes are resolved with an uncertainty ∼0.01°. For physics investigations, local density fluctuations are obtained by inverting the line-integrated interferometry data. The local magnetic and current density fluctuations are then reconstructed using a parameterized fit of the polarimetry data. Reconstructed 2D images of density and magnetic field fluctuations in a poloidal cross section exhibit significantly different spatial structure. Combined with their relative phase, the magnetic-fluctuation-induced particle transport flux and its spatial distribution are resolved.

2D image of local density and magnetic fluctuations from line-integrated interferometry-polarimetry measurements

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

Lin, L., E-mail: lianglin@ucla.edu; Ding, W. X.; Brower, D. L.

2014-11-15

Combined polarimetry-interferometry capability permits simultaneous measurement of line-integrated density and Faraday effect with fast time response (∼1 μs) and high sensitivity. Faraday effect fluctuations with phase shift of order 0.05° associated with global tearing modes are resolved with an uncertainty ∼0.01°. For physics investigations, local density fluctuations are obtained by inverting the line-integrated interferometry data. The local magnetic and current density fluctuations are then reconstructed using a parameterized fit of the polarimetry data. Reconstructed 2D images of density and magnetic field fluctuations in a poloidal cross section exhibit significantly different spatial structure. Combined with their relative phase, the magnetic-fluctuation-induced particlemore » transport flux and its spatial distribution are resolved.« less

Fundamental incorporation of the density change during melting of a confined phase change material

NASA Astrophysics Data System (ADS)

Hernández, Ernesto M.; Otero, José A.

2018-02-01

The modeling of thermal diffusion processes taking place in a phase change material presents a challenge when the dynamics of the phase transition is coupled to the mechanical properties of the container. Thermo-mechanical models have been developed by several authors, however, it will be shown that these models only explain the phase transition dynamics at low pressures when the density of each phase experiences negligible changes. In our proposal, a new energy-mass balance equation at the interface is derived and found to be a consequence of mass conservation. The density change experienced in each phase is predicted by the proposed formulation of the problem. Numerical and semi-analytical solutions to the proposed model are presented for an example on a high temperature phase change material. The solutions to the models presented by other authors are observed to be well-behaved close to the isobaric limit. However, compared to the results obtained from our model, the change in the fusion temperature, latent heat, and absolute pressure is found to be greatly overestimated by other proposals when the phase transition is studied close to the isochoric regime.

Cytoskeletal Components Define Protein Location to Membrane Microdomains*

PubMed Central

Szymanski, Witold G.; Zauber, Henrik; Erban, Alexander; Gorka, Michal; Wu, Xu Na; Schulze, Waltraud X.

2015-01-01

The plasma membrane is an important compartment that undergoes dynamic changes in composition upon external or internal stimuli. The dynamic subcompartmentation of proteins in ordered low-density (DRM) and disordered high-density (DSM) membrane phases is hypothesized to require interactions with cytoskeletal components. Here, we systematically analyzed the effects of actin or tubulin disruption on the distribution of proteins between membrane density phases. We used a proteomic screen to identify candidate proteins with altered submembrane location, followed by biochemical or cell biological characterization in Arabidopsis thaliana. We found that several proteins, such as plasma membrane ATPases, receptor kinases, or remorins resulted in a differential distribution between membrane density phases upon cytoskeletal disruption. Moreover, in most cases, contrasting effects were observed: Disruption of actin filaments largely led to a redistribution of proteins from DRM to DSM membrane fractions while disruption of tubulins resulted in general depletion of proteins from the membranes. We conclude that actin filaments are necessary for dynamic movement of proteins between different membrane phases and that microtubules are not necessarily important for formation of microdomains as such, but rather they may control the protein amount present in the membrane phases. PMID:26091700

Titanium α-ω phase transformation pathway and a predicted metastable structure

DOE PAGES

Zarkevich, Nickolai A.; Johnson, Duane D.

2016-01-15

A titanium is a highly utilized metal for structural lightweighting and its phases, transformation pathways (transition states), and structures have scientific and industrial importance. Using a proper solid-state nudged elastic band method employing two climbing images combined with density functional theory DFT + U methods for accurate energetics, we detail the pressure-induced α (ductile) to ω (brittle) transformation at the coexistence pressure. We also find two transition states along the minimal-enthalpy path and discover a metastable body-centered orthorhombic structure, with stable phonons, a lower density than the end-point phases, and decreasing stability with increasing pressure.

Phase transition to an opaque plasma in a sonoluminescing bubble.

PubMed

Kappus, Brian; Khalid, Shahzad; Chakravarty, Avik; Putterman, Seth

2011-06-10

Time-resolved spectrum measurements of a sonoluminescing Xe bubble reveal a transition from transparency to an opaque Planck blackbody. As the temperature is <10 000  K and the density is below liquid density, the photon scattering length is 10 000 times too large to explain its opacity. We resolve this issue with a model that reduces the ionization potential. According to this model, sonoluminescence originates in a new phase of matter with high ionization. Analysis of line emission from Xe* also yields evidence of phase segregation for this first-order transition inside a bubble.

Theoretical evidence for a first-order liquid-liquid phase transition in gallium.

PubMed

Carvajal Jara, Diego Alejandro; Fontana Michelon, Mateus; Antonelli, Alex; de Koning, Maurice

2009-06-14

We report on theoretical results that lend support to recent experimental observations suggesting the existence of a first-order liquid-liquid phase transformation (LLPT) in gallium. Using molecular dynamics simulation based on a modified embedded-atom model, we observe a transition from a high-density to a low-density liquid in the supercooled regime. The first-order character of the transition is established through the detection of the release of latent heat and our findings suggest that the LLPT terminates in a critical point that is located in the tensile-strained domain of the metastable phase diagram.

Phase behavior of metastable liquid silicon at negative pressure: Ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

Zhao, G.; Yu, Y. J.; Yan, J. L.; Ding, M. C.; Zhao, X. G.; Wang, H. Y.

2016-04-01

Extensive first-principle molecular dynamics simulations are performed to study the phase behavior of metastable liquid Si at negative pressure. Our results show that the high-density liquid (HDL) and HDL-vapor spinodals indeed form a continuous reentrant curve and the liquid-liquid critical point seems to just coincide with its minimum. The line of density maxima also has a strong tendency to pass through this minimum. The phase behaviour of metastable liquid Si therefore tends to be a critical-point-free scenario rather than a second-critical-point one based on SW potential.

QCD In Extreme Conditions

NASA Astrophysics Data System (ADS)

Wilczek, Frank

Introduction Symmetry and the Phenomena of QCD Apparent and Actual Symmetries Asymptotic Freedom Confinement Chiral Symmetry Breaking Chiral Anomalies and Instantons High Temperature QCD: Asymptotic Properties Significance of High Temperature QCD Numerical Indications for Quasi-Free Behavior Ideas About Quark-Gluon Plasma Screening Versus Confinement Models of Chiral Symmetry Breaking More Refined Numerical Experiments High-Temperature QCD: Phase Transitions Yoga of Phase Transitions and Order Parameters Application to Glue Theories Application to Chiral Transitions Close Up on Two Flavors A Genuine Critical Point! (?) High-Density QCD: Methods Hopes, Doubts, and Fruition Another Renormalization Group Pairing Theory Taming the Magnetic Singularity High-Density QCD: Color-Flavor Locking and Quark-Hadron Continuity Gauge Symmetry (Non)Breaking Symmetry Accounting Elementary Excitations A Modified Photon Quark-Hadron Continuity Remembrance of Things Past More Quarks Fewer Quarks and Reality

Thermal collapse and hierarchy of polymorphs in a faujasite-type zeolite and its analogous melt-quenched glass

NASA Astrophysics Data System (ADS)

Palenta, Theresia; Fuhrmann, Sindy; Greaves, G. Neville; Schwieger, Wilhelm; Wondraczek, Lothar

2015-02-01

We examine the route of structural collapse and re-crystallization of faujasite-type (Na,K)-LSX zeolite. As the first step, a rather stable amorphous high density phase HDAcollapse is generated through an order-disorder transition from the original zeolite via a low density phase LDAcollapse, at around 790 °C. We find that the overall amorphization is driven by an increase in the bond angle distribution within T-O-T and a change in ring statistics to 6-membered TO4 (T = Si4+, Al3+) rings at the expense of 4-membered rings. The HDAamorph transforms into crystalline nepheline, though, through an intermediate metastable carnegieite phase. In comparison, the melt-derived glass of similar composition, HDAMQ, crystallizes directly into the nepheline phase without the occurrence of intermediate carnegieite. This is attributed to the higher structural order of the faujasite-derived HDAcollapse which prefers the re-crystallization into the highly symmetric carnegieite phase before transformation into nepheline with lower symmetry.

Chorus Waves Modulation of Langmuir Waves in the Radiation Belts

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

Li, Jinxing; Bortnik, Jacob; An, Xin

Using high-resolution waveforms measured by the Van Allen Probes, we report a novel observation in the radiation belts. Namely, we show that multiband, discrete, rising-tone whistler-mode chorus emissions exhibit a one-to-one correlation with Langmuir wave bursts. Moreover, the periodic Langmuir wave bursts are generally observed at the phase location where the chorus wave E || component is oriented opposite to its propagation direction. The electron measurements show a beam in phase space density at the particle velocity that matches the parallel phase velocity of the chorus waves. Based on this evidence, we conclude that the chorus waves accelerate the suprathermalmore » electrons via Landau resonance, and generate a localized electron beam in phase space density. Consequently, the Langmuir waves are excited locally and are modulated by the chorus wave phase. As a result, this microscale interaction between chorus waves and high frequency electrostatic waves provides a new insight into the nonlinear wave-particle interaction process.« less

Chorus Waves Modulation of Langmuir Waves in the Radiation Belts

DOE PAGES

Li, Jinxing; Bortnik, Jacob; An, Xin; ...

2017-11-20

Using high-resolution waveforms measured by the Van Allen Probes, we report a novel observation in the radiation belts. Namely, we show that multiband, discrete, rising-tone whistler-mode chorus emissions exhibit a one-to-one correlation with Langmuir wave bursts. Moreover, the periodic Langmuir wave bursts are generally observed at the phase location where the chorus wave E || component is oriented opposite to its propagation direction. The electron measurements show a beam in phase space density at the particle velocity that matches the parallel phase velocity of the chorus waves. Based on this evidence, we conclude that the chorus waves accelerate the suprathermalmore » electrons via Landau resonance, and generate a localized electron beam in phase space density. Consequently, the Langmuir waves are excited locally and are modulated by the chorus wave phase. As a result, this microscale interaction between chorus waves and high frequency electrostatic waves provides a new insight into the nonlinear wave-particle interaction process.« less

A High Resolution Phase Shifting Interferometer.

NASA Astrophysics Data System (ADS)

Bayda, Michael; Bartscher, Christoph; Wilkinson, Allen

1997-03-01

Configuration, operation, and performance details of a high resolution phase shifting Twyman-Green interferometer are presented. The instrument was used for density relaxation experiments of very compressible liquid-vapor critical fluids.(A companion talk in the Nonequilibrium Phenomena session under Complex Fluids presents density equilibration work.) A sample assembly contained the cell, beam splitter, phase shifter, and mirrors inside a 6 cm diameter by 6 cm long aluminum cylinder. This sample assembly was contained inside a thermostat stable to 50 μK RMS deviation. A thin phase retarding Liquid Crystal Cell (LCC) was placed in the reference arm of the interferometer. The LCC provided four cumulative 90 degree phase shifts to produce four images used in computing each phase map. The Carré technique was used to calculate a phase value for each pixel from the four intensities of each pixel. Four images for one phase map could be acquired in less than two seconds. The spatial resolution was 25 μm. The phase resolution of the interferometer in a six second period was better than λ/400. The phase stability of the interferometer during 25 hours was better than λ/70. Factors affecting timing, resolution, and other phase shifting devices will be discussed. WWW Presentation

Integration of Fixed and Flexible Route Public Transportation Systems, Phase II

DOT National Transportation Integrated Search

2012-01-01

Conventional bus service (with fixed routes and schedules) has lower average cost than flexible bus service (with : demand-responsive routes) at high demand densities. At low demand densities flexible bus service has lower : average costs and provide...

High-pressure crystal structures of an insensitive energetic crystal: 1,1-diamino-2,2-dinitroethene

DOE PAGES

Dreger, Zbigniew A.; Stash, Adam I.; Yu, Zhi -Gang; ...

2015-12-03

Understanding the insensitivity/stability of insensitive high explosive crystals requires detailed structural information at high pressures and high temperatures of interest. Synchrotron single crystal x-ray diffraction experiments were used to determine the high-pressure structures of 1,1-diamino-2,2-dinitroethene (FOX-7), a prototypical insensitive high explosive. The phase transition around 4.5 GPa was investigated and the structures were determined at 4.27 GPa (α’-phase) and 5.9 GPa (ε-phase). The α’-phase (monoclinic, P2 1/ n), structurally indistinguishable from the ambient α-phase, transforms to the new ε-phase (triclinic, P1). The most notable features of the ε-phase, compared to the α’-phase, are: formation of planar layers and flattening ofmore » molecules. Density functional theory (DFT-D2) calculations complemented the experimental results. Furthermore, the results presented here are important for understanding the molecular and crystalline attributes governing the high-pressure insensitivity/stability of insensitive high explosive crystals.« less

High-pressure crystal structures of an insensitive energetic crystal: 1,1-diamino-2,2-dinitroethene

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

Dreger, Zbigniew A.; Stash, Adam I.; Yu, Zhi -Gang

Understanding the insensitivity/stability of insensitive high explosive crystals requires detailed structural information at high pressures and high temperatures of interest. Synchrotron single crystal x-ray diffraction experiments were used to determine the high-pressure structures of 1,1-diamino-2,2-dinitroethene (FOX-7), a prototypical insensitive high explosive. The phase transition around 4.5 GPa was investigated and the structures were determined at 4.27 GPa (α’-phase) and 5.9 GPa (ε-phase). The α’-phase (monoclinic, P2 1/ n), structurally indistinguishable from the ambient α-phase, transforms to the new ε-phase (triclinic, P1). The most notable features of the ε-phase, compared to the α’-phase, are: formation of planar layers and flattening ofmore » molecules. Density functional theory (DFT-D2) calculations complemented the experimental results. Furthermore, the results presented here are important for understanding the molecular and crystalline attributes governing the high-pressure insensitivity/stability of insensitive high explosive crystals.« less

Boron-Based Hydrogen Storage: Ternary Borides and Beyond

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

Vajo, John J.

DOE continues to seek reversible solid-state hydrogen materials with hydrogen densities of ≥11 wt% and ≥80 g/L that can deliver hydrogen and be recharged at moderate temperatures (≤100 °C) and pressures (≤100 bar) enabling incorporation into hydrogen storage systems suitable for transportation applications. Boron-based hydrogen storage materials have the potential to meet the density requirements given boron’s low atomic weight, high chemical valance, and versatile chemistry. However, the rates of hydrogen exchange in boron-based compounds are thus far much too slow for practical applications. Although contributing to the high hydrogen densities, the high valance of boron also leads to slowmore » rates of hydrogen exchange due to extensive boron-boron atom rearrangements during hydrogen cycling. This rearrangement often leads to multiple solid phases occurring over hydrogen release and recharge cycles. These phases must nucleate and react with each other across solid-solid phase boundaries leading to energy barriers that slow the rates of hydrogen exchange. This project sought to overcome the slow rates of hydrogen exchange in boron-based hydrogen storage materials by minimizing the number of solid phases and the boron atom rearrangement over a hydrogen release and recharge cycle. Two novel approaches were explored: 1) developing matched pairs of ternary borides and mixed-metal borohydrides that could exchange hydrogen with only one hydrogenated phase (the mixed-metal borohydride) and only one dehydrogenated phase (the ternary boride); and 2) developing boranes that could release hydrogen by being lithiated using lithium hydride with no boron-boron atom rearrangement.« less

Pressure-Induced Irreversible Phase Transition in the Energetic Material Urea Nitrate

NASA Astrophysics Data System (ADS)

Li, Shourui; Zou, Bo

2013-06-01

The behavior of energetic material Urea Nitrate ((NH2)2 COH+ . NO3-,UN) has been investigated up to the pressure of ~26 GPa. UN exhibits the typical supramolecular structure with uronium cation and nitrate anion held together by multiple hydrogen bonds in the layer. Both Raman and XRD data provide obvious evidence for the distorted phase transition in the pressure range ~9-15 GPa. Further analysis indicates phase II has Pc symmetry. The mechanism for the phase transition involves collapse of the initial 2D supramolecular structure to 3D hydrogen-bonded networks in phase Pc. Importantly, the transition is irreversible and leads to a large reduction in volume on release of pressure. The density in phase Pc has been increased by ~11.8% compared to the phase P21/ c under ambient conditions and therefore phase Pc is expected to have much higher detonation power. This study opens new opportunities for preparing energetic materials with high density combining supramolecular chemistry with high-pressure techniques. Corresponding author. E-mail: zoubo@jlu.edu.cn This work is supported by National Science Foundation of China (NSFC) (Nos. 91227202, and 21073071).

Ab initio prediction of half-metallic properties for the ferromagnetic Heusler alloys Co2MSi (M=Ti,V,Cr)

NASA Astrophysics Data System (ADS)

Chen, Xing-Qiu; Podloucky, R.; Rogl, P.

2006-12-01

By means of density functional calculations, the magnetic and electronic properties and phase stabilities of the Heusler compounds Co2MSi (with M =Ti,V,Cr,Mn,Fe,Co,Ni) were investigated. Based on the calculated results, we predict the ferromagnetic phases of the compounds Co2TiSi, Co2VSi, and Co2CrSi to be half metals. Of particular interest is Co2CrSi because of its high density of majority-spin states at Fermi energy in combination with a reasonably high estimated Curie temperature of 747K. The compounds Co2TiSi and Co2VSi are thermodynamically stable, whereas Co2CrSi is of a metastable phase which might be stabilized by suitable experimental techniques.

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.

Kaon Condensation and the Non-Uniform Nuclear Matter

NASA Astrophysics Data System (ADS)

Maruyama, Toshiki; Tatsumi, Toshitaka; Voskresensky, Dmitri N.; Tanigawa, Tomonori; Chiba, Satoshi

2004-04-01

Non-uniform structures of nuclear matter are studied in a wide density-range. Using the density functional theory with a relativistic mean-field model, we examine non-uniform structures at sub-nuclear densities (nuclear "pastas") and at high densities, where kaon condensate is expected. We try to give a unified view about the change of the matter structure as density increases, carefully taking into account the Coulomb screening effects from the viewpoint of first-order phase transition.

High-temperature high-pressure properties of silica from Quantum Monte Carlo and Density Functional Perturbation Theory

NASA Astrophysics Data System (ADS)

Cohen, R. E.; Driver, K.; Wu, Z.; Militzer, B.; Rios, P. L.; Towler, M.; Needs, R.

2009-03-01

We have used diffusion quantum Monte Carlo (DMC) with the CASINO code with thermal free energies from phonons computed using density functional perturbation theory (DFPT) with the ABINIT code to obtain phase transition curves and thermal equations of state of silica phases under pressure. We obtain excellent agreement with experiments for the metastable phase transition from quartz to stishovite. The local density approximation (LDA) incorrectly gives stishovite as the ground state. The generalized gradient approximation (GGA) correctly gives quartz as the ground state, but does worse than LDA for the equations of state. DMC, variational quantum Monte Carlo (VMC), and DFT all give good results for the ferroelastic transition of stishovite to the CaCl2 structure, and LDA or the WC exchange correlation potentials give good results within a given silica phase. The δV and δH from the CaCl2 structure to α-PbO2 is small, giving uncertainly in the theoretical transition pressure. It is interesting that DFT has trouble with silica transitions, although the electronic structures of silica are insulating, simple closed-shell with ionic/covalent bonding. It seems like the errors in DFT are from not precisely giving the ion sizes.

Threshold-voltage modulated phase change heterojunction for application of high density memory

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

Yan, Baihan; Tong, Hao, E-mail: tonghao@hust.edu.cn; Qian, Hang

2015-09-28

Phase change random access memory is one of the most important candidates for the next generation non-volatile memory technology. However, the ability to reduce its memory size is compromised by the fundamental limitations inherent in the CMOS technology. While 0T1R configuration without any additional access transistor shows great advantages in improving the storage density, the leakage current and small operation window limit its application in large-scale arrays. In this work, phase change heterojunction based on GeTe and n-Si is fabricated to address those problems. The relationship between threshold voltage and doping concentration is investigated, and energy band diagrams and X-raymore » photoelectron spectroscopy measurements are provided to explain the results. The threshold voltage is modulated to provide a large operational window based on this relationship. The switching performance of the heterojunction is also tested, showing a good reverse characteristic, which could effectively decrease the leakage current. Furthermore, a reliable read-write-erase function is achieved during the tests. Phase change heterojunction is proposed for high-density memory, showing some notable advantages, such as modulated threshold voltage, large operational window, and low leakage current.« less

Computing thermal Wigner densities with the phase integration method

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

Beutier, J.; Borgis, D.; Vuilleumier, R.

2014-08-28

We discuss how the Phase Integration Method (PIM), recently developed to compute symmetrized time correlation functions [M. Monteferrante, S. Bonella, and G. Ciccotti, Mol. Phys. 109, 3015 (2011)], can be adapted to sampling/generating the thermal Wigner density, a key ingredient, for example, in many approximate schemes for simulating quantum time dependent properties. PIM combines a path integral representation of the density with a cumulant expansion to represent the Wigner function in a form calculable via existing Monte Carlo algorithms for sampling noisy probability densities. The method is able to capture highly non-classical effects such as correlation among the momenta andmore » coordinates parts of the density, or correlations among the momenta themselves. By using alternatives to cumulants, it can also indicate the presence of negative parts of the Wigner density. Both properties are demonstrated by comparing PIM results to those of reference quantum calculations on a set of model problems.« less

Computing thermal Wigner densities with the phase integration method.

PubMed

Beutier, J; Borgis, D; Vuilleumier, R; Bonella, S

2014-08-28

We discuss how the Phase Integration Method (PIM), recently developed to compute symmetrized time correlation functions [M. Monteferrante, S. Bonella, and G. Ciccotti, Mol. Phys. 109, 3015 (2011)], can be adapted to sampling/generating the thermal Wigner density, a key ingredient, for example, in many approximate schemes for simulating quantum time dependent properties. PIM combines a path integral representation of the density with a cumulant expansion to represent the Wigner function in a form calculable via existing Monte Carlo algorithms for sampling noisy probability densities. The method is able to capture highly non-classical effects such as correlation among the momenta and coordinates parts of the density, or correlations among the momenta themselves. By using alternatives to cumulants, it can also indicate the presence of negative parts of the Wigner density. Both properties are demonstrated by comparing PIM results to those of reference quantum calculations on a set of model problems.

Imputation of Missing Genotypes From Sparse to High Density Using Long-Range Phasing

USDA-ARS?s Scientific Manuscript database

Related individuals in a population share long chromosome segments which trace to a common ancestor. We describe a long-range phasing algorithm that makes use of this property to phase whole chromosomes and simultaneously impute a large number of missing markers. We test our method by imputing marke...

On the role of precursor powder composition in controlling microstructure, flux pinning, and the critical current density of Ag/Bi2Sr2CaCu2Ox conductors

NASA Astrophysics Data System (ADS)

Li, Pei; Naderi, Golsa; Schwartz, Justin; Shen, Tengming

2017-03-01

Precursor powder composition is known to strongly affect the critical current density (J c) of Ag/Bi2Sr2CaCu2Ox (Bi-2212) wires. However, reasons for such J c dependence have not yet been fully understood, compromising our ability to achieve further optimization. We systematically examined superconducting properties, microstructural evolution and phase transformation, and grain boundaries of Bi-2212 conductors fabricated from precursor powders with a range of compositions using a combination of transport-current measurements, a quench technique to freeze microstructures at high temperatures during heat treatment, and scanning transmission electron microscopy (STEM). Samples include both dip-coated tapes and round wires, among which a commercial round wire carries a high J c of 7600 A mm-2 at 4.2 K, self-field and 2600 A mm-2 at 4.2 K, 20 T, respectively. In the melt, this high-J c conductor, made using a composition of Bi2.17Sr1.94Ca0.89Cu2Ox, contains a uniform dispersion of fine alkaline-earth cuprate (AEC) and copper-free solid phases, whereas several low-J c conductors contain large AEC particles. Such significant differences in the phase morphologies in the melt are accompanied by a drastic difference in the formation kinetics of Bi-2212 during recrystallization cooling. STEM studies show that Bi-2212 grain colonies in the high-J c conductors have a high density of Bi2Sr2CuO y (Bi-2201) intergrowths, whereas a low-J c conductor, made using Bi2.14Sr1.66Ca1.24Cu1.96O x , is nearly free of them. STEM investigation shows grain boundaries in low-J c conductors are often insulated with a Bi-rich amorphous phase. High-J c conductors also show higher flux-pinning strength, which we ascribe to their higher Bi-2201 intergrowth density.

Decoupling electron and ion storage and the path from interfacial storage to artificial electrodes

NASA Astrophysics Data System (ADS)

Chen, Chia-Chin; Maier, Joachim

2018-02-01

The requirements for rechargeable batteries place high demands on the electrodes. Efficient storage means accommodating both ions and electrons, not only in substantial amounts, but also with substantial velocities. The materials' space could be largely extended by decoupling the roles of ions and electrons such that transport and accommodation of ions take place in one phase of a composite, and transport and accommodation of electrons in the other phase. Here we discuss this synergistic concept being equally applicable for positive and negative electrodes along with examples from the literature for Li-based and Ag-based cells. Not only does the concept have the potential to mitigate the trade-off between power density and energy density, it also enables a generalized view of bulk and interfacial storage as necessary for nanocrystals. It furthermore allows for testable predictions of heterogeneous storage in passivation layers, dependence of transfer resistance on the state of charge, or heterogeneous storage of hydrogen at appropriate contacts. We also present an outlook on constructing artificial mixed-conductor electrodes that have the potential to achieve both high energy density and high power density.

Extended dynamic range of Doppler OCT by application of a new method to high density B-scans using a MHz FDML swept laser source (Conference Presentation)

NASA Astrophysics Data System (ADS)

Elahi, Sahar; Thrane, Lars; Rollins, Andrew M.; Jenkins, Michael W.

2017-02-01

The limited dynamic range of optical coherence tomography (OCT) Doppler velocity measurements makes it difficult to conduct experiments on samples requiring a large dynamic range without phase wrapping at high velocities or loss of sensitivity at slow velocities. Hemodynamics and wall motion undergo significant increases in velocity as the embryonic heart develops. Experimental studies indicate that altered hemodynamics in early-stage embryonic hearts can lead to congenital heart diseases (CHDs), motivating close monitoring of blood flow over several stages of development. We have built a high-speed OCT system using an FDML laser (Optores GmbH, Germany) at a sweep rate of 1.68 MHz (axial resolution - 12 μm, sensitivity - 105 dB, phase stability - 17 mrad). The speed of this OCT system allows us to acquire high-density B-scans to obtain an extended velocity dynamic range without sacrificing the frame rate (100 Hz). The extended dynamic range within a frame is achieved by varying the A-scan interval at which the phase difference is found, enabling detection of velocities ranging from tens of microns per second to hundreds of millimeters per second. The extra lines in a frame can also be utilized to improve the structural and Doppler images via complex averaging. In structural images where the presence of blood causes additional scattering, complex averaging helps retrieve features located deeper in the tissue. Moreover, high-density frames can be registered to 4D volumes to determine the orthogonal direction of flow for calculating shear stress as well as estimating the cardiac output. In conclusion, high density B-scans acquired by our high-speed OCT system enable image enhancement and direct measurement of biological parameters in cohort studies.

Self-assembly of hard helices: a rich and unconventional polymorphism.

PubMed

Kolli, Hima Bindu; Frezza, Elisa; Cinacchi, Giorgio; Ferrarini, Alberta; Giacometti, Achille; Hudson, Toby S; De Michele, Cristiano; Sciortino, Francesco

2014-11-07

Hard helices can be regarded as a paradigmatic elementary model for a number of natural and synthetic soft matter systems, all featuring the helix as their basic structural unit, from natural polynucleotides and polypeptides to synthetic helical polymers, and from bacterial flagella to colloidal helices. Here we present an extensive investigation of the phase diagram of hard helices using a variety of methods. Isobaric Monte Carlo numerical simulations are used to trace the phase diagram; on going from the low-density isotropic to the high-density compact phases a rich polymorphism is observed, exhibiting a special chiral screw-like nematic phase and a number of chiral and/or polar smectic phases. We present full characterization of the latter, showing that they have unconventional features, ascribable to the helical shape of the constituent particles. Equal area construction is used to locate the isotropic-to-nematic phase transition, and the results are compared with those stemming from an Onsager-like theory. Density functional theory is also used to study the nematic-to-screw-nematic phase transition; within the simplifying assumption of perfectly parallel helices, we compare different levels of approximation, that is second- and third-virial expansions and a Parsons-Lee correction.

Minimal color-flavor-locked-nuclear interface

NASA Astrophysics Data System (ADS)

Alford, Mark; Rajagopal, Krishna; Reddy, Sanjay; Wilczek, Frank

2001-10-01

At nuclear matter density, electrically neutral strongly interacting matter in weak equilibrium is made of neutrons, protons, and electrons. At sufficiently high density, such matter is made of up, down, and strange quarks in the color-flavor-locked (CFL) phase, with no electrons. As a function of increasing density (or, perhaps, increasing depth in a compact star) other phases may intervene between these two phases, which are guaranteed to be present. The simplest possibility, however, is a single first order phase transition between CFL and nuclear matter. Such a transition, in space, could take place either through a mixed phase region or at a single sharp interface with electron-free CFL and electron-rich nuclear matter in stable contact. Here we construct a model for such an interface. It is characterized by a region of separated charge, similar to an inversion layer at a metal-insulator boundary. On the CFL side, the charged boundary layer is dominated by a condensate of negative kaons. We then consider the energetics of the mixed phase alternative. We find that the mixed phase will occur only if the nuclear-CFL surface tension is significantly smaller than dimensional analysis would indicate.

Staging and laser acceleration of ions in underdense plasma

NASA Astrophysics Data System (ADS)

Ting, Antonio; Hafizi, Bahman; Helle, Michael; Chen, Yu-Hsin; Gordon, Daniel; Kaganovich, Dmitri; Polyanskiy, Mikhail; Pogorelsky, Igor; Babzien, Markus; Miao, Chenlong; Dover, Nicholas; Najmudin, Zulfikar; Ettlinger, Oliver

2017-03-01

Accelerating ions from rest in a plasma requires extra considerations because of their heavy mass. Low phase velocity fields or quasi-electrostatic fields are often necessary, either by operating above or near the critical density or by applying other slow wave generating mechanisms. Solid targets have been a favorite and have generated many good results. High density gas targets have also been reported to produce energetic ions. It is interesting to consider acceleration of ions in laser-driven plasma configurations that will potentially allow continuous acceleration in multiple consecutive stages. The plasma will be derived from gaseous targets, producing plasma densities slightly below the critical plasma density (underdense) for the driving laser. Such a plasma is experimentally robust, being repeatable and relatively transparent to externally injected ions from a previous stage. When optimized, multiple stages of this underdense laser plasma acceleration mechanism can progressively accelerate the ions to a high final energy. For a light mass ion such as the proton, relativistic velocities could be reached, making it suitable for further acceleration by high phase velocity plasma accelerators to energies appropriate for High Energy Physics applications. Negatively charged ions such as antiprotons could be similarly accelerated in this multi-staged ion acceleration scheme.

Phase relation of CaSO4 at high pressure and temperature up to 90 GPa and 2300 K

NASA Astrophysics Data System (ADS)

Fujii, Taku; Ohfuji, Hiroaki; Inoue, Toru

2016-05-01

Calcium sulfate (CaSO4), one of the major sulfate minerals in the Earth's crust, is expected to play a major role in sulfur recycling into the deep mantle. Here, we investigated the crystal structure and phase relation of CaSO4 up to ~90 GPa and 2300 K through a series of high-pressure experiments combined with in situ X-ray diffraction. CaSO4 forms three thermodynamically stable polymorphs: anhydrite (stable below 3 GPa), monazite-type phase (stable between 3 and ~13 GPa) and barite-type phase (stable up to at least 93 GPa). Anhydrite to monazite-type phase transition is induced by pressure even at room temperature, while monazite- to barite-type transition requires heating at least to 1500 K at ~20 GPa. The barite-type phase cannot always be quenched from high temperature and is distorted to metastable AgMnO4-type structure or another modified barite structure depending on pressure. We obtained the pressure-volume data and density of anhydrite, monazite- and barite-type phases and found that their densities are lower than those calculated from the PREM model in the studied P-T conditions. This suggests that CaSO4 is gravitationally unstable in the mantle and fluid/melt phase into which sulfur dissolves and/or sulfate-sulfide speciation may play a major role in the sulfur recycling into the deep Earth.

The phase diagram of solid hydrogen at high pressure: A challenge for first principles calculations

NASA Astrophysics Data System (ADS)

Azadi, Sam; Foulkes, Matthew

2015-03-01

We present comprehensive results for the high-pressure phase diagram of solid hydrogen. We focus on the energetically most favorable molecular and atomic crystal structures. To obtain the ground-state static enthalpy and phase diagram, we use semi-local and hybrid density functional theory (DFT) as well as diffusion quantum Monte Carlo (DMC) methods. The closure of the band gap with increasing pressure is investigated utilizing quasi-particle many-body calculations within the GW approximation. The dynamical phase diagram is calculated by adding proton zero-point energies (ZPE) to static enthalpies. Density functional perturbation theory is employed to calculate the proton ZPE and the infra-red and Raman spectra. Our results clearly demonstrate the failure of DFT-based methods to provide an accurate static phase diagram, especially when comparing insulating and metallic phases. Our dynamical phase diagram obtained using fully many-body DMC calculations shows that the molecular-to-atomic phase transition happens at the experimentally accessible pressure of 374 GPa. We claim that going beyond mean-field schemes to obtain derivatives of the total energy and optimize crystal structures at the many-body level is crucial. This work was supported by the UK engineering and physics science research council under Grant EP/I030190/1, and made use of computing facilities provided by HECTOR, and by the Imperial College London high performance computing centre.

High speed FPGA-based Phasemeter for the far-infrared laser interferometers on EAST

NASA Astrophysics Data System (ADS)

Yao, Y.; Liu, H.; Zou, Z.; Li, W.; Lian, H.; Jie, Y.

2017-12-01

The far-infrared laser-based HCN interferometer and POlarimeter/INTerferometer\\break (POINT) system are important diagnostics for plasma density measurement on EAST tokamak. Both HCN and POINT provide high spatial and temporal resolution of electron density measurement and used for plasma density feedback control. The density is calculated by measuring the real-time phase difference between the reference beams and the probe beams. For long-pulse operations on EAST, the calculation of density has to meet the requirements of Real-Time and high precision. In this paper, a Phasemeter for far-infrared laser-based interferometers will be introduced. The FPGA-based Phasemeter leverages fast ADCs to obtain the three-frequency signals from VDI planar-diode Mixers, and realizes digital filters and an FFT algorithm in FPGA to provide real-time, high precision electron density output. Implementation of the Phasemeter will be helpful for the future plasma real-time feedback control in long-pulse discharge.

Poisson-Boltzmann theory of the charge-induced adsorption of semi-flexible polyelectrolytes.

PubMed

Ubbink, Job; Khokhlov, Alexei R

2004-03-15

A model is suggested for the structure of an adsorbed layer of a highly charged semi-flexible polyelectrolyte on a weakly charged surface of opposite charge sign. The adsorbed phase is thin, owing to the effective reversal of the charge sign of the surface upon adsorption, and ordered, owing to the high surface density of polyelectrolyte strands caused by the generally strong binding between polyelectrolyte and surface. The Poisson-Boltzmann equation for the electrostatic interaction between the array of adsorbed polyelectrolytes and the charged surface is solved for a cylindrical geometry, both numerically, using a finite element method, and analytically within the weak curvature limit under the assumption of excess monovalent salt. For small separations, repulsive surface polarization and counterion osmotic pressure effects dominate over the electrostatic attraction and the resulting electrostatic interaction curve shows a minimum at nonzero separations on the Angstrom scale. The equilibrium density of the adsorbed phase is obtained by minimizing the total free energy under the condition of equality of chemical potential and osmotic pressure of the polyelectrolyte in solution and in the adsorbed phase. For a wide range of ionic conditions and charge densities of the charged surface, the interstrand separation as predicted by the Poisson-Boltzmann model and the analytical theory closely agree. For low to moderate charge densities of the adsorbing surface, the interstrand spacing decreases as a function of the charge density of the charged surface. Above about 0.1 M excess monovalent salt, it is only weakly dependent on the ionic strength. At high charge densities of the adsorbing surface, the interstrand spacing increases with increasing ionic strength, in line with the experiments by Fang and Yang [J. Phys. Chem. B 101, 441 (1997)]. (c) 2004 American Institute of Physics.

Periodic density modulation for quasi-phase-matching of optical frequency conversion is inefficient under shallow focusing and constant ambient pressure.

PubMed

Hadas, Itai; Bahabad, Alon

2016-09-01

The two main mechanisms of a periodic density modulation relevant to nonlinear optical conversion in a gas medium are spatial modulations of the index of refraction and of the number of emitters. For a one-dimensional model neglecting focusing and using a constant ambient pressure, it is shown theoretically and demonstrated numerically that the effects of these two mechanisms during frequency conversion cancel each other exactly. Under the considered conditions, this makes density modulation inefficient for quasi-phase-matching an optical frequency conversion process. This result is particularly relevant for high-order harmonic generation.

Liquid-liquid critical point in a simple analytical model of water.

PubMed

Urbic, Tomaz

2016-10-01

A statistical model for a simple three-dimensional Mercedes-Benz model of water was used to study phase diagrams. This model on a simple level describes the thermal and volumetric properties of waterlike molecules. A molecule is presented as a soft sphere with four directions in which hydrogen bonds can be formed. Two neighboring waters can interact through a van der Waals interaction or an orientation-dependent hydrogen-bonding interaction. For pure water, we explored properties such as molar volume, density, heat capacity, thermal expansion coefficient, and isothermal compressibility and found that the volumetric and thermal properties follow the same trends with temperature as in real water and are in good general agreement with Monte Carlo simulations. The model exhibits also two critical points for liquid-gas transition and transition between low-density and high-density fluid. Coexistence curves and a Widom line for the maximum and minimum in thermal expansion coefficient divides the phase space of the model into three parts: in one part we have gas region, in the second a high-density liquid, and the third region contains low-density liquid.

Liquid-liquid critical point in a simple analytical model of water

NASA Astrophysics Data System (ADS)

Urbic, Tomaz

2016-10-01

A statistical model for a simple three-dimensional Mercedes-Benz model of water was used to study phase diagrams. This model on a simple level describes the thermal and volumetric properties of waterlike molecules. A molecule is presented as a soft sphere with four directions in which hydrogen bonds can be formed. Two neighboring waters can interact through a van der Waals interaction or an orientation-dependent hydrogen-bonding interaction. For pure water, we explored properties such as molar volume, density, heat capacity, thermal expansion coefficient, and isothermal compressibility and found that the volumetric and thermal properties follow the same trends with temperature as in real water and are in good general agreement with Monte Carlo simulations. The model exhibits also two critical points for liquid-gas transition and transition between low-density and high-density fluid. Coexistence curves and a Widom line for the maximum and minimum in thermal expansion coefficient divides the phase space of the model into three parts: in one part we have gas region, in the second a high-density liquid, and the third region contains low-density liquid.

Anisotropic electrical conduction and reduction in dangling-bond density for polycrystalline Si films prepared by catalytic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Niikura, Chisato; Masuda, Atsushi; Matsumura, Hideki

1999-07-01

Polycrystalline Si (poly-Si) films with high crystalline fraction and low dangling-bond density were prepared by catalytic chemical vapor deposition (Cat-CVD), often called hot-wire CVD. Directional anisotropy in electrical conduction, probably due to structural anisotropy, was observed for Cat-CVD poly-Si films. A novel method to separately characterize both crystalline and amorphous phases in poly-Si films using anisotropic electrical conduction was proposed. On the basis of results obtained by the proposed method and electron spin resonance measurements, reduction in dangling-bond density for Cat-CVD poly-Si films was achieved using the condition to make the quality of the included amorphous phase high. The properties of Cat-CVD poly-Si films are found to be promising in solar-cell applications.

Characteristics of uranium carbonitride microparticles synthesized using different reaction conditions

NASA Astrophysics Data System (ADS)

Silva, Chinthaka M.; Lindemer, Terrence B.; Voit, Stewart R.; Hunt, Rodney D.; Besmann, Theodore M.; Terrani, Kurt A.; Snead, Lance L.

2014-11-01

Three sets of experimental conditions were tested to synthesize uranium carbonitride (UC1-xNx) kernels from gel-derived urania-carbon microspheres. Primarily, three sequences of gases were used, N2 to N2-4%H2 to Ar, Ar to N2 to Ar, and Ar-4%H2 to N2-4%H2 to Ar-4%H2. Physical and chemical characteristics such as geometrical density, phase purity, and chemical compositions of the synthesized UC1-xNx were measured. Single-phase kernels were commonly obtained with densities generally ranging from 85% to 93% TD and values of x as high as 0.99. In-depth analysis of the microstrutures of UC1-xNx has been carried out and is discussed with the objective of large batch fabrication of high density UC1-xNx kernels.

Asymmetric simple exclusion process on chains with a shortcut.

PubMed

Bunzarova, Nadezhda; Pesheva, Nina; Brankov, Jordan

2014-03-01

We consider the asymmetric simple exclusion process (TASEP) on an open network consisting of three consecutively coupled macroscopic chain segments with a shortcut between the tail of the first segment and the head of the third one. The model was introduced by Y.-M. Yuan et al. [J. Phys. A 40, 12351 (2007)] to describe directed motion of molecular motors along twisted filaments. We report here unexpected results which revise the previous findings in the case of maximum current through the network. Our theoretical analysis, based on the effective rates' approximation, shows that the second (shunted) segment can exist in both low- and high-density phases, as well as in the coexistence (shock) phase. Numerical simulations demonstrate that the last option takes place in finite-size networks with head and tail chains of equal length, provided the injection and ejection rates at their external ends are equal and greater than one-half. Then the local density distribution and the nearest-neighbor correlations in the middle chain correspond to a shock phase with completely delocalized domain wall. Upon moving the shortcut to the head or tail of the network, the density profile takes a shape typical of a high- or low-density phase, respectively. Surprisingly, the main quantitative parameters of that shock phase are governed by a positive root of a cubic equation, the coefficients of which linearly depend on the probability of choosing the shortcut. Alternatively, they can be expressed in a universal way through the shortcut current. The unexpected conclusion is that a shortcut in the bulk of a single lane may create traffic jams.

DARPA Advanced High Current Density Cathodes for Defense Applications: Development Phase

DTIC Science & Technology

1993-03-01

Project Number 01-0624-07-0857 Report Number SAIC-93/1018 March 1, 1993 Science Apphcations Internatia Corporation An Employee-Owned Company OTIC a...Density Cathodes for Defense Applications: Development Phase FINAL REPORT Contract Number N00014-90-C-2118 Project Number 01-0624-07-0857 Report...of a typical Si-TaSi2 boule used for the eutectic advanced cathode materials in this project . The seed for the boule is at right in the photograph. v

High electric breakdown strength and energy density in vinylidene fluoride oligomer/poly(vinylidene fluoride) blend thin films

NASA Astrophysics Data System (ADS)

Rahimabady, Mojtaba; Chen, Shuting; Yao, Kui; Eng Hock Tay, Francis; Lu, Li

2011-10-01

Dense α-phase blend films of vinylidene fluoride (VDF) oligomer and poly(vinylidene fluoride) (PVDF) of various compositions were prepared from chemical solution deposition. The dielectric constant of the films was unexpectedly lower, and the mechanical strength was higher than either of the two components, leading to high electromechanical dielectric breakdown strength (>850 MV/m vs. 300˜500 MV/m for typical PVDF-based films). The properties were attributed to the unique blend structure with high crystallinity and densely packed rigid amorphous phase incorporating long and short chains. A maximum polarization of 162 mC/m2 and a large electric energy density up to 27.3 J/cm3 were obtained.

Phase separation in the t-J model. [in theory of high-temperature superconductors

NASA Technical Reports Server (NTRS)

Emery, V. J.; Lin, H. Q.; Kivelson, S. A.

1990-01-01

A detailed understanding of the motion of 'holes' in an antiferromagnet is of fundamental importance for the theory of high-temperature superconductors. It is shown here that, for the t-J model, dilute holes in an antiferromagnet are unstable against phase separation into a hole-rich and a no-hole phase. When the spin-exchange interaction J exceeds a critical value Jc, the hole-rich phase has no electrons. It is proposed that, for J slightly less than Jc, the hole-rich phase is a low-density superfluid of electron pairs. Phase separation in related models is briefly discussed.

Application of the phase extension method in virus crystallography.

PubMed

Reddy, Vijay S

2016-01-01

The procedure for phase extension (PX) involves gradually extending the initial phases from low resolution (e.g., ~8Å) to the high-resolution limit of a diffraction data set. Structural redundancy present in the viral capsids that display icosahedral symmetry results in a high degree of non-crystallographic symmetry (NCS), which in turn translates into higher phasing power and is critical for improving and extending phases to higher resolution. Greater completeness of the diffraction data and determination of a molecular replacement solution, which entails accurately identifying the virus particle orientation(s) and position(s), are important for the smooth progression of the PX procedure. In addition, proper definition of a molecular mask (envelope) around the NCS-asymmetric unit has been found to be important for the success of density modification procedures, such as density averaging and solvent flattening. Regardless of the degree of NCS, the PX method appears to work well in all space groups, provided an accurate molecular mask is used along with reasonable initial phases. However, in the cases with space group P1, in addition to requiring a molecular mask, starting the phase extension at a higher resolution (e.g., 6Å) overcame the previously reported problems due to Babinet phases and phase flipping errors.

First-principles phase stability at high temperatures and pressure in Nb 90Zr 10 alloy

DOE PAGES

Landa, A.; Soderlind, P.

2016-08-18

The phase stability of Nb 90Zr 10 alloy at high temperatures and compression is explored by means of first-principles electronic-structure calculations. Utilizing the self-consistent ab initio lattice dynamics (SCAILD) approach in conjunction with density-functional theory, we show that pressure-induced mechanical instability of the body-centered cubic phase, which results in formation of a rhombohedral phase at around 50 GPa, will prevail significant heating. As a result, the body-centered cubic structure will recover before melting at ~1800 K.

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

Xu, Gui -Liang; Amine, Rachid; Xu, Yue -Feng

Cathode materials are critical to the energy density, power density and safety of sodium-ion batteries (SIBs). Herein, we performed a comprehensive study to elucidate and exemplify the interplay mechanism between phase structures, interfacial microstrain and electrochemical properties of layered-structured Na xNi 1/3Co 1/3Mn 1/3O 2 cathode materials for high voltage SIBs. The electrochemical test results showed that Na xNi 1/3Co 1/3Mn 1/3O 2 with an intergrowth P2/O3/O1 structure demonstrates better electrochemical performance and better thermal stability than Na xNi 1/3Co 1/3Mn 1/3O 2 with P2/O3 binary-phase integration and Na xNi 1/3Co 1/3Mn 1/3O 2 where only the P phase ismore » dominant. This result is caused by the distinct interfacial microstrain development during the synthesis and cycling of the P2/O3/O1 phase. In operando high energy X-ray diffraction further revealed that the intergrowth P2/O1/O3 cathode can inhibit the irreversible P2–O2 phase transformation and simultaneously improve the structure stability of the O3 and O1 phases during cycling. Here, we believe that interfacial microstrain can serve as an indispensable bridge to guide future design and synthesis of high performance SIB cathode materials and other high energy battery materials.« less

Vacancy-mediated fcc/bcc phase separation in Fe1 -xNix ultrathin films

NASA Astrophysics Data System (ADS)

Menteş, T. O.; Stojić, N.; Vescovo, E.; Ablett, J. M.; Niño, M. A.; Locatelli, A.

2016-08-01

The phase separation occurring in Fe-Ni thin films near the Invar composition is studied by using high-resolution spectromicroscopy techniques and density functional theory calculations. Annealed at temperatures around 300 ∘C ,Fe0.70Ni0.30 films on W(110) break into micron-sized bcc and fcc domains with compositions in agreement with the bulk Fe-Ni phase diagram. Ni is found to be the diffusing species in forming the chemical heterogeneity. The experimentally determined energy barrier of 1.59 ±0.09 eV is identified as the vacancy formation energy via density functional theory calculations. Thus, the principal role of the surface in the phase separation process is attributed to vacancy creation without interstitials.

Co removal and phase transformations during high power diode laser irradiation of cemented carbide

NASA Astrophysics Data System (ADS)

Barletta, M.; Rubino, G.; Gisario, A.

2011-02-01

The use of a continuous wave-high power diode laser for removing surface Co-binder from Co-cemented tungsten carbide (WC-Co (5.8 wt%.)) hardmetal slabs was investigated. Combined scanning electron microscopy, energy dispersive X-ray spectroscopy and X-ray diffraction analyses were performed in order to study the phase transformations and micro-structural modifications of the WC-Co substrates occurring during and after laser irradiation. The micro-structure of the WC-Co progressively transforms as energy density increased, exhibiting stronger removal of Co and WC grain growth. At very high energy density, local melting of the WC grains with the formation of big agglomerates of interlaced grains is observed, and the crystalline structure of the irradiated substrate shows the presence of a brittle ternary eutectic phase of W, Co and C (often referred to as the η-phase). The latter can be detrimental to the mechanical properties of WC-Co. Therefore, the proper adjustment of the laser processing parameters plays a crucial role in surface treatments of WC-Co substrates prior to post-processing like diamond deposition.

Probing density and spin correlations in two-dimensional Hubbard model with ultracold fermions

NASA Astrophysics Data System (ADS)

Chan, Chun Fai; Drewes, Jan Henning; Gall, Marcell; Wurz, Nicola; Cocchi, Eugenio; Miller, Luke; Pertot, Daniel; Brennecke, Ferdinand; Koehl, Michael

2017-04-01

Quantum gases of interacting fermionic atoms in optical lattices is a promising candidate to study strongly correlated quantum phases of the Hubbard model such as the Mott-insulator, spin-ordered phases, or in particular d-wave superconductivity. We experimentally realise the two-dimensional Hubbard model by loading a quantum degenerate Fermi gas of 40 K atoms into a three-dimensional optical lattice geometry. High-resolution absorption imaging in combination with radiofrequency spectroscopy is applied to spatially resolve the atomic distribution in a single 2D layer. We investigate in local measurements of spatial correlations in both the density and spin sector as a function of filling, temperature and interaction strength. In the density sector, we compare the local density fluctuations and the global thermodynamic quantities, and in the spin sector, we observe the onset of non-local spin correlation, signalling the emergence of the anti-ferromagnetic phase. We would report our recent experimental endeavours to investigate further down in temperature in the spin sector.

EVALUATION OF TECHNOLOGIES FOR IN SITU CLEANUP OF DNAPL CONTAMINATED SITES

EPA Science Inventory

Ground-water contamination by nonaqueous phase liquids poses one of the greatest remedial challenges In the field of environmental engineering. Denser-than-water nonaqueous phase liquids (DNAPLs) are especially problematic due to their tow water solubility, high density, and capi...

Plasmon modes of bilayer molybdenum disulfide: a density functional study

NASA Astrophysics Data System (ADS)

Torbatian, Z.; Asgari, R.

2017-11-01

We explore the collective electronic excitations of bilayer molybdenum disulfide (MoS2) using density functional theory together with random phase approximation. The many-body dielectric function and electron energy-loss spectra are calculated using an ab initio based model involving material-realistic physical properties. The electron energy-loss function of the bilayer MoS2 system is found to be sensitive to either electron or hole doping and this is due to the fact that the Kohn-Sham band dispersions are not symmetric for energies above and below the zero Fermi level. Three plasmon modes are predicted, a damped high-energy mode, one optical mode (in-phase mode) for which the plasmon dispersion exhibits \\sqrt q in the long wavelength limit originating from low-energy electron scattering and finally a highly damped acoustic mode (out-of-phase mode).

Fabrication of high-density In3Sb1Te2 phase change nanoarray on glass-fabric reinforced flexible substrate

NASA Astrophysics Data System (ADS)

Yoon, Jong Moon; Shin, Dong Ok; Yin, You; Seo, Hyeon Kook; Kim, Daewoon; In Kim, Yong; Jin, Jung Ho; Kim, Yong Tae; Bae, Byeong-Soo; Ouk Kim, Sang; Lee, Jeong Yong

2012-06-01

Mushroom-shaped phase change memory (PCM) consisting of a Cr/In3Sb1Te2 (IST)/TiN (bottom electrode) nanoarray was fabricated via block copolymer lithography and single-step dry etching with a gas mixture of Ar/Cl2. The process was performed on a high performance transparent glass-fabric reinforced composite film (GFR Hybrimer) suitable for use as a novel substrate for flexible devices. The use of GFR Hybrimer with low thermal expansion and flat surfaces enabled successful nanoscale patterning of functional phase change materials on flexible substrates. Block copolymer lithography employing asymmetrical block copolymer blends with hexagonal cylindrical self-assembled morphologies resulted in the creation of hexagonal nanoscale PCM cell arrays with an areal density of approximately 176 Gb/in2.

Terrestrial habitat selection and strong density-dependent mortality in recently metamorphosed amphibians.

PubMed

Patrick, David A; Harper, Elizabeth B; Hunter, Malcolm L; Calhoun, Aram J K

2008-09-01

To predict the effects of terrestrial habitat change on amphibian populations, we need to know how amphibians respond to habitat heterogeneity, and whether habitat choice remains consistent throughout the life-history cycle. We conducted four experiments to evaluate how the spatial distribution of juvenile wood frogs, Rana sylvatica (including both overall abundance and localized density), was influenced by habitat choice and habitat structure, and how this relationship changed with spatial scale and behavioral phase. The four experiments included (1) habitat manipulation on replicated 10-ha landscapes surrounding breeding pools; (2) short-term experiments with individual frogs emigrating through a manipulated landscape of 1 m wide hexagonal patches; and habitat manipulations in (3) small (4-m2); and (4) large (100-m2) enclosures with multiple individuals to compare behavior both during and following emigration. The spatial distribution of juvenile wood frogs following emigration resulted from differences in the scale at which juvenile amphibians responded to habitat heterogeneity during active vs. settled behavioral phases. During emigration, juvenile wood frogs responded to coarse-scale variation in habitat (selection between 2.2-ha forest treatments) but not to fine-scale variation. After settling, however, animals showed habitat selection at much smaller scales (2-4 m2). This resulted in high densities of animals in small patches of suitable habitat where they experienced rapid mortality. No evidence of density-dependent habitat selection was seen, with juveniles typically choosing to remain at extremely high densities in high-quality habitat, rather than occupying low-quality habitat. These experiments demonstrate how prediction of the terrestrial distribution of juvenile amphibians requires understanding of the complex behavioral responses to habitat heterogeneity. Understanding these patterns is important, given that human alterations to amphibian habitats may generate extremely high densities of animals, resulting in high density-dependent mortality.

On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures.

PubMed

Santra, Biswajit; Klimes, Jirí; Tkatchenko, Alexandre; Alfè, Dario; Slater, Ben; Michaelides, Angelos; Car, Roberto; Scheffler, Matthias

2013-10-21

Density-functional theory (DFT) has been widely used to study water and ice for at least 20 years. However, the reliability of different DFT exchange-correlation (xc) functionals for water remains a matter of considerable debate. This is particularly true in light of the recent development of DFT based methods that account for van der Waals (vdW) dispersion forces. Here, we report a detailed study with several xc functionals (semi-local, hybrid, and vdW inclusive approaches) on ice Ih and six proton ordered phases of ice. Consistent with our previous study [B. Santra, J. Klimeš, D. Alfè, A. Tkatchenko, B. Slater, A. Michaelides, R. Car, and M. Scheffler, Phys. Rev. Lett. 107, 185701 (2011)] which showed that vdW forces become increasingly important at high pressures, we find here that all vdW inclusive methods considered improve the relative energies and transition pressures of the high-pressure ice phases compared to those obtained with semi-local or hybrid xc functionals. However, we also find that significant discrepancies between experiment and the vdW inclusive approaches remain in the cohesive properties of the various phases, causing certain phases to be absent from the phase diagram. Therefore, room for improvement in the description of water at ambient and high pressures remains and we suggest that because of the stern test the high pressure ice phases pose they should be used in future benchmark studies of simulation methods for water.

Insights into the structural effects of layered cathode materials for high voltage sodium-ion batteries

DOE PAGES

Xu, Gui -Liang; Amine, Rachid; Xu, Yue -Feng; ...

2017-06-08

Cathode materials are critical to the energy density, power density and safety of sodium-ion batteries (SIBs). Herein, we performed a comprehensive study to elucidate and exemplify the interplay mechanism between phase structures, interfacial microstrain and electrochemical properties of layered-structured Na xNi 1/3Co 1/3Mn 1/3O 2 cathode materials for high voltage SIBs. The electrochemical test results showed that Na xNi 1/3Co 1/3Mn 1/3O 2 with an intergrowth P2/O3/O1 structure demonstrates better electrochemical performance and better thermal stability than Na xNi 1/3Co 1/3Mn 1/3O 2 with P2/O3 binary-phase integration and Na xNi 1/3Co 1/3Mn 1/3O 2 where only the P phase ismore » dominant. This result is caused by the distinct interfacial microstrain development during the synthesis and cycling of the P2/O3/O1 phase. In operando high energy X-ray diffraction further revealed that the intergrowth P2/O1/O3 cathode can inhibit the irreversible P2–O2 phase transformation and simultaneously improve the structure stability of the O3 and O1 phases during cycling. Here, we believe that interfacial microstrain can serve as an indispensable bridge to guide future design and synthesis of high performance SIB cathode materials and other high energy battery materials.« less

Dense crystalline packings of ellipsoids

NASA Astrophysics Data System (ADS)

Jin, Weiwei; Jiao, Yang; Liu, Lufeng; Yuan, Ye; Li, Shuixiang

2017-03-01

An ellipsoid, the simplest nonspherical shape, has been extensively used as a model for elongated building blocks for a wide spectrum of molecular, colloidal, and granular systems. Yet the densest packing of congruent hard ellipsoids, which is intimately related to the high-density phase of many condensed matter systems, is still an open problem. We discover an unusual family of dense crystalline packings of self-dual ellipsoids (ratios of the semiaxes α : √{α }:1 ), containing 24 particles with a quasi-square-triangular (SQ-TR) tiling arrangement in the fundamental cell. The associated packing density ϕ exceeds that of the densest known SM2 crystal [ A. Donev et al., Phys. Rev. Lett. 92, 255506 (2004), 10.1103/PhysRevLett.92.255506] for aspect ratios α in (1.365, 1.5625), attaining a maximal ϕ ≈0.758 06 ... at α = 93 /64 . We show that the SQ-TR phase derived from these dense packings is thermodynamically stable at high densities over the aforementioned α range and report a phase diagram for self-dual ellipsoids. The discovery of the SQ-TR crystal suggests organizing principles for nonspherical particles and self-assembly of colloidal systems.

Theoretical calculations of high-pressure phases of NiF2: An ab initio constant-pressure study

NASA Astrophysics Data System (ADS)

Kürkçü, Cihan; Merdan, Ziya; Öztürk, Hülya

2016-12-01

We have studied the structural properties of the antiferromagnetic NiF2 tetragonal structure with P42/ mnm symmetry using density functional theory (DFT) under rapid hydrostatic pressure up to 400 GPa. For the exchange correlation energy we used the local density approximation (LDA) of Ceperley and Alder (CA). Two phase transformations are successfully observed through the simulations. The structures of XF2-type compounds crystallize in rutile-type structure. NiF2 undergoes phase transformations from the tetragonal rutile-type structure with space group P42/ mnm to orthorhombic CaCl2-type structure with space group Pnnm and from this orthorhombic phase to monoclinic structure with space group C2/ m at 152 GPa and 360 GPa, respectively. These phase changes are also studied by total energy and enthalpy calculations. According to these calculations, we perdict these phase transformations at about 1.85 and 30 GPa.

Influence of natural fibers on the phase transitions in high-density polyethylene composites using dynamic mechanical analysis

Treesearch

Mehdi Tajvidi; Robert H. Falk; John C. Hermanson; Colin Felton

2003-01-01

Dynamic mechanical analysis was employed to evaluate the performance of various natural fibers in high-density polyethylene composites. Kenaf, newsprint, rice hulls, and wood flour were sources of fiber. Composites were made at 25 percent and 50 percent by weight fiber contents. Maleic anhydride modified polyethylene was also added at 1:25 ratio to the fiber....

Multiplexed highly sensitive detections of cancer biomarkers in thermal space using encapsulated phase change nanoparticles

NASA Astrophysics Data System (ADS)

Ma, Liyuan; Hong, Yan; Ma, Zeyu; Kaittanis, Charalambos; Perez, J. Manuel; Su, Ming

2009-07-01

We describe a multiplexed highly sensitive method to detect cancer biomarkers using silica encapsulated phase change nanoparticles as thermal barcodes. During phase changes, nanoparticles absorb heat energy without much temperature rise and show sharp melting peaks (0.6 °C). A series of phase change nanoparticles of metals or alloys can be synthesized in such a way that they melt between 100 and 700 °C, thus the multiplicity could reach 1000. The method has high sensitivity (8 nM) that can be enhanced using materials with large latent heat, nanoparticles with large diameter, or reducing the grafting density of biomolecules on nanoparticles.

Multiple-relaxation-time color-gradient lattice Boltzmann model for simulating two-phase flows with high density ratio

NASA Astrophysics Data System (ADS)

Ba, Yan; Liu, Haihu; Li, Qing; Kang, Qinjun; Sun, Jinju

2016-08-01

In this paper we propose a color-gradient lattice Boltzmann (LB) model for simulating two-phase flows with high density ratio and high Reynolds number. The model applies a multirelaxation-time (MRT) collision operator to enhance the stability of the simulation. A source term, which is derived by the Chapman-Enskog analysis, is added into the MRT LB equation so that the Navier-Stokes equations can be exactly recovered. Also, a form of the equilibrium density distribution function is used to simplify the source term. To validate the proposed model, steady flows of a static droplet and the layered channel flow are first simulated with density ratios up to 1000. Small values of spurious velocities and interfacial tension errors are found in the static droplet test, and improved profiles of velocity are obtained by the present model in simulating channel flows. Then, two cases of unsteady flows, Rayleigh-Taylor instability and droplet splashing on a thin film, are simulated. In the former case, the density ratio of 3 and Reynolds numbers of 256 and 2048 are considered. The interface shapes and spike and bubble positions are in good agreement with the results of previous studies. In the latter case, the droplet spreading radius is found to obey the power law proposed in previous studies for the density ratio of 100 and Reynolds number up to 500.

The radiation belts and ring current: the relationship between Dst and relativistic electron phase space density

NASA Astrophysics Data System (ADS)

Grande, M.; Carter, M.; Perry, C. H.

2002-03-01

We briefly review the radiation belts, before moving on to a more detailed examination of the relationship between the Disturbance Storm Time Index (Dst) and relativistic electron flux. We show that there is a strong correlation between the growth phase of storms, as represented by Dst, and dropouts in electron flux. Recovery is accompanied by growth of the electron flux. We calculate Electron Phase Space Density (PSD) as a function of adiabatic invariants using electron particle mesurements from the Imaging Electron Sensor (IES) and the High Sensitivity Telescope (HIST) on the CEPPAD experiment onboard POLAR. We present the time history of the phase space density through the year 1998 as L-sorted plots and look in detail at the May 98 storm. Comparison with the Tsyganenko 96 magnetic field model prediction for the last closed field line suggests that the loss of electrons may be directly caused by the opening of drift shells.

Real-time observation of fluctuations in a driven-dissipative quantum many-body system undergoing a phase transition

NASA Astrophysics Data System (ADS)

Donner, Tobias

2015-03-01

A Bose-Einstein condensate whose motional degrees of freedom are coupled to a high-finesse optical cavity via a transverse pump beam constitutes a dissipative quantum many-body system with long range interactions. These interactions can induce a structural phase transition from a flat to a density-modulated state. The transverse pump field simultaneously represents a probe of the atomic density via cavity- enhanced Bragg scattering. By spectrally analyzing the light field leaking out of the cavity, we measure non-destructively the dynamic structure factor of the fluctuating atomic density while the system undergoes the phase transition. An observed asymmetry in the dynamic structure factor is attributed to the coupling to dissipative baths. Critical exponents for both sides of the phase transition can be extracted from the data. We further discuss our progress in adding strong short-range interactions to this system, in order to explore Bose-Hubbard physics with cavity-mediated long-range interactions and self-organization in lower dimensions.

Defense Small Business Innovation Research Program (SBIR). Volume 4. ARPA, DNA, BMDO, and SOC0M Abstracts of Phase 1 Awards 1993

DTIC Science & Technology

1993-01-01

C-R248 Phone: (619) 455-9741 PI: DAVID ANDING Title: Method for Incorporating High -Fidelity Engineering Models Into Distributed Simulations Abstract...Ferroelectric Capacitors for Pulse Power Electronics Abstract: High -density energy storage and fast discharge will be critical in a variety of high ...to meet the design objectives of High Energy Density Capacitors (HEDC) for energy storage in pulsed power systems (15 to 45 mJ/kg). In the proposed

Density functional simulations of Sb-rich GeSbTe phase change alloys.

PubMed

Gabardi, S; Caravati, S; Bernasconi, M; Parrinello, M

2012-09-26

We generated models of the amorphous phase of Sb-rich GeSbTe phase change alloys by quenching from the melt within density functional molecular dynamics. We considered the two compositions Ge(1)Sb(1)Te(1) and Ge(2)Sb(4)Te(5). Comparison with previous results on the most studied Ge(2)Sb(2)Te(5) allowed us to draw some conclusions on the dependence of the structural properties of the amorphous phase on the alloy composition. Vibrational and electronic properties were also scrutinized. Phonons at high frequencies above 200 cm(-1) are localized in tetrahedra around Ge atoms in Sb-rich compounds as well as in Ge(2)Sb(2)Te(5). All compounds are semiconducting in the amorphous phase, with a band gap in the range 0.7-1.0 eV.

Density functional simulations of Sb-rich GeSbTe phase change alloys

NASA Astrophysics Data System (ADS)

Gabardi, S.; Caravati, S.; Bernasconi, M.; Parrinello, M.

2012-09-01

We generated models of the amorphous phase of Sb-rich GeSbTe phase change alloys by quenching from the melt within density functional molecular dynamics. We considered the two compositions Ge1Sb1Te1 and Ge2Sb4Te5. Comparison with previous results on the most studied Ge2Sb2Te5 allowed us to draw some conclusions on the dependence of the structural properties of the amorphous phase on the alloy composition. Vibrational and electronic properties were also scrutinized. Phonons at high frequencies above 200 cm-1 are localized in tetrahedra around Ge atoms in Sb-rich compounds as well as in Ge2Sb2Te5. All compounds are semiconducting in the amorphous phase, with a band gap in the range 0.7-1.0 eV.

Nature of metastable amorphous-to-crystalline reversible phase transformations in GaSb

NASA Astrophysics Data System (ADS)

Kalkan, B.; Edwards, T. G.; Raoux, S.; Sen, S.

2013-08-01

The structural, thermodynamic, and kinetic aspects of the transformations between the metastable amorphous and crystalline phases of GaSb are investigated as a function of pressure at ambient temperature using synchrotron x-ray diffraction experiments in a diamond anvil cell. The results are consistent with the hypothesis that the pressure induced crystallization of amorphous GaSb into the β-Sn crystal structure near ˜5 GPa is possibly a manifestation of an underlying polyamorphic phase transition between a semiconducting, low density and a metallic, high density amorphous (LDA and HDA, respectively) phases. In this scenario, the large differences in the thermal crystallization kinetics between amorphous GaSb deposited in thin film form by sputtering and that prepared by laser melt quenching may be related to the relative location of the glass transition temperature of the latter in the pressure-temperature (P-T) space with respect to the location of the critical point that terminate the LDA ↔ HDA transition. The amorphous → β-Sn phase transition is found to be hysteretically reversible as the β-Sn phase undergoes decompressive amorphization near ˜2 GPa due to the lattice instabilities that give rise to density fluctuations in the crystal upon decompression.

Microstructure characterization via stereological relations — A shortcut for beginners

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

Pabst, Willi, E-mail: pabstw@vscht.cz; Gregorová, Eva; Uhlířová, Tereza

Stereological relations that can be routinely applied for the quantitative characterization of microstructures of heterogeneous single- and two-phase materials via global microstructural descriptors are reviewed. It is shown that in the case of dense, single-phase polycrystalline materials (e.g., transparent yttrium aluminum garnet ceramics) two quantities have to be determined, the interface density (or, equivalently, the mean chord length of the grains) and the mean curvature integral density (or, equivalently, the Jeffries grain size), while for two-phase materials (e.g., highly porous, cellular alumina ceramics), one additional quantity, the volume fraction (porosity), is required. The Delesse–Rosiwal law is recalled and size measuresmore » are discussed. It is shown that the Jeffries grain size is based on the triple junction line length density, while the mean chord length of grains is based on the interface density (grain boundary area density). In contrast to widespread belief, however, these two size measures are not alternative, but independent (and thus complementary), measures of grain size. Concomitant with this fact, a clear distinction between linear and planar grain size numbers is proposed. Finally, based on our concept of phase-specific quantities, it is shown that under certain conditions it is possible to define a Jeffries size also for two-phase materials and that the ratio of the mean chord length and the Jeffries size has to be considered as an invariant number for a certain type of microstructure, i.e., a characteristic value that is independent of the absolute size of the microstructural features (e.g., grains, inclusions or pores). - Highlights: • Stereology-based image analysis is reviewed, including error considerations. • Recipes are provided for measuring global metric microstructural descriptors. • Size measures are based on interface density and mean curvature integral density. • Phase-specific quantities and a generalized Jeffries size are introduced. • Linear and planar grain size numbers are clearly distinguished and explained.« less

EVALUATION OF TECHNOLOGIES FOR IN SITU CLEANUP OF DNAPL CONTAMINATED SITES

EPA Science Inventory

Ground water contamination by non-aqueous phase liquids poses one of the greatest remedial challenges in the field of environmental engineering. Denser-than-water non-aqueous phase liquids (DNAPLs) are especially problematic due to their low water solubility, high density, an...

Characteristics of dislocation structure in creep deformed lamellar tial alloy within primary regime

NASA Astrophysics Data System (ADS)

Cho, H. S.; Nam, Soo W.

1999-06-01

In this investigation, dislocations of a lamellar TiAl alloy are analyzed after creeping in the primary range at 800°C/200MPa in order to interpret their mobility It was found that the dislocation density in γ-laths decreased as the creep deformation proceeds within primary creep regime Schmid factor analysis suggests that the creep deformation in the early stage of the primary creep regime is controlled by the gliding of some of the initial dislocations which have a high enough Schmid factor As the creep deformation progressed, those dislocations with high Schmid factors slip preferentially to be annihilated at the α-γ interface For further continuous deformation, dislocation generation is required, and for this, α-phase is transformed to γ-phase in order to generate new dislocations A slow dislocation generation process by phase transformation of α-phase compared with the absorbing rate to sinks is responsible for the decreasing dislocation density as the creep strain increases

OT2_dlis_3: Ammonia as a Tracer of the Earliest Stages of Star Formation

NASA Astrophysics Data System (ADS)

Lis, D.

2011-09-01

Stars form in molecular cloud cores, cold and dense regions enshrouded by dust. The initiation of this process is among the least understood steps of star formation. High!resolution heterodyne spectroscopy provides invaluable information about the physical conditions (density, temperature), kinematics (infall, outflows), and chemistry of these regions. Classical molecular tracers, such CO, CS, and many other abundant gas!phase species, have been shown to freeze out onto dust grain mantles in pre!stellar cores. However, N!bearing species, in particular ammonia, are much less affected by depletion and are observed to stay in the gas phase at densities in excess of 1e6 cm!3. The molecular freeze!out has important consequences for the chemistry of dense gas. In particular, the depletion of abundant gas!phase species with heavy atoms drives up abundances of deuterated H3+ isotopologues, which in turn results in spectacular deuteration levels of molecules that do remain in the gas phase. Consequently, lines of deuterated N!bearing species, in particular the fundamental lines of ammonia isotopologues, having very high critical densities, are optimum tracers of innermost regions of dense cores. We propose to study the morphology, density structure and kinematics of cold and dense cloud cores, by mapping the spatial distribution of ammonia isotopologues in isolated dense pre!stellar cores using Herschel/HIFI. These observations provide optimum probes of the onset of star formation, as well as the physical processes that control gas!grain interaction, freeze!out, mantle ejection and deuteration. The sensitive, high!resolution spectra acquired within this program will be analyzed using sophisticated radiative transfer models and compared with outputs of state!of!the!art 3D MHD simulations and chemical models developed by the members of our team.

Near infrared study of water-benzene mixtures at high temperatures and pressures.

PubMed

Jin, Yusuke; Ikawa, Shun-Ichi

2004-08-08

Near-infrared absorption of water-benzene mixtures has been measured at temperatures and pressures in the ranges of 473-673 K and 100-400 bar, respectively. Concentrations of water and benzene in the water-rich phase of the mixtures were obtained from the integrated absorption intensities of the OH stretching overtone transition of water and the CH stretching overtone transition of benzene, respectively. Using these concentrations, the densities of the water-rich phase were estimated and compared with the average densities before mixing, which were calculated from literature densities of neat water and neat benzene. It is found that anomalously large volume expansion on the mixing occurs in the region enclosed by an extended line of the three-phase equilibrium curve and the one-phase critical curve of the mixtures, and the gas-liquid equilibrium curve of water. Furthermore, magnitude of the relative volume change increases with decreasing molar fraction of benzene in the present experimental range. It is suggested that dissolving a small amount of benzene in water induces a change in the fluid density from a liquidlike condition to a gaslike condition in the vicinity of the critical region.

Conventional and phase contrast x-ray imaging techniques and ultrasound imaging method in breast tumor detection: initial comparison studies using phantom

NASA Astrophysics Data System (ADS)

Guo, Yuran; Wu, Di; Omoumi, Farid H.; Li, Yuhua; Wong, Molly Donovan; Ghani, Muhammad U.; Zheng, Bin; Liu, Hong

2018-02-01

The objective of this study was to demonstrate the capability of the high-energy in-line phase contrast imaging in detecting the breast tumors which are undetectable by conventional x-ray imaging but detectable by ultrasound. Experimentally, a CIRS multipurpose breast phantom with heterogeneous 50% glandular and 50% adipose breast tissue was imaged by high-energy in-line phase contrast system, conventional x-ray system and ultrasonography machine. The high-energy in-line phase contrast projection was acquired at 120 kVp, 0.3 mAs with the focal spot size of 18.3 μm. The conventional x-ray projection was acquired at 40 kVp, 3.3 mAs with the focal spot size of 22.26 μm. Both of the x-ray imaging acquisitions were conducted with a unique mean glandular dose of 0.08 mGy. As the result, the high-energy in-line phase contrast system was able to detect one lesion-like object which was also detected by the ultrasonography. This object was spherical shape with the length of about 12.28 mm. Also, the conventional x-ray system was not able to detect any objects. This result indicated the advantages provided by high-energy in-line phase contrast over conventional x-ray system in detecting lesion-like object under the same radiation dose. To meet the needs of current clinical strategies for high-density breasts screening, breast phantoms with higher glandular densities will be employed in future studies.

Demonstration-Scale High-Cell-Density Fermentation of Pichia pastoris.

PubMed

Liu, Wan-Cang; Zhu, Ping

2018-01-01

Pichia pastoris has been one of the most successful heterologous overexpression systems in generating proteins for large-scale production through high-cell-density fermentation. However, optimizing conditions of the large-scale high-cell-density fermentation for biochemistry and industrialization is usually a laborious and time-consuming process. Furthermore, it is often difficult to produce authentic proteins in large quantities, which is a major obstacle for functional and structural features analysis and industrial application. For these reasons, we have developed a protocol for efficient demonstration-scale high-cell-density fermentation of P. pastoris, which employs a new methanol-feeding strategy-biomass-stat strategy and a strategy of increased air pressure instead of pure oxygen supplement. The protocol included three typical stages of glycerol batch fermentation (initial culture phase), glycerol fed-batch fermentation (biomass accumulation phase), and methanol fed-batch fermentation (induction phase), which allows direct online-monitoring of fermentation conditions, including broth pH, temperature, DO, anti-foam generation, and feeding of glycerol and methanol. Using this protocol, production of the recombinant β-xylosidase of Lentinula edodes origin in 1000-L scale fermentation can be up to ~900 mg/L or 9.4 mg/g cells (dry cell weight, intracellular expression), with the specific production rate and average specific production of 0.1 mg/g/h and 0.081 mg/g/h, respectively. The methodology described in this protocol can be easily transferred to other systems, and eligible to scale up for a large number of proteins used in either the scientific studies or commercial purposes.

Molecular complexes in close and far away

PubMed Central

Klemperer, William; Vaida, Veronica

2006-01-01

In this review, gas-phase chemistry of interstellar media and some planetary atmospheres is extended to include molecular complexes. Although the composition, density, and temperature of the environments discussed are very different, molecular complexes have recently been considered as potential contributors to chemistry. The complexes reviewed include strongly bound aggregates of molecules with ions, intermediate-strength hydrogen bonded complexes (primarily hydrates), and weakly bonded van der Waals molecules. In low-density, low-temperature environments characteristic of giant molecular clouds, molecular synthesis, known to involve gas-phase ion-molecule reactions and chemistry at the surface of dust and ice grains is extended here to involve molecular ionic clusters. At the high density and high temperatures found on planetary atmospheres, molecular complexes contribute to both atmospheric chemistry and climate. Using the observational, laboratory, and theoretical database, the role of molecular complexes in close and far away is discussed. PMID:16740667

High speed digital holography for density and fluctuation measurements (invited).

PubMed

Thomas, C E; Baylor, L R; Combs, S K; Meitner, S J; Rasmussen, D A; Granstedt, E M; Majeski, R P; Kaita, R

2010-10-01

The state of the art in electro-optics has advanced to the point where digital holographic acquisition of wavefronts is now possible. Holographic wavefront acquisition provides the phase of the wavefront at every measurement point. This can be done with accuracy on the order of a thousandth of a wavelength, given that there is sufficient care in the design of the system. At wave frequencies which are much greater than the plasma frequency, the plasma index of refraction is linearly proportional to the electron density and wavelength, and the measurement of the phase of a wavefront passing through the plasma gives the chord-integrated density directly for all points measured on the wavefront. High-speed infrared cameras (up to ∼40,000 fps at ∼64×4 pixels) with resolutions up to 640×512 pixels suitable for use with a CO(2) laser are readily available, if expensive.

High-precision real-time 3D shape measurement based on a quad-camera system

NASA Astrophysics Data System (ADS)

Tao, Tianyang; Chen, Qian; Feng, Shijie; Hu, Yan; Zhang, Minliang; Zuo, Chao

2018-01-01

Phase-shifting profilometry (PSP) based 3D shape measurement is well established in various applications due to its high accuracy, simple implementation, and robustness to environmental illumination and surface texture. In PSP, higher depth resolution generally requires higher fringe density of projected patterns which, in turn, lead to severe phase ambiguities that must be solved with additional information from phase coding and/or geometric constraints. However, in order to guarantee the reliability of phase unwrapping, available techniques are usually accompanied by increased number of patterns, reduced amplitude of fringe, and complicated post-processing algorithms. In this work, we demonstrate that by using a quad-camera multi-view fringe projection system and carefully arranging the relative spatial positions between the cameras and the projector, it becomes possible to completely eliminate the phase ambiguities in conventional three-step PSP patterns with high-fringe-density without projecting any additional patterns or embedding any auxiliary signals. Benefiting from the position-optimized quad-camera system, stereo phase unwrapping can be efficiently and reliably performed by flexible phase consistency checks. Besides, redundant information of multiple phase consistency checks is fully used through a weighted phase difference scheme to further enhance the reliability of phase unwrapping. This paper explains the 3D measurement principle and the basic design of quad-camera system, and finally demonstrates that in a large measurement volume of 200 mm × 200 mm × 400 mm, the resultant dynamic 3D sensing system can realize real-time 3D reconstruction at 60 frames per second with a depth precision of 50 μm.

Pressure induced structural phase transition in solid oxidizer KClO3: A first-principles study

NASA Astrophysics Data System (ADS)

Yedukondalu, N.; Ghule, Vikas D.; Vaitheeswaran, G.

2013-05-01

High pressure behavior of potassium chlorate (KClO3) has been investigated from 0 to 10 GPa by means of first principles density functional theory calculations. The calculated ground state parameters, transition pressure, and phonon frequencies using semiempirical dispersion correction scheme are in excellent agreement with experiment. It is found that KClO3 undergoes a pressure induced first order phase transition with an associated volume collapse of 6.4% from monoclinic (P21/m) → rhombohedral (R3m) structure at 2.26 GPa, which is in good accord with experimental observation. However, the transition pressure was found to underestimate (0.11 GPa) and overestimate (3.57 GPa) using local density approximation and generalized gradient approximation functionals, respectively. Mechanical stability of both the phases is explained from the calculated single crystal elastic constants. In addition, the zone center phonon frequencies have been calculated using density functional perturbation theory at ambient as well as at high pressure and the lattice modes are found to soften under pressure between 0.6 and 1.2 GPa. The present study reveals that the observed structural phase transition leads to changes in the decomposition mechanism of KClO3 which corroborates with the experimental results.

Pressure induced structural phase transition in solid oxidizer KClO3: a first-principles study.

PubMed

Yedukondalu, N; Ghule, Vikas D; Vaitheeswaran, G

2013-05-07

High pressure behavior of potassium chlorate (KClO3) has been investigated from 0 to 10 GPa by means of first principles density functional theory calculations. The calculated ground state parameters, transition pressure, and phonon frequencies using semiempirical dispersion correction scheme are in excellent agreement with experiment. It is found that KClO3 undergoes a pressure induced first order phase transition with an associated volume collapse of 6.4% from monoclinic (P2(1)/m) → rhombohedral (R3m) structure at 2.26 GPa, which is in good accord with experimental observation. However, the transition pressure was found to underestimate (0.11 GPa) and overestimate (3.57 GPa) using local density approximation and generalized gradient approximation functionals, respectively. Mechanical stability of both the phases is explained from the calculated single crystal elastic constants. In addition, the zone center phonon frequencies have been calculated using density functional perturbation theory at ambient as well as at high pressure and the lattice modes are found to soften under pressure between 0.6 and 1.2 GPa. The present study reveals that the observed structural phase transition leads to changes in the decomposition mechanism of KClO3 which corroborates with the experimental results.

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.

Car accidents induced by a bottleneck

NASA Astrophysics Data System (ADS)

Marzoug, Rachid; Echab, Hicham; Ez-Zahraouy, Hamid

2017-12-01

Based on the Nagel-Schreckenberg model (NS) we study the probability of car accidents to occur (Pac) at the entrance of the merging part of two roads (i.e. junction). The simulation results show that the existence of non-cooperative drivers plays a chief role, where it increases the risk of collisions in the intermediate and high densities. Moreover, the impact of speed limit in the bottleneck (Vb) on the probability Pac is also studied. This impact depends strongly on the density, where, the increasing of Vb enhances Pac in the low densities. Meanwhile, it increases the road safety in the high densities. The phase diagram of the system is also constructed.

A new phase of ThC at high pressure predicted from a first-principles study

NASA Astrophysics Data System (ADS)

Guo, Yongliang; Qiu, Wujie; Ke, Xuezhi; Huai, Ping; Cheng, Cheng; Han, Han; Ren, Cuilan; Zhu, Zhiyuan

2015-08-01

The phase transition of thorium monocarbide (ThC) at high pressure has been studied by means of density functional theory. Through structure search, a new phase with space group P 4 / nmm has been predicted. The calculated phonons demonstrate that this new phase and the previous B2 phase are dynamically stable as the external pressure is greater than 60 GPa and 120 GPa, respectively. The transformation from B1 to P 4 / nmm is predicted to be a first-order transition, while that from P 4 / nmm to B2 is found to be a second-order transition.

Selection of high temperature thermal energy storage materials for advanced solar dynamic space power systems

NASA Technical Reports Server (NTRS)

Lacy, Dovie E.; Coles-Hamilton, Carolyn; Juhasz, Albert

1987-01-01

Under the direction of NASA's Office of Aeronautics and Technology (OAST), the NASA Lewis Research Center has initiated an in-house thermal energy storage program to identify combinations of phase change thermal energy storage media for use with a Brayton and Stirling Advanced Solar Dynamic (ASD) space power system operating between 1070 and 1400 K. A study has been initiated to determine suitable combinations of thermal energy storage (TES) phase change materials (PCM) that result in the smallest and lightest weight ASD power system possible. To date the heats of fusion of several fluoride salt mixtures with melting points greater than 1025 K have been verified experimentally. The study has indicated that these salt systems produce large ASD systems because of their inherent low thermal conductivity and low density. It is desirable to have PCMs with high densities and high thermal conductivities. Therefore, alternate phase change materials based on metallic alloy systems are also being considered as possible TES candidates for future ASD space power systems.

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.

High-intensity low energy titanium ion implantation into zirconium alloy

NASA Astrophysics Data System (ADS)

Ryabchikov, A. I.; Kashkarov, E. B.; Pushilina, N. S.; Syrtanov, M. S.; Shevelev, A. E.; Korneva, O. S.; Sutygina, A. N.; Lider, A. M.

2018-05-01

This research describes the possibility of ultra-high dose deep titanium ion implantation for surface modification of zirconium alloy Zr-1Nb. The developed method based on repetitively pulsed high intensity low energy titanium ion implantation was used to modify the surface layer. The DC vacuum arc source was used to produce metal plasma. Plasma immersion titanium ions extraction and their ballistic focusing in equipotential space of biased electrode were used to produce high intensity titanium ion beam with the amplitude of 0.5 A at the ion current density 120 and 170 mA/cm2. The solar eclipse effect was used to prevent vacuum arc titanium macroparticles from appearing in the implantation area of Zr sample. Titanium low energy (mean ion energy E = 3 keV) ions were implanted into zirconium alloy with the dose in the range of (5.4-9.56) × 1020 ion/cm2. The effect of ion current density, implantation dose on the phase composition, microstructure and distribution of elements was studied by X-ray diffraction, scanning electron microscopy and glow-discharge optical emission spectroscopy, respectively. The results show the appearance of Zr-Ti intermetallic phases of different stoichiometry after Ti implantation. The intermetallic phases are transformed from both Zr0.7Ti0.3 and Zr0.5Ti0.5 to single Zr0.6Ti0.4 phase with the increase in the implantation dose. The changes in phase composition are attributed to Ti dissolution in zirconium lattice accompanied by the lattice distortions and appearance of macrostrains in intermetallic phases. The depth of Ti penetration into the bulk of Zr increases from 6 to 13 μm with the implantation dose. The hardness and wear resistance of the Ti-implanted zirconium alloy were increased by 1.5 and 1.4 times, respectively. The higher current density (170 mA/cm2) leads to the increase in the grain size and surface roughness negatively affecting the tribological properties of the alloy.

Sorption Phase of Supercritical CO2 in Silica Aerogel: Experiments and Mesoscale Computer Simulations

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

Rother, Gernot; Vlcek, Lukas; Gruszkiewicz, Miroslaw

2014-01-01

Adsorption of supercritical CO2 in nanoporous silica aerogel was investigated by a combination of experiments and molecular-level computer modeling. High-pressure gravimetric and vibrating tube densimetry techniques were used to measure the mean pore fluid density and excess sorption at 35 C and 50 C and pressures of 0-200 bar. Densification of the pore fluid was observed at bulk fluid densities below 0.7 g/cm3. Far above the bulk fluid density, near-zero sorption or weak depletion effects were measured, while broad excess sorption maxima form in the vicinity of the bulk critical density region. The CO2 sorption properties are very similar formore » two aerogels with different bulk densities of 0.1 g/cm3 and 0.2 g/cm3, respectively. The spatial distribution of the confined supercritical fluid was analyzed in terms of sorption- and bulk-phase densities by means of the Adsorbed Phase Model (APM), which used data from gravimetric sorption and small-angle neutron scattering experiments. To gain more detailed insight into supercritical fluid sorption, large-scale lattice gas GCMC simulations were utilized and tuned to resemble the experimental excess sorption data. The computed three-dimensional pore fluid density distributions show that the observed maximum of the excess sorption near the critical density originates from large density fluctuations pinned to the pore walls. At this maximum, the size of these fluctuations is comparable to the prevailing pore sizes.« less

Asymmetric simple exclusion process on chains with a shortcut

NASA Astrophysics Data System (ADS)

Bunzarova, Nadezhda; Pesheva, Nina; Brankov, Jordan

2014-03-01

We consider the asymmetric simple exclusion process (TASEP) on an open network consisting of three consecutively coupled macroscopic chain segments with a shortcut between the tail of the first segment and the head of the third one. The model was introduced by Y.-M. Yuan et al. [J. Phys. A 40, 12351 (2007), 10.1088/1751-8113/40/41/006] to describe directed motion of molecular motors along twisted filaments. We report here unexpected results which revise the previous findings in the case of maximum current through the network. Our theoretical analysis, based on the effective rates' approximation, shows that the second (shunted) segment can exist in both low- and high-density phases, as well as in the coexistence (shock) phase. Numerical simulations demonstrate that the last option takes place in finite-size networks with head and tail chains of equal length, provided the injection and ejection rates at their external ends are equal and greater than one-half. Then the local density distribution and the nearest-neighbor correlations in the middle chain correspond to a shock phase with completely delocalized domain wall. Upon moving the shortcut to the head or tail of the network, the density profile takes a shape typical of a high- or low-density phase, respectively. Surprisingly, the main quantitative parameters of that shock phase are governed by a positive root of a cubic equation, the coefficients of which linearly depend on the probability of choosing the shortcut. Alternatively, they can be expressed in a universal way through the shortcut current. The unexpected conclusion is that a shortcut in the bulk of a single lane may create traffic jams.

Critical Role of the Exchange Interaction for the Electronic Structure and Charge-Density-Wave Formation in TiSe2

NASA Astrophysics Data System (ADS)

Hellgren, Maria; Baima, Jacopo; Bianco, Raffaello; Calandra, Matteo; Mauri, Francesco; Wirtz, Ludger

2017-10-01

We show that the inclusion of screened exchange via hybrid functionals provides a unified description of the electronic and vibrational properties of TiSe2 . In contrast to local approximations in density functional theory, the explicit inclusion of exact, nonlocal exchange captures the effects of the electron-electron interaction needed to both separate the Ti -d states from the Se -p states and stabilize the charge-density-wave (CDW) (or low-T ) phase through the formation of a p -d hybridized state. We further show that this leads to an enhanced electron-phonon coupling that can drive the transition even if a small gap opens in the high-T phase. Finally, we demonstrate that the hybrid functionals can generate a CDW phase where the electronic bands, the geometry, and the phonon frequencies are in agreement with experiments.

The morphology of blends of linear and branched polyethylenes in solid state by small-angle scattering

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

Wignall, G.D.; Londono, J.D.; Alamo, R.G.

1995-12-01

We have used small-angle neutron and x-ray scattering (SANS And SAXS) to investigate the solid state morphology of blends of high-density and low-density polyethylenes (HDPE and LDPE). The blends are homogenous in the melt as demonstrated by SANS using the contrast obtained by deuterating the linear polymer, though they phase segregate on slow cooling (0.75{degree}C/min). For high concentrations ({theta} {ge} 0.5) of linear polymer, there are separate stacks of HDPE and LDPE lamellae, as indicated by 2-peak SAXS curves. For predominantly branched blends, the phase separation is less complete, and the components are separated within the same lamellar stack, withmore » alternating HDPE and LDPE lamellae. Moreover, the phases no longer consist of the pure components and the HDPE lamellae contain up to 15% LDPE. Rapid quenching into dry-ice/acetone (-78{degree}C) produces only one lamellar stack over the whole concentration range. The blends show extensive cocrystallization with a tendency for the branched material to be preferentially located in the amorphous regions. For high concentrations ({theta} {ge} 0.5) of HDPE-D the overall scattering length density is high and the excess concentration of LDPE between the lamellae enhances the contrast between the crystalline and amorphous phases. Thus, the interlamellar spacing (long period) is clearly visible in the SANS pattern. The blend morphology is a strong function of the quench rate and samples quenched less rapidly (e.g., into water at 23{degree}C) show a similar morphology to slowly cooled samples.« less

High Energy Storage Density and Impedance Response of PLZT2/95/5 Antiferroelectric Ceramics.

PubMed

Li, Bi; Liu, Qiuxiang; Tang, Xingui; Zhang, Tianfu; Jiang, Yanping; Li, Wenhua; Luo, Jie

2017-02-08

(Pb 0.97 La 0.02 )(Zr 0.95 Ti 0.05 )O₃ (PLZT2/95/5) ceramics were successfully prepared via a solid-state reaction route. The dielectric properties were investigated in the temperature region of 26-650 °C. The dielectric diffuse anomaly in the dielectric relaxation was found in the high temperature region of 600-650 °C with increasing the measuring frequency, which was related to the dynamic thermal process of ionized oxygen vacancies generated in the high temperature. Two phase transition points were detected during heating, which were found to coexist from 150 to 200 °C. Electric field induced ferroelectric to antiferroelectric phase transition behavior of the (Pb 0.97 La 0.02 )(Zr 0.95 Ti 0.05 )O₃ ceramics was investigated in this work with an emphasis on energy storage properties. A recoverable energy-storage density of 0.83 J/cm³ and efficiency of 70% was obtained in (Pb 0.97 La 0.02 )(Zr 0.95 Ti 0.05 )O₃ ceramics at 55 kV/cm. Based on these results, (Pb 0.97 La 0.02 )(Zr 0.95 Ti 0.05 )O₃ ceramics with a large recoverable energy-storage density could be a potential candidate for the applications in high energy-storage density ceramic capacitors.

Vacancy-mediated fcc/bcc phase separation in Fe 1-xNi x ultrathin films

DOE PAGES

Mentes, T. O.; Stojic, N.; Vescovo, E.; ...

2016-08-01

The phase separation occurring in Fe-Ni thin lms near the Invar composition is studied by using high resolution spectromicroscopy techniques and density functional theory calculations. Annealed at temperatures around 300 C, Fe 0.70Ni 0.30 lms on W(110) break into micron-sized bcc and fcc domains with compositions in agreement with the bulk Fe-Ni phase diagram. Ni is found to be the di using species in forming the chemical heterogeneity. The experimentally-determined energy barrier of 1.59 0.09 eV is identi ed as the vacancy formation energy via density functional theory calculations. Thus, the principal role of the surface in the phase separationmore » process is attributed to vacancy creation without interstitials.« less

Nonequilibrium phase transitions of sheared colloidal microphases: Results from dynamical density functional theory

NASA Astrophysics Data System (ADS)

Stopper, Daniel; Roth, Roland

2018-06-01

By means of classical density functional theory and its dynamical extension, we consider a colloidal fluid with spherically symmetric competing interactions, which are well known to exhibit a rich bulk phase behavior. This includes complex three-dimensional periodically ordered cluster phases such as lamellae, two-dimensional hexagonally packed cylinders, gyroid structures, or spherical micelles. While the bulk phase behavior has been studied extensively in earlier work, in this paper we focus on such structures confined between planar repulsive walls under shear flow. For sufficiently high shear rates, we observe that microphase separation can become fully suppressed. For lower shear rates, however, we find that, e.g., the gyroid structure undergoes a kinetic phase transition to a hexagonally packed cylindrical phase, which is found experimentally and theoretically in amphiphilic block copolymer systems. As such, besides the known similarities between the latter and colloidal systems regarding the equilibrium phase behavior, our work reveals further intriguing nonequilibrium relations between copolymer melts and colloidal fluids with competing interactions.

Measurement of wave-front aberration in a small telescope remote imaging system using scene-based wave-front sensing

DOEpatents

Poyneer, Lisa A; Bauman, Brian J

2015-03-31

Reference-free compensated imaging makes an estimation of the Fourier phase of a series of images of a target. The Fourier magnitude of the series of images is obtained by dividing the power spectral density of the series of images by an estimate of the power spectral density of atmospheric turbulence from a series of scene based wave front sensor (SBWFS) measurements of the target. A high-resolution image of the target is recovered from the Fourier phase and the Fourier magnitude.

A High Power Density Single-Phase PWM Rectifier with Active Ripple Energy Storage

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

Ning, Puqi; Wang, Ruxi; Wang, Fei

It is well known that there exist second-order harmonic current and corresponding ripple voltage on dc bus for single phase PWM rectifiers. The low frequency harmonic current is normally filtered using a bulk capacitor in the bus which results in low power density. This paper proposed an active ripple energy storage method that can effectively reduce the energy storage capacitance. The feed-forward control method and design considerations are provided. Simulation and 15 kW experimental results are provided for verification purposes.

Low-energy ion irradiation in HiPIMS to enable anatase TiO2 selective growth

NASA Astrophysics Data System (ADS)

Cemin, Felipe; Tsukamoto, Makoto; Keraudy, Julien; Antunes, Vinícius Gabriel; Helmersson, Ulf; Alvarez, Fernando; Minea, Tiberiu; Lundin, Daniel

2018-06-01

High power impulse magnetron sputtering (HiPIMS) has already demonstrated great potential for synthesizing the high-energy crystalline phase of titanium dioxide (rutile TiO2) due to large quantities of highly energetic ions present in the discharge. In this work, it is shown that the metastable anatase phase can also be obtained by HiPIMS. The required deposition conditions have been identified by systematically studying the phase formation, microstructure and chemical composition as a function of mode of target operation as well as of substrate temperature, working pressure, and peak current density. It is found that films deposited in the metal and transition modes are predominantly amorphous and contain substoichiometric TiO x compounds, while in compound mode they are well-crystallized and present only O2‑ ions bound to Ti4+, i.e. pure TiO2. Anatase TiO2 films are obtained for working pressures between 1 and 2 Pa, a peak current density of ~1 A cm‑2 and deposition temperatures lower than 300 °C. Rutile is favored at lower pressures (<1 Pa) and higher peak current densities (>2 A cm‑2), while amorphous films are obtained at higher pressures (5 Pa). Microstructural characterization of selected films is also presented.

Pressure-Induced Amorphization and a New High Density Amorphous Metallic Phase in Matrix-Free Ge Nanoparticles.

PubMed

Corsini, Niccolo R C; Zhang, Yuanpeng; Little, William R; Karatutlu, Ali; Ersoy, Osman; Haynes, Peter D; Molteni, Carla; Hine, Nicholas D M; Hernandez, Ignacio; Gonzalez, Jesus; Rodriguez, Fernando; Brazhkin, Vadim V; Sapelkin, Andrei

2015-11-11

Over the last two decades, it has been demonstrated that size effects have significant consequences for the atomic arrangements and phase behavior of matter under extreme pressure. Furthermore, it has been shown that an understanding of how size affects critical pressure-temperature conditions provides vital guidance in the search for materials with novel properties. Here, we report on the remarkable behavior of small (under ~5 nm) matrix-free Ge nanoparticles under hydrostatic compression that is drastically different from both larger nanoparticles and bulk Ge. We discover that the application of pressure drives surface-induced amorphization leading to Ge-Ge bond overcompression and eventually to a polyamorphic semiconductor-to-metal transformation. A combination of spectroscopic techniques together with ab initio simulations were employed to reveal the details of the transformation mechanism into a new high density phase-amorphous metallic Ge.

Pressure-induced phase transition in titanium alloys

NASA Astrophysics Data System (ADS)

Murugeswari, R.; Rajeswarapalanichamy, R.; Benial, A. Milton Franklin

2018-05-01

The structural, elastic, magnetic and electronic properties of titanium-based ferromagnetic (FM) TiX (X = Fe, Co, Ni) alloys are investigated by the first principles calculations based on density functional theory using the Vienna ab initio simulation code. At ambient pressure, all the three alloys TiFe, TiCo and TiNi are highly stable in CsCl structure. The calculated lattice parameters and ground state properties are in good agreement with the available theoretical and experimental results. The density of states explains that these alloys possess the metallic nature at normal and high pressures. A pressure-induced structural phase transitions from CsCl to NaCl phase at 46 GPa and NaCl to ZB phase at 49 GPa in TiFe, CsCl to ZB phase in TiCo at 52 GPa, CsCl to hexagonal phase at 22 GPa and hexagonal to ZB phase at 66 GPa in TiNi are observed. The calculated Debye temperatures of TiX (X = Fe, Co, Ni) alloys are in good agreement with earlier reports. Binding energy shows that the TiCo is the most stable alloy. The magnetic property of TiX (X = Fe, Co, Ni) alloys reveals that TiFe is stable in nonmagnetic phase and the other two alloys, TiCo and TiNi, are stable in FM phase at normal pressure.

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.

Application of a transverse phase-space measurement technique for high-brightness, H{sup {minus}} beams to the GTA H{sup {minus}} beam

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

Johnson, K.F.; Garcia, R.C.; Rusthoi, D.P.

1995-05-01

The Ground Test Accelerator (GTA) had the objective Of Producing a high-brightness, high-current H-beam. The major components were a 35 keV injector, a Radio Frequency Quadrupole (RFQ), an intertank matching section (IMS), and a drift tube linac (DTL), consisting of 10 modules. A technique for measuring the transverse phase-space of high-power density beams has been developed and tested. This diagnostic has been applied to the GTA H-beam. Experimental results are compared to the slit and collector technique for transverse phase-space measurements and to simulations.

High density dispersion fuel

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

Hofman, G.L.

1996-09-01

A fuel development campaign that results in an aluminum plate-type fuel of unlimited LEU burnup capability with an uranium loading of 9 grams per cm{sup 3} of meat should be considered an unqualified success. The current worldwide approved and accepted highest loading is 4.8 g cm{sup {minus}3} with U{sub 3}Si{sub 2} as fuel. High-density uranium compounds offer no real density advantage over U{sub 3}Si{sub 2} and have less desirable fabrication and performance characteristics as well. Of the higher-density compounds, U{sub 3}Si has approximately a 30% higher uranium density but the density of the U{sub 6}X compounds would yield the factormore » 1.5 needed to achieve 9 g cm{sup {minus}3} uranium loading. Unfortunately, irradiation tests proved these peritectic compounds have poor swelling behavior. It is for this reason that the authors are turning to uranium alloys. The reason pure uranium was not seriously considered as a dispersion fuel is mainly due to its high rate of growth and swelling at low temperatures. This problem was solved at least for relatively low burnup application in non-dispersion fuel elements with small additions of Si, Fe, and Al. This so called adjusted uranium has nearly the same density as pure {alpha}-uranium and it seems prudent to reconsider this alloy as a dispersant. Further modifications of uranium metal to achieve higher burnup swelling stability involve stabilization of the cubic {gamma} phase at low temperatures where normally {alpha} phase exists. Several low neutron capture cross section elements such as Zr, Nb, Ti and Mo accomplish this in various degrees. The challenge is to produce a suitable form of fuel powder and develop a plate fabrication procedure, as well as obtain high burnup capability through irradiation testing.« less

Effects of solvent density on retention in gas-liquid chromatography. I. Alkanes solutes in polyethylene glycol stationary phases.

PubMed

González, F R; Pérez-Parajón, J; García-Domínguez, J A

2002-04-12

Gas-liquid chromatographic columns were prepared coating silica capillaries with poly(oxyethylene) polymers of different molecular mass distributions, in the range of low number-average molar masses, where the density still varies significantly. A novel, high-temperature, rapid evaporation method was developed and applied to the static coating of the low-molecular-mass stationary phases. The analysis of alkanes retention data from these columns reveals that the dependence of the partition coefficient with the solvent macroscopic density is mainly due to a variation of entropy. Enthalpies of solute transfer contribute poorly to the observed variations of retention. Since the alkanes solubility diminishes with the increasing solvent density, and this variation is weakly dependent with temperature, it is concluded that the decrease of free-volume in the liquid is responsible for this behavior.

Covariance and correlation estimation in electron-density maps.

PubMed

Altomare, Angela; Cuocci, Corrado; Giacovazzo, Carmelo; Moliterni, Anna; Rizzi, Rosanna

2012-03-01

Quite recently two papers have been published [Giacovazzo & Mazzone (2011). Acta Cryst. A67, 210-218; Giacovazzo et al. (2011). Acta Cryst. A67, 368-382] which calculate the variance in any point of an electron-density map at any stage of the phasing process. The main aim of the papers was to associate a standard deviation to each pixel of the map, in order to obtain a better estimate of the map reliability. This paper deals with the covariance estimate between points of an electron-density map in any space group, centrosymmetric or non-centrosymmetric, no matter the correlation between the model and target structures. The aim is as follows: to verify if the electron density in one point of the map is amplified or depressed as an effect of the electron density in one or more other points of the map. High values of the covariances are usually connected with undesired features of the map. The phases are the primitive random variables of our probabilistic model; the covariance changes with the quality of the model and therefore with the quality of the phases. The conclusive formulas show that the covariance is also influenced by the Patterson map. Uncertainty on measurements may influence the covariance, particularly in the final stages of the structure refinement; a general formula is obtained taking into account both phase and measurement uncertainty, valid at any stage of the crystal structure solution.

Steady-state probability density function of the phase error for a DPLL with an integrate-and-dump device

NASA Technical Reports Server (NTRS)

Simon, M.; Mileant, A.

1986-01-01

The steady-state behavior of a particular type of digital phase-locked loop (DPLL) with an integrate-and-dump circuit following the phase detector is characterized in terms of the probability density function (pdf) of the phase error in the loop. Although the loop is entirely digital from an implementation standpoint, it operates at two extremely different sampling rates. In particular, the combination of a phase detector and an integrate-and-dump circuit operates at a very high rate whereas the loop update rate is very slow by comparison. Because of this dichotomy, the loop can be analyzed by hybrid analog/digital (s/z domain) techniques. The loop is modeled in such a general fashion that previous analyses of the Real-Time Combiner (RTC), Subcarrier Demodulator Assembly (SDA), and Symbol Synchronization Assembly (SSA) fall out as special cases.

High energy density of Li3-xNaxV2(PO4)3/C cathode material with high rate cycling performance for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Zuo, Zong-Lin; Deng, Jian-Qiu; Pan, Jin; Luo, Wen-Bin; Yao, Qing-Rong; Wang, Zhong-Min; Zhou, Huai-Ying; Liu, Hua-Kun

2017-07-01

A serials of micro-sized Li3-xNaxV2(PO4)3/C composite has been synthesized by sol-gel method, comprised of numerous primary nanocrystals. This structure can efficiently facilitate lithium-ion transport in secondary aggregated individual particles due to the short diffusion distance among primary nanocrystals, along with a high tap density. With the increasing of Na doping content, the structure evolution occurs in Li3-xNaxV2(PO4)3 from a single-phase structure to a two-phase structure. The appearance of rhombohedral phase can provide a larger free volume of the interstitial space, fastening ionic movement to offer an excellent high rate capability. Furthermore, Na doping can stabilize the rhombohedral structure of the V2(PO4)3 framework, leading to the remarkable cycling stability. Among all the composites, Li2.6Na0.4V2(PO4)3/C presents the best electrochemical performance with a high energy density of 478.8 Wh kg-1, delivering high initial discharge capacities of 121.6, 113.8 and 109.7 mAh g-1 at the rate of 5 C, 10 C and 20 C in a voltage range of 3.0 - 4.3 V, respectively. It also exhibit an excellent high rate cycling performance, with capacity retention of 85.9 %, 81.7 % and 76.5 % after 1000 cycles at the rate of 5 C, 10 C and 20 C in a voltage range of 3.0 - 4.3 V.

Amide-Catalyzed Phase-Selective Crystallization Reduces Defect Density in Wide-Bandgap Perovskites.

PubMed

Kim, Junghwan; Saidaminov, Makhsud I; Tan, Hairen; Zhao, Yicheng; Kim, Younghoon; Choi, Jongmin; Jo, Jea Woong; Fan, James; Quintero-Bermudez, Rafael; Yang, Zhenyu; Quan, Li Na; Wei, Mingyang; Voznyy, Oleksandr; Sargent, Edward H

2018-03-01

Wide-bandgap (WBG) formamidinium-cesium (FA-Cs) lead iodide-bromide mixed perovskites are promising materials for front cells well-matched with crystalline silicon to form tandem solar cells. They offer avenues to augment the performance of widely deployed commercial solar cells. However, phase instability, high open-circuit voltage (V oc ) deficit, and large hysteresis limit this otherwise promising technology. Here, by controlling the crystallization of FA-Cs WBG perovskite with the aid of a formamide cosolvent, light-induced phase segregation and hysteresis in perovskite solar cells are suppressed. The highly polar solvent additive formamide induces direct formation of the black perovskite phase, bypassing the yellow phases, thereby reducing the density of defects in films. As a result, the optimized WBG perovskite solar cells (PSCs) (E g ≈ 1.75 eV) exhibit a high V oc of 1.23 V, reduced hysteresis, and a power conversion efficiency (PCE) of 17.8%. A PCE of 15.2% on 1.1 cm 2 solar cells, the highest among the reported efficiencies for large-area PSCs having this bandgap is also demonstrated. These perovskites show excellent phase stability and thermal stability, as well as long-term air stability. They maintain ≈95% of their initial PCE after 1300 h of storage in dry air without encapsulation. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

On the role of precursor powder composition in controlling microstructure, flux pinning, and the critical current density of Ag/Bi$$_2$$Sr$$_2$$CaCu$$_2$$O$$_x$$ conductors

DOE PAGES

Li, Pei; Naderi, Golsa; Schwartz, Justin; ...

2017-01-04

Precursor powder composition is known to strongly affect the critical current density (J c) of Ag/Bimore » $$_2$$Sr$$_2$$CaCu$$_2$$O$$_x$$ (Bi-2212) wires. However, reasons for such J c dependence have not yet been fully understood, compromising our ability to achieve further optimization. In this paper, we systematically examined superconducting properties, microstructural evolution and phase transformation, and grain boundaries of Bi-2212 conductors fabricated from precursor powders with a range of compositions using a combination of transport-current measurements, a quench technique to freeze microstructures at high temperatures during heat treatment, and scanning transmission electron microscopy (STEM). Samples include both dip-coated tapes and round wires, among which a commercial round wire carries a high J c of 7600 A mm -2 at 4.2 K, self-field and 2600 A mm -2 at 4.2 K, 20 T, respectively. In the melt, this high-J c conductor, made using a composition of Bi 2.17Sr 1.94Ca 0.89Cu 2O x, contains a uniform dispersion of fine alkaline-earth cuprate (AEC) and copper-free solid phases, whereas several low-J c conductors contain large AEC particles. Such significant differences in the phase morphologies in the melt are accompanied by a drastic difference in the formation kinetics of Bi-2212 during recrystallization cooling. STEM studies show that Bi-2212 grain colonies in the high-J c conductors have a high density of Bi 2Sr 2CuO y (Bi-2201) intergrowths, whereas a low-J c conductor, made using Bi 2.14Sr 1.66Ca 1.24Cu 1.96O x , is nearly free of them. STEM investigation shows grain boundaries in low-J c conductors are often insulated with a Bi-rich amorphous phase. Finally, high-J c conductors also show higher flux-pinning strength, which we ascribe to their higher Bi-2201 intergrowth density.« less

On the role of precursor powder composition in controlling microstructure, flux pinning, and the critical current density of Ag/Bi$$_2$$Sr$$_2$$CaCu$$_2$$O$$_x$$ conductors

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

Li, Pei; Naderi, Golsa; Schwartz, Justin

Precursor powder composition is known to strongly affect the critical current density (J c) of Ag/Bimore » $$_2$$Sr$$_2$$CaCu$$_2$$O$$_x$$ (Bi-2212) wires. However, reasons for such J c dependence have not yet been fully understood, compromising our ability to achieve further optimization. In this paper, we systematically examined superconducting properties, microstructural evolution and phase transformation, and grain boundaries of Bi-2212 conductors fabricated from precursor powders with a range of compositions using a combination of transport-current measurements, a quench technique to freeze microstructures at high temperatures during heat treatment, and scanning transmission electron microscopy (STEM). Samples include both dip-coated tapes and round wires, among which a commercial round wire carries a high J c of 7600 A mm -2 at 4.2 K, self-field and 2600 A mm -2 at 4.2 K, 20 T, respectively. In the melt, this high-J c conductor, made using a composition of Bi 2.17Sr 1.94Ca 0.89Cu 2O x, contains a uniform dispersion of fine alkaline-earth cuprate (AEC) and copper-free solid phases, whereas several low-J c conductors contain large AEC particles. Such significant differences in the phase morphologies in the melt are accompanied by a drastic difference in the formation kinetics of Bi-2212 during recrystallization cooling. STEM studies show that Bi-2212 grain colonies in the high-J c conductors have a high density of Bi 2Sr 2CuO y (Bi-2201) intergrowths, whereas a low-J c conductor, made using Bi 2.14Sr 1.66Ca 1.24Cu 1.96O x , is nearly free of them. STEM investigation shows grain boundaries in low-J c conductors are often insulated with a Bi-rich amorphous phase. Finally, high-J c conductors also show higher flux-pinning strength, which we ascribe to their higher Bi-2201 intergrowth density.« less

Suppression of the Hall number due to charge density wave order in high-Tc cuprates

NASA Astrophysics Data System (ADS)

Sharma, Girish; Nandy, S.; Taraphder, A.; Tewari, Sumanta

2018-05-01

Understanding the pseudogap phase in hole-doped high-temperature cuprate superconductors remains a central challenge in condensed-matter physics. From a host of recent experiments there is now compelling evidence of translational-symmetry-breaking charge density wave (CDW) order in a wide range of doping inside this phase. Two distinct types of incommensurate charge order, bidirectional at zero or low magnetic fields and unidirectional at high magnetic fields close to the upper critical field Hc 2, have been reported so far in approximately the same doping range between p ≃0.08 and p ≃0.16 . In concurrent developments, recent high-field Hall experiments have also revealed two indirect but striking signatures of Fermi surface reconstruction in the pseudogap phase, namely, a sign change of the Hall coefficient to negative values at low temperatures in the intermediate range of hole doping and a rapid suppression of the positive Hall number without a change in sign near optimal doping p ˜0.19 . We show that the assumption of a unidirectional incommensurate CDW (with or without a coexisting weak bidirectional order) at high magnetic fields near optimal doping and the coexistence of both types of orders of approximately equal magnitude at high magnetic fields in the intermediate range of doping may help explain the striking behavior of the low-temperature Hall effect in the entire pseudogap phase.

Multi-point measurement using two-channel reflectometer with antenna switching for study of high-frequency fluctuations in GAMMA 10

NASA Astrophysics Data System (ADS)

Ikezoe, R.; Ichimura, M.; Okada, T.; Itagaki, J.; Hirata, M.; Sumida, S.; Jang, S.; Izumi, K.; Tanaka, A.; Yoshikawa, M.; Kohagura, J.; Sakamoto, M.; Nakashima, Y.

2017-03-01

A two-channel microwave reflectometer system with fast microwave antenna switching capability was developed and applied to the GAMMA 10 tandem mirror device to study high-frequency small-amplitude fluctuations in a hot mirror plasma. The fast switching of the antennas is controlled using PIN diode switches, which offers the significant advantage of reducing the number of high-cost microwave components and digitizers with high bandwidths and large memory that are required to measure the spatiotemporal behavior of the high-frequency fluctuations. The use of two channels rather than one adds the important function of a simultaneous two-point measurement in either the radial direction or the direction of the antenna array to measure the phase profile of the fluctuations along with the normal amplitude profile. The density fluctuations measured using this system clearly showed the high-frequency coherent fluctuations that are associated with Alfvén-ion-cyclotron (AIC) waves in GAMMA 10. A correlation analysis applied to simultaneously measured density fluctuations showed that the phase component that was included in a reflected microwave provided both high coherence and a clear phase difference for the AIC waves, while the amplitude component showed neither significant coherence nor clear phase difference. The axial phase differences of the AIC waves measured inside the hot plasma confirmed the formation of a standing wave structure. The axial variation of the radial profiles was evaluated and a clear difference was found among the AIC waves for the first time, which would be a key to clarify the unknown boundary conditions of the AIC waves.

Phase modulated high density collinear holographic data storage system with phase-retrieval reference beam locking and orthogonal reference encoding.

PubMed

Liu, Jinpeng; Horimai, Hideyoshi; Lin, Xiao; Huang, Yong; Tan, Xiaodi

2018-02-19

A novel phase modulation method for holographic data storage with phase-retrieval reference beam locking is proposed and incorporated into an amplitude-encoding collinear holographic storage system. Unlike the conventional phase retrieval method, the proposed method locks the data page and the corresponding phase-retrieval interference beam together at the same location with a sequential recording process, which eliminates piezoelectric elements, phase shift arrays and extra interference beams, making the system more compact and phase retrieval easier. To evaluate our proposed phase modulation method, we recorded and then recovered data pages with multilevel phase modulation using two spatial light modulators experimentally. For 4-level, 8-level, and 16-level phase modulation, we achieved the bit error rate (BER) of 0.3%, 1.5% and 6.6% respectively. To further improve data storage density, an orthogonal reference encoding multiplexing method at the same position of medium is also proposed and validated experimentally. We increased the code rate of pure 3/16 amplitude encoding method from 0.5 up to 1.0 and 1.5 using 4-level and 8-level phase modulation respectively.

Improving experimental phases for strong reflections prior to density modification

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

Uervirojnangkoorn, Monarin; University of Lübeck, Ratzeburger Allee 160, 23538 Lübeck; Hilgenfeld, Rolf, E-mail: hilgenfeld@biochem.uni-luebeck.de

A genetic algorithm has been developed to optimize the phases of the strongest reflections in SIR/SAD data. This is shown to facilitate density modification and model building in several test cases. Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probability distributions. These distributions are often bimodal, making their weighted average, the centroid phase, improbable, so that electron-density maps computed using centroid phases are often non-interpretable. Density modification brings in information about the characteristics of electron density in protein crystals. In successful cases, this allows a choice between the modes in the phase probability distributions, and the mapsmore » can cross the borderline between non-interpretable and interpretable. Based on the suggestions by Vekhter [Vekhter (2005 ▶), Acta Cryst. D61, 899–902], the impact of identifying optimized phases for a small number of strong reflections prior to the density-modification process was investigated while using the centroid phase as a starting point for the remaining reflections. A genetic algorithm was developed that optimizes the quality of such phases using the skewness of the density map as a target function. Phases optimized in this way are then used in density modification. In most of the tests, the resulting maps were of higher quality than maps generated from the original centroid phases. In one of the test cases, the new method sufficiently improved a marginal set of experimental SAD phases to enable successful map interpretation. A computer program, SISA, has been developed to apply this method for phase improvement in macromolecular crystallography.« less

Forcing of the Coupled Ionosphere-Thermosphere (IT) System During Magnetic Storms

NASA Technical Reports Server (NTRS)

Huang, Cheryl; Huang, Yanshi; Su, Yi-Jiun; Sutton, Eric; Hairston, Marc; Coley, W. Robin; Doornbos, Eelco; Zhang, Yongliang

2014-01-01

Poynting flux shows peaks around auroral zone AND inside polar cap. Energy enters IT system at all local times in polar cap. Track-integrated flux at DMSP often peaks at polar latitudes- probably due to increased area of polar cap during storm main phases. center dot lon temperatures at DMSP show large increases in polar region at all local times; cusp and auroral zones do not show distinctively high Ti. center dot I on temperatures in the polar cap are higher than in the auroral zones during quiet times. center dot Neutral densities at GRACE and GOCE show maxima at polar latitudes without clear auroral signatures. Response is fast, minutes from onset to density peaks. center dot GUVI observations of O/N2 ratio during storms show similar response as direct measurements of ion and neutral densities, i.e. high temperatures in polar cap during prestorm quiet period, heating proceeding from polar cap to lower latitudes during storm main phase. center dot Discrepancy between maps of Poynting flux and of ion temperatures/neutral densities suggests that connection between Poynting flux and Joule heating is not simple.

Observations of the diurnal dependence of the high-latitude F region ion density by DMSP satellites

NASA Technical Reports Server (NTRS)

Sojka, J. J.; Raitt, W. J.; Schunk, R. W.; Rich, F. J.; Sagalyn, R. C.

1982-01-01

Data from the DMSP F2 and F4 satellites for the period December 5-10, 1979, have been used to study the diurnal dependence of the high-latitude ion density at 800-km altitude. A 24-hour periodicity in the minimum orbital density (MOD) during a crossing of the high-latitude region is observed in both the winter and summer hemispheres. The phase of the variation in MOD is such that it has a minimum during the 24-hour period between 0700 and 0900 UT. Both the long-term variation of the high-latitude ion density on a time scale of days, and the orbit-by-orbit variations at the same geomagnetic location in the northern (winter) hemisphere for the magnetically quiet time period chosen, show good qualitative agreement with the diurnal dependence predicted by a theoretical model of the ionospheric density at high latitudes under conditions of low convection speeds (Sojka et al., 1981).

Multiple-relaxation-time color-gradient lattice Boltzmann model for simulating two-phase flows with high density ratio

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

Ba, Yan; Liu, Haihu; Li, Qing

2016-08-15

In this paper, we propose a color-gradient lattice Boltzmann (LB) model for simulating two-phase flows with high density ratio and high Reynolds number. The model applies a multi-relaxation-time (MRT) collision operator to enhance the stability of the simulation. A source term, which is derived by the Chapman-Enskog analysis, is added into the MRT LB equation so that the Navier-Stokes equations can be exactly recovered. Also, a new form of the equilibrium density distribution function is used to simplify the source term. To validate the proposed model, steady flows of a static droplet and the layered channel flow are first simulatedmore » with density ratios up to 1000. Small values of spurious velocities and interfacial tension errors are found in the static droplet test, and improved profiles of velocity are obtained by the present model in simulating channel flows. Then, two cases of unsteady flows, Rayleigh-Taylor instability and droplet splashing on a thin film, are simulated. In the former case, the density ratio of 3 and Reynolds numbers of 256 and 2048 are considered. The interface shapes and spike/bubble positions are in good agreement with the results of previous studies. In the latter case, the droplet spreading radius is found to obey the power law proposed in previous studies for the density ratio of 100 and Reynolds number up to 500.« less

Improving experimental phases for strong reflections prior to density modification

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

Uervirojnangkoorn, Monarin; Hilgenfeld, Rolf; Terwilliger, Thomas C.

Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probability distributions. These distributions are often bimodal, making their weighted average, the centroid phase, improbable, so that electron-density maps computed using centroid phases are often non-interpretable. Density modification brings in information about the characteristics of electron density in protein crystals. In successful cases, this allows a choice between the modes in the phase probability distributions, and the maps can cross the borderline between non-interpretable and interpretable. Based on the suggestions by Vekhter [Vekhter (2005), Acta Cryst. D 61, 899–902], the impact of identifying optimized phases for a small numbermore » of strong reflections prior to the density-modification process was investigated while using the centroid phase as a starting point for the remaining reflections. A genetic algorithm was developed that optimizes the quality of such phases using the skewness of the density map as a target function. Phases optimized in this way are then used in density modification. In most of the tests, the resulting maps were of higher quality than maps generated from the original centroid phases. In one of the test cases, the new method sufficiently improved a marginal set of experimental SAD phases to enable successful map interpretation. Lastly, a computer program, SISA, has been developed to apply this method for phase improvement in macromolecular crystallography.« less

Improving experimental phases for strong reflections prior to density modification

DOE PAGES

Uervirojnangkoorn, Monarin; Hilgenfeld, Rolf; Terwilliger, Thomas C.; ...

2013-09-20

Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probability distributions. These distributions are often bimodal, making their weighted average, the centroid phase, improbable, so that electron-density maps computed using centroid phases are often non-interpretable. Density modification brings in information about the characteristics of electron density in protein crystals. In successful cases, this allows a choice between the modes in the phase probability distributions, and the maps can cross the borderline between non-interpretable and interpretable. Based on the suggestions by Vekhter [Vekhter (2005), Acta Cryst. D 61, 899–902], the impact of identifying optimized phases for a small numbermore » of strong reflections prior to the density-modification process was investigated while using the centroid phase as a starting point for the remaining reflections. A genetic algorithm was developed that optimizes the quality of such phases using the skewness of the density map as a target function. Phases optimized in this way are then used in density modification. In most of the tests, the resulting maps were of higher quality than maps generated from the original centroid phases. In one of the test cases, the new method sufficiently improved a marginal set of experimental SAD phases to enable successful map interpretation. Lastly, a computer program, SISA, has been developed to apply this method for phase improvement in macromolecular crystallography.« less

A low-cost hierarchical nanostructured beta-titanium alloy with high strength

PubMed Central

Devaraj, Arun; Joshi, Vineet V.; Srivastava, Ankit; Manandhar, Sandeep; Moxson, Vladimir; Duz, Volodymyr A.; Lavender, Curt

2016-01-01

Lightweighting of automobiles by use of novel low-cost, high strength-to-weight ratio structural materials can reduce the consumption of fossil fuels and in turn CO2 emission. Working towards this goal we achieved high strength in a low cost β-titanium alloy, Ti–1Al–8V–5Fe (Ti185), by hierarchical nanostructure consisting of homogenous distribution of micron-scale and nanoscale α-phase precipitates within the β-phase matrix. The sequence of phase transformation leading to this hierarchical nanostructure is explored using electron microscopy and atom probe tomography. Our results suggest that the high number density of nanoscale α-phase precipitates in the β-phase matrix is due to ω assisted nucleation of α resulting in high tensile strength, greater than any current commercial titanium alloy. Thus hierarchical nanostructured Ti185 serves as an excellent candidate for replacing costlier titanium alloys and other structural alloys for cost-effective lightweighting applications. PMID:27034109

Low-energy effective worldsheet theory of a non-Abelian vortex in high-density QCD revisited: A regular gauge construction

NASA Astrophysics Data System (ADS)

Chatterjee, Chandrasekhar; Nitta, Muneto

2017-04-01

Color symmetry is spontaneously broken in quark matter at high density as a consequence of di-quark condensations with exhibiting color superconductivity. Non-Abelian vortices or color magnetic flux tubes stably exist in the color-flavor locked phase at asymptotically high density. The effective worldsheet theory of a single non-Abelian vortex was previously calculated in the singular gauge to obtain the C P2 model [1,2]. Here, we reconstruct the effective theory in a regular gauge without taking a singular gauge, confirming the previous results in the singular gauge. As a byproduct of our analysis, we find that non-Abelian vortices in high-density QCD do not suffer from any obstruction for the global definition of a symmetry breaking.

FP-LAPW calculations of equation of state and elastic properties of α and β phases of tungsten carbide at high pressure

NASA Astrophysics Data System (ADS)

Mishra, Vinayak; Chaturvedi, Shashank

2013-03-01

Tungsten carbide is used in high pressure devices therefore knowledge of its elastic properties and their pressure dependence is of utmost practical importance. In this paper we present first principles results of equation of state and elastic properties of α and β phases of tungsten carbide and compare our results with the available reported experimental results. These calculations have been performed using the FPLAPW method within the framework of density functional theory. Enthalpies of α and β phases of WC have been compared up to 350 GPa to investigate possibility of structural transformation. Density-dependent Grüneisen parameter has been deduced from P-V isotherm using the well-known Slater's formula. High pressure elastic constants of α and β phases of WC have been calculated by applying various distortions to the original crystal structure. The elastic properties such as bulk, shear and Young's moduli have been derived from the calculated elastic constants. Pressure-dependent longitudinal velocity, shear velocity, Debye temperature and melting temperature have been deduced from the elastic properties. These calculated properties are in good agreement with the available experimental results.

Kinetic boundaries and phase transformations of ice i at high pressure.

PubMed

Wang, Yu; Zhang, Huichao; Yang, Xue; Jiang, Shuqing; Goncharov, Alexander F

2018-01-28

Raman spectroscopy in diamond anvil cells has been employed to study phase boundaries and transformation kinetics of H 2 O ice at high pressures up to 16 GPa and temperatures down to 15 K. Ice i formed at nearly isobaric cooling of liquid water transforms on compression to high-density amorphous (HDA) ice at 1.1-3 GPa at 15-100 K and then crystallizes in ice vii with the frozen-in disorder (ice vii') which remains stable up to 14.1 GPa at 80 K and 15.9 GPa at 100 K. Unexpectedly, on decompression of ice vii', it transforms to ice viii in its domain of metastability, and then it relaxes into low-density amorphous (LDA) ice on a subsequent pressure release and warming up. On compression of ice i at 150-170 K, ice ix is crystallized and no HDA ice is found; further compression of ice ix results in the sequential phase transitions to stable ices vi and viii. Cooling ice i to 210 K at 0.3 GPa transforms it to a stable ice ii. Our extensive investigations provide previously missing information on the phase diagram of water, especially on the kinetic paths that result in formation of phases which otherwise are not accessible; these results are keys for understanding the phase relations including the formation of metastable phases. Our observations inform on the ice modifications that can occur naturally in planetary environments and are not accessible for direct observations.

Kinetic boundaries and phase transformations of ice i at high pressure

NASA Astrophysics Data System (ADS)

Wang, Yu; Zhang, Huichao; Yang, Xue; Jiang, Shuqing; Goncharov, Alexander F.

2018-01-01

Raman spectroscopy in diamond anvil cells has been employed to study phase boundaries and transformation kinetics of H2O ice at high pressures up to 16 GPa and temperatures down to 15 K. Ice i formed at nearly isobaric cooling of liquid water transforms on compression to high-density amorphous (HDA) ice at 1.1-3 GPa at 15-100 K and then crystallizes in ice vii with the frozen-in disorder (ice vii') which remains stable up to 14.1 GPa at 80 K and 15.9 GPa at 100 K. Unexpectedly, on decompression of ice vii', it transforms to ice viii in its domain of metastability, and then it relaxes into low-density amorphous (LDA) ice on a subsequent pressure release and warming up. On compression of ice i at 150-170 K, ice ix is crystallized and no HDA ice is found; further compression of ice ix results in the sequential phase transitions to stable ices vi and viii. Cooling ice i to 210 K at 0.3 GPa transforms it to a stable ice ii. Our extensive investigations provide previously missing information on the phase diagram of water, especially on the kinetic paths that result in formation of phases which otherwise are not accessible; these results are keys for understanding the phase relations including the formation of metastable phases. Our observations inform on the ice modifications that can occur naturally in planetary environments and are not accessible for direct observations.

Lattice-cell orientation disorder in complex spinel oxides

DOE PAGES

Chen, Yan; Cheng, Yongqiang; Li, Juchuan; ...

2016-11-07

Transition metal (TM) substitution has been widely applied to change complex oxides crystal structures to create high energy density electrodes materials in high performance rechargeable lithium-ion batteries. The complex local structure in the oxides imparted by the TM arrangement often impacts their electrochemical behaviors by influencing the diffusion and intercalation of lithium. Here, a major discrepancy is demonstrated between the global and local structures of the promising high energy density and high voltage LiNi 0.5Mn 1.5O 4 spinel cathode material that contradicts the existing structural models. A new single-phase lattice-cell orientation disorder model is proposed as the mechanism for themore » local ordering that explains how the inhomogeneous local distortions and the coherent connection give rise to the global structure in the complex oxide. As a result, the single-phase model is consistent with the electrochemical behavior observation of the materials.« less

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

Chen, Yan; Cheng, Yongqiang; Li, Juchuan

Transition metal (TM) substitution has been widely applied to change complex oxides crystal structures to create high energy density electrodes materials in high performance rechargeable lithium-ion batteries. The complex local structure in the oxides imparted by the TM arrangement often impacts their electrochemical behaviors by influencing the diffusion and intercalation of lithium. Here, a major discrepancy is demonstrated between the global and local structures of the promising high energy density and high voltage LiNi 0.5Mn 1.5O 4 spinel cathode material that contradicts the existing structural models. A new single-phase lattice-cell orientation disorder model is proposed as the mechanism for themore » local ordering that explains how the inhomogeneous local distortions and the coherent connection give rise to the global structure in the complex oxide. As a result, the single-phase model is consistent with the electrochemical behavior observation of the materials.« less

Motion of vortices in inhomogeneous Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Groszek, Andrew J.; Paganin, David M.; Helmerson, Kristian; Simula, Tapio P.

2018-02-01

We derive a general and exact equation of motion for a quantized vortex in an inhomogeneous two-dimensional Bose-Einstein condensate. This equation expresses the velocity of a vortex as a sum of local ambient density and phase gradients in the vicinity of the vortex. We perform Gross-Pitaevskii simulations of single-vortex dynamics in both harmonic and hard-walled disk-shaped traps, and find excellent agreement in both cases with our analytical prediction. The simulations reveal that, in a harmonic trap, the main contribution to the vortex velocity is an induced ambient phase gradient, a finding that contradicts the commonly quoted result that the local density gradient is the only relevant effect in this scenario. We use our analytical vortex velocity formula to derive a point-vortex model that accounts for both density and phase contributions to the vortex velocity, suitable for use in inhomogeneous condensates. Although good agreement is obtained between Gross-Pitaevskii and point-vortex simulations for specific few-vortex configurations, the effects of nonuniform condensate density are in general highly nontrivial, and are thus difficult to efficiently and accurately model using a simplified point-vortex description.

Development of Cell Analysis Software for Cultivated Corneal Endothelial Cells.

PubMed

Okumura, Naoki; Ishida, Naoya; Kakutani, Kazuya; Hongo, Akane; Hiwa, Satoru; Hiroyasu, Tomoyuki; Koizumi, Noriko

2017-11-01

To develop analysis software for cultured human corneal endothelial cells (HCECs). Software was designed to recognize cell borders and to provide parameters such as cell density, coefficient of variation, and polygonality of cultured HCECs based on phase contrast images. Cultured HCECs with high or low cell density were incubated with Ca-free and Mg-free phosphate-buffered saline for 10 minutes to reveal the cell borders and were then analyzed with software (n = 50). Phase contrast images showed that cell borders were not distinctly outlined, but these borders became more distinctly outlined after phosphate-buffered saline treatment and were recognized by cell analysis software. The cell density value provided by software was similar to that obtained using manual cell counting by an experienced researcher. Morphometric parameters, such as the coefficient of variation and polygonality, were also produced by software, and these values were significantly correlated with cell density (Pearson correlation coefficients -0.62 and 0.63, respectively). The software described here provides morphometric information from phase contrast images, and it enables subjective and noninvasive quality assessment for tissue engineering therapy of the corneal endothelium.

Process for fabricating articles of tungsten-nickel-iron alloy

DOEpatents

Northcutt, Jr., Walter G.; Snyder, Jr., William B.

1976-01-01

A high density W--Ni--Fe alloy of composition 85-96% by weight W and the remainder Ni and Fe in a wt. ratio of 5:5-8:2 having enhanced mechanical properties is prepared by compacting the mixed powders, sintering the compact in reducing atmosphere to near theoretical density followed by further sintering at a temperature where a liquid phase is present, vacuum annealing, and cold working to achieve high uniform hardness.

Phase comparator apparatus and method

DOEpatents

Coffield, F.E.

1985-02-01

This invention finds especially useful application for interferometer measurements made in plasma fusion devices (e.g., for measuring the line integral of electron density in the plasma). Such interferometers typically use very high intermediate frequencies (e.g., on the order of 10 to 70 MHz) and therefore the phase comparison circuitry should be a high speed circuit with a linear transfer characteristic so as to accurately differentiate between small fractions of interference fringes.

Electron-Hole Condensation in Semiconductors: Electrons and holes condense into freely moving liquid metallic droplets, a plasma phase with novel properties.

PubMed

Jeffries, C D

1975-09-19

In Ge and Si, and also in Ge-Si alloys (74), there is extensive evidence for the stable binding of electrons and holes into a cold plasma of constant density, which undergoes a phase separation. Liquid metallic drops 1 to 300 microm in size are formed, with lifetimes ranging from 0.1 to 600 microsec. For Ge a surprising amount is known: the phase diagram, the surface energy, the work function, the decay kinetics. Much less is known for Si. There is good agreement between theoretical and experimental values of the liquid density, the critical density, the critical temperature, and the binding energy. The stability of the liquid phase is strikingly dependent on band structure. The multivalley structure and mass anisotropy of Si, Ge, and Ge-Si, together with their indirect band gap, are no doubt responsible for the observed stability in these crystals. In the similar semiconductor gallium phosphide, drops have not yet been observed, most likely because the high impurity content traps the excitons. In gallium arsenide the existence of drops is controversial (75). Undoubtedly drops will be found to exist in other semiconductors, perhaps at even higher temperatures. This is an exciting field for the experimentalist; new phenomena are being rapidly discovered, usually before they are predicted. For the theorist, the electron-hole drop is of high intrinsic interest. It represents the first example of a quantum liquid of constant density in a periodic crystal lattice. A number of challenging experimental and theoretical problems remain.

Ground state structure of high-energy-density polymeric carbon monoxide

NASA Astrophysics Data System (ADS)

Xia, Kang; Sun, Jian; Pickard, Chris J.; Klug, Dennis D.; Needs, Richard J.

2017-04-01

Crystal structure prediction methods and first-principles calculations have been used to explore low-energy structures of carbon monoxide (CO). Contrary to the standard wisdom, the most stable structure of CO at ambient pressure was found to be a polymeric structure of P n a 21 symmetry rather than a molecular solid. This phase is formed from six-membered (four carbon + two oxygen) rings connected by C=C double bonds with two double-bonded oxygen atoms attached to each ring. Interestingly, the polymeric P n a 21 phase of CO has a much higher energy density than trinitrotoluene (TNT). On compression to about 7 GPa, P n a 21 is found to transform into another chainlike phase of C c symmetry which has similar ring units to P n a 21 . On compression to 12 GPa, it is energetically favorable for CO to polymerize into a purely single bonded C m c a phase, which is stable over a wide pressure range and transforms into the previously known C m c m phase at around 100 GPa. Thermodynamic stability of these structures was verified using calculations with different density functionals, including hybrid and van der Waals corrected functionals.

Wetting of heterogeneous substrates. A classical density-functional-theory approach

NASA Astrophysics Data System (ADS)

Yatsyshin, Peter; Parry, Andrew O.; Rascón, Carlos; Duran-Olivencia, Miguel A.; Kalliadasis, Serafim

2017-11-01

Wetting is a nucleation of a third phase (liquid) on the interface between two different phases (solid and gas). In many experimentally accessible cases of wetting, the interplay between the substrate structure, and the fluid-fluid and fluid-substrate intermolecular interactions leads to the appearance of a whole ``zoo'' of exciting interface phase transitions, associated with the formation of nano-droplets/bubbles, and thin films. Practical applications of wetting at small scales are numerous and include the design of lab-on-a-chip devices and superhydrophobic surfaces. In this talk, we will use a fully microscopic approach to explore the phase space of a planar wall, decorated with patches of different hydrophobicity, and demonstrate the highly non-trivial behaviour of the liquid-gas interface near the substrate. We will present fluid density profiles, adsorption isotherms and wetting phase diagrams. Our analysis is based on a formulation of statistical mechanics, commonly known as classical density-functional theory. It provides a computationally-friendly and rigorous framework, suitable for probing small-scale physics of classical fluids and other soft-matter systems. EPSRC Grants No. EP/L027186,EP/K503733;ERC Advanced Grant No. 247031.

FORMALDEHYDE AND METHANOL DEUTERATION IN PROTOSTARS: FOSSILS FROM A PAST FAST HIGH-DENSITY PRE-COLLAPSE PHASE

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

Taquet, V.; Ceccarelli, C.; Kahane, C.

Extremely high deuteration of several molecules has been observed around low-mass protostars for a decade. Among them, formaldehyde and methanol present particularly high deuteration, with observations of abundant doubly and triply deuterated forms. Both species are thought to be mainly formed on interstellar grains during the low-temperature and dense pre-collapse phase by H and D atom additions on the iced CO. We present here a theoretical study of the formaldehyde and methanol deuteration obtained with our gas-grain model, GRAINOBLE. This model takes into account the multilayer nature of the mantle and explores the robustness of the results against the uncertaintiesmore » of poorly constrained chemical and surface model parameters. The comparison of the model predictions with the observations leads to two major results: (1) the observed high deuteration is obtained during the last phase of the pre-collapse stage, when the density reaches {approx}5 Multiplication-Sign 10{sup 6} cm{sup -3}, and this phase is fast, lasting only several thousands years; and (2) D and H abstraction and substitution reactions are crucial in making up the observed deuteration ratios. This work shows the power of chemical composition as a tool to reconstruct the past history of protostars.« less

P- V- T equation of state of CaAl4Si2O11 CAS phase

NASA Astrophysics Data System (ADS)

Gréaux, Steeve; Nishiyama, Norimasa; Kono, Yoshio; Irifune, Tetsuo; Gautron, Laurent

2011-09-01

The thermoelastic parameters of the CAS phase (CaAl4Si2O11) were examined by in situ high-pressure (up to 23.7 GPa) and high-temperature (up to 2,100 K) synchrotron X-ray diffraction, using a Kawai-type multi-anvil press. P- V data at room temperature fitted to a third-order Birch-Murnaghan equation of state (BM EOS) yielded: V 0,300 = 324.2 ± 0.2 Å3 and K 0,300 = 164 ± 6 GPa for K' 0,300 = 6.2 ± 0.8. With K' 0,300 fixed to 4.0, we obtained: V 0,300 = 324.0 ± 0.1 Å3 and K 0,300 = 180 ± 1 GPa. Fitting our P- V- T data with a modified high-temperature BM EOS, we obtained: V 0,300 = 324.2 ± 0.1 Å3, K 0,300 = 171 ± 5 GPa, K' 0,300 = 5.1 ± 0.6 (∂ K 0 ,T /∂ T) P = -0.023 ± 0.006 GPa K-1, and α0 ,T = 3.09 ± 0.25 × 10-5 K-1. Using the equation of state parameters of the CAS phase determined in the present study, we calculated a density profile of a hypothetical continental crust that would contain ~10 vol% of CaAl4Si2O11. Because of the higher density compared with the coexisting minerals, the CAS phase is expected to be a plunging agent for continental crust subducted in the transition zone. On the other hand, because of the lower density compared with lower mantle minerals, the CAS phase is expected to remain buoyant in the lowermost part of the transition zone.

Crystal structure of simple metals at high pressures

NASA Astrophysics Data System (ADS)

Degtyareva, Olga

2010-09-01

The effects of pressure on the crystal structure of simple (or sp-) elements are analysed in terms of changes in coordination number, packing density, and interatomic distances, and general rules are established. In the polyvalent elements from groups 14-17, the covalently bonded structures tend to transform to metallic phases with a gradual increase in coordination number and packing density, a behaviour normally expected under pressure. Group 1 and 2 metallic elements, however, show a reverse trend towards structures with low packing density due to intricate changes in their electronic structure. Complex crystal structures such as host-guest and incommensurately modulated structures found in these elements are given special attention in this review in an attempt to determine their role in the observed phase-transition sequences.

Mapping the QCD Phase Transition with Accreting Compact Stars

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

Blaschke, D.; Bogoliubov Laboratory for Theoretical Physics, JINR Dubna, Joliot-Curie str. 6, 141980 Dubna; Poghosyan, G.

2008-10-29

We discuss an idea for how accreting millisecond pulsars could contribute to the understanding of the QCD phase transition in the high-density nuclear matter equation of state (EoS). It is based on two ingredients, the first one being a ''phase diagram'' of rapidly rotating compact star configurations in the plane of spin frequency and mass, determined with state-of-the-art hybrid equations of state, allowing for a transition to color superconducting quark matter. The second is the study of spin-up and accretion evolution in this phase diagram. We show that the quark matter phase transition leads to a characteristic line in themore » {omega}-M plane, the phase border between neutron stars and hybrid stars with a quark matter core. Along this line a drop in the pulsar's moment of inertia entails a waiting point phenomenon in the accreting millisecond pulsar (AMXP) evolution: most of these objects should therefore be found along the phase border in the {omega}-M plane, which may be viewed as the AMXP analog of the main sequence in the Hertzsprung-Russell diagram for normal stars. In order to prove the existence of a high-density phase transition in the cores of compact stars we need population statistics for AMXPs with sufficiently accurate determination of their masses, spin frequencies and magnetic fields.« less

Structural evolution of calcite at high temperatures: Phase V unveiled

PubMed Central

Ishizawa, Nobuo; Setoguchi, Hayato; Yanagisawa, Kazumichi

2013-01-01

The calcite form of calcium carbonate CaCO3 undergoes a reversible phase transition between Rc and Rm at ~1240 K under a CO2 atmosphere of ~0.4 MPa. The joint probability density function obtained from the single-crystal X-ray diffraction data revealed that the oxygen triangles of the CO3 group in the high temperature form (Phase V) do not sit still at specified positions in the space group Rm, but migrate along the undulated circular orbital about carbon. The present study also shows how the room temperature form (Phase I) develops into Phase V through an intermediate form (Phase IV) in the temperature range between ~985 K and ~1240 K. PMID:24084871

Systematic temporal patterns in the relationship between housing development and forest bird biodiversity.

PubMed

Pidgeon, Anna M; Flather, Curtis H; Radeloff, Volker C; Lepczyk, Christopher A; Keuler, Nicholas S; Wood, Eric M; Stewart, Susan I; Hammer, Roger B

2014-10-01

As people encroach increasingly on natural areas, one question is how this affects avian biodiversity. The answer to this is partly scale-dependent. At broad scales, human populations and biodiversity concentrate in the same areas and are positively associated, but at local scales people and biodiversity are negatively associated with biodiversity. We investigated whether there is also a systematic temporal trend in the relationship between bird biodiversity and housing development. We used linear regression to examine associations between forest bird species richness and housing growth in the conterminous United States over 30 years. Our data sources were the North American Breeding Bird Survey and the 2000 decennial U.S. Census. In the 9 largest forested ecoregions, housing density increased continually over time. Across the conterminous United States, the association between bird species richness and housing density was positive for virtually all guilds except ground nesting birds. We found a systematic trajectory of declining bird species richness as housing increased through time. In more recently developed ecoregions, where housing density was still low, the association with bird species richness was neutral or positive. In ecoregions that were developed earlier and where housing density was highest, the association of housing density with bird species richness for most guilds was negative and grew stronger with advancing decades. We propose that in general the relationship between human settlement and biodiversity over time unfolds as a 2-phase process. The first phase is apparently innocuous; associations are positive due to coincidence of low-density housing with high biodiversity. The second phase is highly detrimental to biodiversity, and increases in housing density are associated with biodiversity losses. The long-term effect on biodiversity depends on the final housing density. This general pattern can help unify our understanding of the relationship of human encroachment and biodiversity response. © 2014 Society for Conservation Biology.

The design of the optical Thomson scattering diagnostic for the National Ignition Facility.

PubMed

Datte, P S; Ross, J S; Froula, D H; Daub, K D; Galbraith, J; Glenzer, S; Hatch, B; Katz, J; Kilkenny, J; Landen, O; Manha, D; Manuel, A M; Molander, W; Montgomery, D; Moody, J; Swadling, G F; Weaver, J

2016-11-01

The National Ignition Facility (NIF) is a 192 laser beam facility designed to support the Stockpile Stewardship, High Energy Density and Inertial Confinement Fusion (ICF) programs. We report on the design of an Optical Thomson Scattering (OTS) diagnostic that has the potential to transform the community's understanding of NIF hohlraum physics by providing first principle, local, time-resolved measurements of under-dense plasma conditions. The system design allows operation with different probe laser wavelengths by manual selection of the appropriate beam splitter and gratings before the shot. A deep-UV probe beam (λ 0 -210 nm) will be used to optimize the scattered signal for plasma densities of 5 × 10 20 electrons/cm 3 while a 3ω probe will be used for experiments investigating lower density plasmas of 1 × 10 19 electrons/cm 3 . We report the phase I design of a two phase design strategy. Phase I includes the OTS telescope, spectrometer, and streak camera; these will be used to assess the background levels at NIF. Phase II will include the design and installation of a probe laser.

Phase-matched second- and third-harmonic generation in plasmas with density ripple

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

Dahiya, Deepak; Sajal, Vivek; Sharma, A. K.

The generation of second and third harmonics by the interaction of an ultrashort laser pulse with underdense plasma having a density ripple is studied at intensities I{lambda}{sup 2}=10{sup 16}-10{sup 19} W cm{sup -2} {mu}m{sup 2} using fully relativistic two-dimensional particle-in-cell simulations with high spectral resolution. A theoretical model is developed for second- and third-harmonic conversion efficiencies. When the laser is plane polarized in the simulation plane even and odd harmonics are excited in the same polarization as the laser polarization. The highest efficiency of generation of a specific harmonic occurs when the ripple wave vector value k{sub q} satisfies phase-matchingmore » conditions. The efficiency of phase-matched harmonic generation is an order of magnitude higher than the one without phase matching. The efficiency increases rapidly in weak and moderate relativistic regime and tends to saturate in strong relativistic regime. At moderately relativistic intensities and low plasma densities, the simulation and recent experimental results are fairly reproduced by an analytical theory.« less

Microscopic aspects of wetting using classical density functional theory

NASA Astrophysics Data System (ADS)

Yatsyshin, P.; Durán-Olivencia, M.-A.; Kalliadasis, S.

2018-07-01

Wetting is a rather efficient mechanism for nucleation of a phase (typically liquid) on the interface between two other phases (typically solid and gas). In many experimentally accessible cases of wetting, the interplay between the substrate structure, and the fluid–fluid and fluid–substrate intermolecular interactions brings about an entire ‘zoo’ of possible fluid configurations, such as liquid films with a thickness of a few nanometers, liquid nanodrops and liquid bridges. These fluid configurations are often associated with phase transitions occurring at the solid–gas interface and at lengths of just several molecular diameters away from the substrate. In this special issue article, we demonstrate how a fully microscopic classical density-functional framework can be applied to the efficient, rational and systematic exploration of the rich phase space of wetting phenomena. We consider a number of model prototype systems such as wetting on a planar wall, a chemically patterned wall and a wedge. Through density-functional computations we demonstrate that for these simply structured substrates the behaviour of the solid–gas interface is already highly complex and non-trivial.

Electrical 2π phase control of infrared light in a 350-nm footprint using graphene plasmons

NASA Astrophysics Data System (ADS)

Woessner, Achim; Gao, Yuanda; Torre, Iacopo; Lundeberg, Mark B.; Tan, Cheng; Watanabe, Kenji; Taniguchi, Takashi; Hillenbrand, Rainer; Hone, James; Polini, Marco; Koppens, Frank H. L.

2017-07-01

Modulating the amplitude and phase of light is at the heart of many applications such as wavefront shaping, transformation optics, phased arrays, modulators and sensors. Performing this task with high efficiency and small footprint is a formidable challenge. Metasurfaces and plasmonics are promising, but metals exhibit weak electro-optic effects. Two-dimensional materials, such as graphene, have shown great performance as modulators with small drive voltages. Here, we show a graphene plasmonic phase modulator that is capable of tuning the phase between 0 and 2π in situ. The device length of 350 nm is more than 30 times shorter than the 10.6 μm free-space wavelength. The modulation is achieved by spatially controlling the plasmon phase velocity in a device where the spatial carrier density profile is tunable. We provide a scattering theory for plasmons propagating through spatial density profiles. This work constitutes a first step towards two-dimensional transformation optics for ultracompact modulators and biosensing.

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

de Miguel, E.; Rull, L.F.; Gubbins, K.E.

Using molecular-dynamics computer simulation, we study the dynamical behavior of the isotropic and nematic phases of highly anisotropic molecular fluids. The interactions are modeled by means of the Gay-Berne potential with anisotropy parameters {kappa}=3 and {kappa}{prime}=5. The linear-velocity autocorrelation function shows no evidence of a negative region in the isotropic phase, even at the higher densities considered. The self-diffusion coefficient parallel to the molecular axis shows an anomalous increase with density as the system enters the nematic region. This enhancement in parallel diffusion is also observed in the isotropic side of the transition as a precursor effect. The molecular reorientationmore » is discussed in the light of different theoretical models. The Debye diffusion model appears to explain the reorientational mechanism in the nematic phase. None of the models gives a satisfactory account of the reorientation process in the isotropic phase.« less

Large-Scale Hybrid Density Functional Theory Calculations in the Condensed-Phase: Ab Initio Molecular Dynamics in the Isobaric-Isothermal Ensemble

NASA Astrophysics Data System (ADS)

Ko, Hsin-Yu; Santra, Biswajit; Distasio, Robert A., Jr.; Wu, Xifan; Car, Roberto

Hybrid functionals are known to alleviate the self-interaction error in density functional theory (DFT) and provide a more accurate description of the electronic structure of molecules and materials. However, hybrid DFT in the condensed-phase has a prohibitively high associated computational cost which limits their applicability to large systems of interest. In this work, we present a general-purpose order(N) implementation of hybrid DFT in the condensed-phase using Maximally localized Wannier function; this implementation is optimized for massively parallel computing architectures. This algorithm is used to perform large-scale ab initio molecular dynamics simulations of liquid water, ice, and aqueous ionic solutions. We have performed simulations in the isothermal-isobaric ensemble to quantify the effects of exact exchange on the equilibrium density properties of water at different thermodynamic conditions. We find that the anomalous density difference between ice I h and liquid water at ambient conditions as well as the enthalpy differences between ice I h, II, and III phases at the experimental triple point (238 K and 20 Kbar) are significantly improved using hybrid DFT over previous estimates using the lower rungs of DFT This work has been supported by the Department of Energy under Grants No. DE-FG02-05ER46201 and DE-SC0008626.

Role of bond adaptability in the passivation of colloidal quantum dot solids.

PubMed

Thon, Susanna M; Ip, Alexander H; Voznyy, Oleksandr; Levina, Larissa; Kemp, Kyle W; Carey, Graham H; Masala, Silvia; Sargent, Edward H

2013-09-24

Colloidal quantum dot (CQD) solids are attractive materials for photovoltaic devices due to their low-cost solution-phase processing, high absorption cross sections, and their band gap tunability via the quantum size effect. Recent advances in CQD solar cell performance have relied on new surface passivation strategies. Specifically, cadmium cation passivation of surface chalcogen sites in PbS CQDs has been shown to contribute to lowered trap state densities and improved photovoltaic performance. Here we deploy a generalized solution-phase passivation strategy as a means to improving CQD surface management. We connect the effects of the choice of metal cation on solution-phase surface passivation, film-phase trap density of states, minority carrier mobility, and photovoltaic power conversion efficiency. We show that trap passivation and midgap density of states determine photovoltaic device performance and are strongly influenced by the choice of metal cation. Supported by density functional theory simulations, we propose a model for the role of cations, a picture wherein metals offering the shallowest electron affinities and the greatest adaptability in surface bonding configurations eliminate both deep and shallow traps effectively even in submonolayer amounts. This work illustrates the importance of materials choice in designing a flexible passivation strategy for optimum CQD device performance.

Accuracy of ab initio electron correlation and electron densities in vanadium dioxide

NASA Astrophysics Data System (ADS)

Kylänpää, Ilkka; Balachandran, Janakiraman; Ganesh, Panchapakesan; Heinonen, Olle; Kent, Paul R. C.; Krogel, Jaron T.

2017-11-01

Diffusion quantum Monte Carlo results are used as a reference to analyze properties related to phase stability and magnetism in vanadium dioxide computed with various formulations of density functional theory. We introduce metrics related to energetics, electron densities and spin densities that give us insight on both local and global variations in the antiferromagnetic M1 and R phases. Importantly, these metrics can address contributions arising from the challenging description of the 3 d orbital physics in this material. We observe that the best description of energetics between the structural phases does not correspond to the best accuracy in the charge density, which is consistent with observations made recently by Medvedev et al. [Science 355, 371 (2017), 10.1126/science.aag0410] in the context of isolated atoms. However, we do find evidence that an accurate spin density connects to correct energetic ordering of different magnetic states in VO2, although local, semilocal, and meta-GGA functionals tend to erroneously favor demagnetization of the vanadium sites. The recently developed SCAN functional stands out as remaining nearly balanced in terms of magnetization across the M1-R transition and correctly predicting the ground state crystal structure. In addition to ranking current density functionals, our reference energies and densities serve as important benchmarks for future functional development. With our reference data, the accuracy of both the energy and the electron density can be monitored simultaneously, which is useful for functional development. So far, this kind of detailed high accuracy reference data for correlated materials has been absent from the literature.

Solid H2 in the interstellar medium

NASA Astrophysics Data System (ADS)

Füglistaler, A.; Pfenniger, D.

2018-06-01

Context. Condensation of H2 in the interstellar medium (ISM) has long been seen as a possibility, either by deposition on dust grains or thanks to a phase transition combined with self-gravity. H2 condensation might explain the observed low efficiency of star formation and might help to hide baryons in spiral galaxies. Aims: Our aim is to quantify the solid fraction of H2 in the ISM due to a phase transition including self-gravity for different densities and temperatures in order to use the results in more complex simulations of the ISM as subgrid physics. Methods: We used molecular dynamics simulations of fluids at different temperatures and densities to study the formation of solids. Once the simulations reached a steady state, we calculated the solid mass fraction, energy increase, and timescales. By determining the power laws measured over several orders of magnitude, we extrapolated to lower densities the higher density fluids that can be simulated with current computers. Results: The solid fraction and energy increase of fluids in a phase transition are above 0.1 and do not follow a power law. Fluids out of a phase transition are still forming a small amount of solids due to chance encounters of molecules. The solid mass fraction and energy increase of these fluids are linearly dependent on density and can easily be extrapolated. The timescale is below one second, the condensation can be considered instantaneous. Conclusions: The presence of solid H2 grains has important dynamic implications on the ISM as they may be the building blocks for larger solid bodies when gravity is included. We provide the solid mass fraction, energy increase, and timescales for high density fluids and extrapolation laws for lower densities.

Ceramic Ti—B Composites Synthesized by Combustion Followed by High-Temperature Deformation

PubMed Central

Bazhin, Pavel M.; Stolin, Alexander M.; Konstantinov, Alexander S.; Kostitsyna, Elena V.; Ignatov, Andrey S.

2016-01-01

Long compact cylindrical rods, which consist of a titanium monoboride-based TiB—30 wt % Ti ceramic composite material, are synthesized during combustion of the initial components (titanium, boron) followed by high-temperature deformation. High-temperature deformation is found to affect the orientation of the hardening titanium monoboride phase in the sample volume and the phase composition of the sample. The combustion temperature is studied as a function of the relative density of the initial workpiece under the experimental conditions. PMID:28774147

Ceramic Ti-B Composites Synthesized by Combustion Followed by High-Temperature Deformation.

PubMed

Bazhin, Pavel M; Stolin, Alexander M; Konstantinov, Alexander S; Kostitsyna, Elena V; Ignatov, Andrey S

2016-12-20

Long compact cylindrical rods, which consist of a titanium monoboride-based TiB-30 wt % Ti ceramic composite material, are synthesized during combustion of the initial components (titanium, boron) followed by high-temperature deformation. High-temperature deformation is found to affect the orientation of the hardening titanium monoboride phase in the sample volume and the phase composition of the sample. The combustion temperature is studied as a function of the relative density of the initial workpiece under the experimental conditions.

Nanoscale thermal cross-talk effect on phase-change probe memory.

PubMed

Wang, Lei; Wen, Jing; Xiong, Bangshu

2018-05-14

Phase-change probe memory is considered as one of the most promising means for next-generation mass storage devices. However, the achievable storage density of phase-change probe memory is drastically affected by the resulting thermal cross-talk effect while previously lacking of detailed study. Therefore, a three dimensional model that couples electrical, thermal, and phase-change processes of the Ge2Sb2Te5 media is developed, and subsequently deployed to assess the thermal cross-talk effect based on Si/TiN/ Ge2Sb2Te5/diamond-like carbon structure by appropriately tailoring the electro-thermal and geometrical properties of the storage media stack for a variety of external excitations. The modeling results show that the diamond-like carbon capping with a thin thickness, a high electrical conductivity, and a low thermal conductivity is desired to minimize the thermal cross-talk, while the TiN underlayer has a slight impact on the thermal cross-talk. Combining the modeling findings with the previous film deposition experience, an optimized phase-change probe memory architecture is presented, and its capability of providing ultra-high recording density simultaneously with a sufficiently low thermal cross-talk is demonstrated. . © 2018 IOP Publishing Ltd.

Theoretical and lidar studies of the density response of the mesospheric sodium layer to gravity wave perturbations

NASA Technical Reports Server (NTRS)

Shelton, J. D.; Gardner, C. S.

1981-01-01

The density response of atmospheric layers to gravity waves is developed in two forms, an exact solution and a perturbation series solution. The degree of nonlinearity in the layer density response is described by the series solution whereas the exact solution gives insight into the nature of the responses. Density perturbation in an atmospheric layer are shown to be substantially greater than the atmospheric density perturbation associated with the propagation of a gravity wave. Because of the density gradients present in atmospheric layers, interesting effects were observed such as a phase reversal in the linear layer response which occurs near the layer peak. Once the layer response is understood, the sodium layer can be used as a tracer of atmospheric wave motions. A two dimensional digital signal processing technique was developed. Both spatial and temporal filtering are utilized to enhance the resolution by decreasing shot noise by more han 10 dB. Many of the features associated with a layer density response to gravity waves were observed in high resolution density profiles of the mesospheric sodium layer. These include nonlinearities as well as the phase reversal in the linear layer response.

Gluon and ghost correlation functions of 2-color QCD at finite density

NASA Astrophysics Data System (ADS)

Hajizadeh, Ouraman; Boz, Tamer; Maas, Axel; Skullerud, Jon-Ivar

2018-03-01

2-color QCD, i. e. QCD with the gauge group SU(2), is the simplest non-Abelian gauge theory without sign problem at finite quark density. Therefore its study on the lattice is a benchmark for other non-perturbative approaches at finite density. To provide such benchmarks we determine the minimal-Landau-gauge 2-point and 3-gluon correlation functions of the gauge sector and the running gauge coupling at finite density. We observe no significant effects, except for some low-momentum screening of the gluons at and above the supposed high-density phase transition.

Improved locality of the phase-field lattice-Boltzmann model for immiscible fluids at high density ratios

NASA Astrophysics Data System (ADS)

Fakhari, Abbas; Mitchell, Travis; Leonardi, Christopher; Bolster, Diogo

2017-11-01

Based on phase-field theory, we introduce a robust lattice-Boltzmann equation for modeling immiscible multiphase flows at large density and viscosity contrasts. Our approach is built by modifying the method proposed by Zu and He [Phys. Rev. E 87, 043301 (2013), 10.1103/PhysRevE.87.043301] in such a way as to improve efficiency and numerical stability. In particular, we employ a different interface-tracking equation based on the so-called conservative phase-field model, a simplified equilibrium distribution that decouples pressure and velocity calculations, and a local scheme based on the hydrodynamic distribution functions for calculation of the stress tensor. In addition to two distribution functions for interface tracking and recovery of hydrodynamic properties, the only nonlocal variable in the proposed model is the phase field. Moreover, within our framework there is no need to use biased or mixed difference stencils for numerical stability and accuracy at high density ratios. This not only simplifies the implementation and efficiency of the model, but also leads to a model that is better suited to parallel implementation on distributed-memory machines. Several benchmark cases are considered to assess the efficacy of the proposed model, including the layered Poiseuille flow in a rectangular channel, Rayleigh-Taylor instability, and the rise of a Taylor bubble in a duct. The numerical results are in good agreement with available numerical and experimental data.

Possible existence of two amorphous phases of d-mannitol related by a first-order transition

NASA Astrophysics Data System (ADS)

Zhu, Men; Wang, Jun-Qiang; Perepezko, John H.; Yu, Lian

2015-06-01

We report that the common polyalcohol d-mannitol may have two amorphous phases related by a first-order transition. Slightly above its glass transition temperature Tg (284 K), the supercooled liquid (SCL) of d-mannitol transforms to a low-energy, apparently amorphous phase with stronger hydrogen bonds. The enthalpy of this so-called Phase X is approximately halfway between those of the known amorphous and crystalline phases, a position low for glass aging and high for crystal polymorphs. Similar to the SCL, Phase X is transparent with broad X-ray diffraction and Raman scattering; upon temperature cycling, it exhibits a glass-transition-like change of heat capacity. On fast heating, Phase X transforms back to the SCL near Tg + 50 K, enabling a determination of their equilibrium temperature. The presence of d-sorbitol as a plasticizer enables observation of a first-order transition from the SCL to Phase X entirely in the liquid state (liquid-liquid transition). The transition from d-mannitol's SCL to Phase X has intriguing similarities with the formation of the glacial phase of triphenyl phosphite (TPP) and the conversion from high-density to low-density amorphous ice, both studied intensely in the context of polyamorphism. All three processes occur near Tg with substantial enthalpy decrease toward the crystalline phases; the processes in water and d-mannitol both strengthen the hydrogen bonds. In contrast to TPP, d-mannitol's Phase X forms more rapidly and can transform back to the SCL. These features make d-mannitol a valuable new model for understanding polyamorphism.

Phase-locked, high power, mid-infrared quantum cascade laser arrays

NASA Astrophysics Data System (ADS)

Zhou, W.; Slivken, S.; Razeghi, M.

2018-04-01

We demonstrate phase-locked, high power quantum cascade laser arrays, which are combined using a monolithic, tree array multimode interferometer, with emission wavelengths around 4.8 μm. A maximum output power of 15 W was achieved from an eight-element laser array, which has only a slightly higher threshold current density and a similar slope efficiency compared to a Fabry-Perot laser of the same length. Calculated multimode interferometer splitting loss is on the order of 0.27 dB for the in-phase supermode. In-phase supermode operation with nearly ideal behavior is demonstrated over the working current range of the array.

Phase-locking of annular-combination CO2 laser

NASA Astrophysics Data System (ADS)

Qi, Tingxiang; Chen, Mei; Zhang, Rongzhu; Xiao, Qianyi

2015-07-01

A new annular-combination resonator structure adopting the external-injection phase-locking technology is presented theoretically for that the beam quality of stable annular resonator is not satisfying. The phase-locking principle and feasibility are characterized by energy density of injection beam and coupling coefficient. Based on the diffraction theory, output mode of the resonator with phase-locking is deduced and simulated. Results also confirm that injection beam have a good control effect on output mode. The intensity distributions of output beam are studied briefly and indicate that this new resonator which is adaptable to annular gain media can produce high-power laser beam with high quality.

Anode for rechargeable ambient temperature lithium cells

NASA Technical Reports Server (NTRS)

Huang, Chen-Kuo (Inventor); Surampudi, Subbarao (Inventor); Attia, Alan I. (Inventor); Halpert, Gerald (Inventor)

1994-01-01

An ambient room temperature, high density, rechargeable lithium battery includes a Li(x)Mg2Si negative anode which intercalates lithium to form a single crystalline phase when x is up to 1.0 and an amorphous phase when x is from 1 to 2.0. The electrode has good reversibility and mechanical strength after cycling.

Phase behaviour of disordered proteins underlying low density and high permeability of liquid organelles

NASA Astrophysics Data System (ADS)

Wei, Ming-Tzo; Elbaum-Garfinkle, Shana; Holehouse, Alex S.; Chen, Carlos Chih-Hsiung; Feric, Marina; Arnold, Craig B.; Priestley, Rodney D.; Pappu, Rohit V.; Brangwynne, Clifford P.

2017-11-01

Many intracellular membraneless organelles form via phase separation of intrinsically disordered proteins (IDPs) or regions (IDRs). These include the Caenorhabditis elegans protein LAF-1, which forms P granule-like droplets in vitro. However, the role of protein disorder in phase separation and the macromolecular organization within droplets remain elusive. Here, we utilize a novel technique, ultrafast-scanning fluorescence correlation spectroscopy, to measure the molecular interactions and full coexistence curves (binodals), which quantify the protein concentration within LAF-1 droplets. The binodals of LAF-1 and its IDR display a number of unusual features, including 'high concentration' binodal arms that correspond to remarkably dilute droplets. We find that LAF-1 and other in vitro and intracellular droplets are characterized by an effective mesh size of ∼3-8 nm, which determines the size scale at which droplet properties impact molecular diffusion and permeability. These findings reveal how specific IDPs can phase separate to form permeable, low-density (semi-dilute) liquids, whose structural features are likely to strongly impact biological function.

Influence of γ-phase on corrosion resistance of Zn–Ni alloy electrodeposition from acetate electrolytic bath

NASA Astrophysics Data System (ADS)

Selvaraju, V.; Thangaraj, V.

2018-05-01

The electrodeposition of Zn–Ni alloy containing 10% to 15% nickel was deposited from acetate electrolytic bath. The effect of current density, pH, temperature, cathodic current efficiency on the deposition of Zn–Ni alloy and the throwing power ability of the solution was investigated. The composition of the deposits and the morphology were strongly influenced by the temperature and applied current density. Corrosion resistance of a Zn–Ni alloy deposit was increases with the increase of current density. Zn–Ni alloy deposits shows higher corrosion resistance at optimum current density of 3.0 A dm‑2. X-Ray diffraction measurement confirms the presence of γ –phase Zn–Ni alloy deposition. The XRD reflection of Zn–Ni (831) was found to be increased with increase in current density. SEM studies reveal that the nanovial structure of Zn–Ni alloy deposited at 3.0 A dm‑2 gives high protection against corrosion.

Modified Hartree-Fock-Bogoliubov theory at finite temperature

NASA Astrophysics Data System (ADS)

Dinh Dang, Nguyen; Arima, Akito

2003-07-01

The modified Hartree-Fock-Bogoliubov (MHFB) theory at finite temperature is derived, which conserves the unitarity relation of the particle-density matrix. This is achieved by constructing a modified-quasiparticle-density matrix, where the fluctuation of the quasiparticle number is microscopically built in. This matrix can be directly obtained from the usual quasiparticle-density matrix by applying the secondary Bogoliubov transformation, which includes the quasiparticle-occupation number. It is shown that, in the limit of constant pairing parameter, the MHFB theory yields the previously obtained modified BCS (MBCS) equations. It is also proved that the modified quasiparticle-random-phase approximation, which is based on the MBCS quasiparticle excitations, conserves the Ikeda sum rule. The numerical calculations of the pairing gap, heat capacity, level density, and level-density parameter within the MBCS theory are carried out for 120Sn. The results show that the superfluid-normal phase transition is completely washed out. The applicability of the MBCS up to a temperature as high as T˜5 MeV is analyzed in detail.

Neutron diffraction measurement of residual stresses, dislocation density and texture in Zr-bonded U-10Mo “mini” fuel foils and plates

DOE PAGES

Brown, Donald William; Okuniewski, Maria A.; Sisneros, Thomas A.; ...

2016-12-01

Here, Al clad U-10Mo fuel plates are being considered for conversion of several research reactors from high-enriched to low-enriched U fuel. Neutron diffraction measurements of the textures, residual phase stresses, and dislocation densities in the individual phases of the mini-foils throughout several processing steps and following hot-isostatic pressing to the Al cladding, have been completed. Recovery and recrystallization of the bare U-10Mo fuel foil, as indicated by the dislocation density and texture, are observed depending on the state of the material prior to annealing and the duration and temperature of the annealing process. In general, the cladding procedure significantly reducesmore » the dislocation density, but the final state of the clad plate, both texture and dislocation density, depends strongly on the final processing step of the fuel foil. In contrast, the residual stress state of the final plate is dominated by the thermal expansion mismatch of the constituent materials.« less

Neutron diffraction measurement of residual stresses, dislocation density and texture in Zr-bonded U-10Mo “mini” fuel foils and plates

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

Brown, Donald William; Okuniewski, Maria A.; Sisneros, Thomas A.

Here, Al clad U-10Mo fuel plates are being considered for conversion of several research reactors from high-enriched to low-enriched U fuel. Neutron diffraction measurements of the textures, residual phase stresses, and dislocation densities in the individual phases of the mini-foils throughout several processing steps and following hot-isostatic pressing to the Al cladding, have been completed. Recovery and recrystallization of the bare U-10Mo fuel foil, as indicated by the dislocation density and texture, are observed depending on the state of the material prior to annealing and the duration and temperature of the annealing process. In general, the cladding procedure significantly reducesmore » the dislocation density, but the final state of the clad plate, both texture and dislocation density, depends strongly on the final processing step of the fuel foil. In contrast, the residual stress state of the final plate is dominated by the thermal expansion mismatch of the constituent materials.« less

Onset of two-dimensional superconductivity in space charge doped few-layer molybdenum disulfide

NASA Astrophysics Data System (ADS)

Biscaras, Johan; Chen, Zhesheng; Paradisi, Andrea; Shukla, Abhay

2015-11-01

Atomically thin films of layered materials such as molybdenum disulfide (MoS2) are of growing interest for the study of phase transitions in two-dimensions through electrostatic doping. Electrostatic doping techniques giving access to high carrier densities are needed to achieve such phase transitions. Here we develop a method of electrostatic doping which allows us to reach a maximum n-doping density of 4 × 1014 cm-2 in few-layer MoS2 on glass substrates. With increasing carrier density we first induce an insulator to metal transition and subsequently an incomplete metal to superconductor transition in MoS2 with critical temperature ~10 K. Contrary to earlier reports, after the onset of superconductivity, the superconducting transition temperature does not depend on the carrier density. Our doping method and the results we obtain in MoS2 for samples as thin as bilayers indicates the potential of this approach.

Method for producing metal oxide aerogels having densities less than 0.02 g/cc

DOEpatents

Tillotson, Thomas M.; Poco, John F.; Hrubesh, Lawrence W.; Thomas, Ian M.

1994-01-01

A two-step method is described for making transparent aerogels which have a density of less than 0.003 g/cm.sup.3 to those with a density of more than 0.8 g/cm.sup.3, by a sol/gel process and supercritical extraction. Condensed metal oxide intermediate made with purified reagents can be diluted to produce stable aerogels with a density of less than 0.02 g/cm.sup.3. High temperature, direct supercritical extraction of the liquid phase of the gel produces hydrophobic aerogels which are stable at atmospheric moisture conditions. Monolithic, homogeneous silica aerogels with a density of less than 0.02 to higher than 0.8 g/cm.sup.3, with high thermal insulation capacity, improved mechanical strength and good optical transparency, are described.

Use of free silicon in liquid phase sintering of silicon nitrides and sialons

DOEpatents

Raj, R.; Baik, S.

1985-11-12

This invention relates to the production of improved high density nitrogen based ceramics by liquid-phase densification of silicon nitride or a compound of silicon-nitrogen-oxygen-metal, e.g. a sialon. In the process and compositions of the invention minor amounts of finely divided silicon are employed together with the conventional liquid phase producing additives to enhance the densification of the resultant ceramic. 4 figs.

Use of free silicon in liquid phase sintering of silicon nitrides and sialons

DOEpatents

Raj, Rishi; Baik, Sunggi

1985-11-12

This invention relates to the production of improved high density nitrogen based ceramics by liquid-phase densification of silicon nitride or a compound of silicon-nitrogen-oxygen-metal, e.g. a sialon. In the process and compositions of the invention minor amounts of finely divided silicon are employed together with the conventional liquid phase producing additives to enhance the densification of the resultant ceramic.

X-ray imaging for studying behavior of liquids at high pressures and high temperatures using Paris-Edinburgh press.

PubMed

Kono, Yoshio; Kenney-Benson, Curtis; Shibazaki, Yuki; Park, Changyong; Wang, Yanbin; Shen, Guoyin

2015-07-01

Several X-ray techniques for studying structure, elastic properties, viscosity, and immiscibility of liquids at high pressures have been integrated using a Paris-Edinburgh press at the 16-BM-B beamline of the Advanced Photon Source. Here, we report the development of X-ray imaging techniques suitable for studying behavior of liquids at high pressures and high temperatures. White X-ray radiography allows for imaging phase separation and immiscibility of melts at high pressures, identified not only by density contrast but also by phase contrast imaging in particular for low density contrast liquids such as silicate and carbonate melts. In addition, ultrafast X-ray imaging, at frame rates up to ∼10(5) frames/second (fps) in air and up to ∼10(4) fps in Paris-Edinburgh press, enables us to investigate dynamics of liquids at high pressures. Very low viscosities of melts similar to that of water can be reliably measured. These high-pressure X-ray imaging techniques provide useful tools for understanding behavior of liquids or melts at high pressures and high temperatures.

Noninvasive characterization of the fission yeast cell cycle by monitoring dry mass with digital holographic microscopy.

PubMed

Rappaz, Benjamin; Cano, Elena; Colomb, Tristan; Kühn, Jonas; Depeursinge, Christian; Simanis, Viesturs; Magistretti, Pierre J; Marquet, Pierre

2009-01-01

Digital holography microscopy (DHM) is an optical technique which provides phase images yielding quantitative information about cell structure and cellular dynamics. Furthermore, the quantitative phase images allow the derivation of other parameters, including dry mass production, density, and spatial distribution. We have applied DHM to study the dry mass production rate and the dry mass surface density in wild-type and mutant fission yeast cells. Our study demonstrates the applicability of DHM as a tool for label-free quantitative analysis of the cell cycle and opens the possibility for its use in high-throughput screening.

High Density Ion Implanted Contiguous Disk Bubble Technology.

DTIC Science & Technology

1987-10-31

magnetic garnet films were grown by liquid phase epitaxy ( LPE ) from a Bi 20 3-PbO flux system. Films were grown with a 600C to 700C supercooling at...Matsutera, "Large Magnetic Anisotropy Change Induced By Hydrogen Ion Implantation In Europium Iron Garnet LPE Films ", J. of Magnetism and Magnetic...summarizes the design, development and growth of various bubble garnet films in our facility, to be used in the fabrication of high density bubble storage

High Energy Storage Density and Impedance Response of PLZT2/95/5 Antiferroelectric Ceramics

PubMed Central

Li, Bi; Liu, Qiuxiang; Tang, Xingui; Zhang, Tianfu; Jiang, Yanping; Li, Wenhua; Luo, Jie

2017-01-01

(Pb0.97La0.02)(Zr0.95Ti0.05)O3 (PLZT2/95/5) ceramics were successfully prepared via a solid-state reaction route. The dielectric properties were investigated in the temperature region of 26–650 °C. The dielectric diffuse anomaly in the dielectric relaxation was found in the high temperature region of 600–650 °C with increasing the measuring frequency, which was related to the dynamic thermal process of ionized oxygen vacancies generated in the high temperature. Two phase transition points were detected during heating, which were found to coexist from 150 to 200 °C. Electric field induced ferroelectric to antiferroelectric phase transition behavior of the (Pb0.97La0.02)(Zr0.95Ti0.05)O3 ceramics was investigated in this work with an emphasis on energy storage properties. A recoverable energy-storage density of 0.83 J/cm3 and efficiency of 70% was obtained in (Pb0.97La0.02)(Zr0.95Ti0.05)O3 ceramics at 55 kV/cm. Based on these results, (Pb0.97La0.02)(Zr0.95Ti0.05)O3 ceramics with a large recoverable energy-storage density could be a potential candidate for the applications in high energy-storage density ceramic capacitors. PMID:28772503

Self-organization of dislocation-free, high-density, vertically aligned GaN nanocolumns involving InGaN quantum wells on graphene/SiO2 covered with a thin AlN buffer layer.

PubMed

Hayashi, Hiroaki; Konno, Yuta; Kishino, Katsumi

2016-02-05

We demonstrated the self-organization of high-density GaN nanocolumns on multilayer graphene (MLG)/SiO2 covered with a thin AlN buffer layer by RF-plasma-assisted molecular beam epitaxy. MLG/SiO2 substrates were prepared by the transfer of CVD graphene onto thermally oxidized SiO2/Si [100] substrates. Employing the MLG with an AlN buffer layer enabled the self-organization of high-density and vertically aligned nanocolumns. Transmission electron microscopy observation revealed that no threading dislocations, stacking faults, or twinning defects were included in the self-organized nanocolumns. The photoluminescence (PL) peak intensities of the self-organized GaN nanocolumns were 2.0-2.6 times higher than those of a GaN substrate grown by hydride vapor phase epitaxy. Moreover, no yellow luminescence or ZB-phase GaN emission was observed from the nanocolumns. An InGaN/GaN MQW and p-type GaN were integrated into GaN nanocolumns grown on MLG, displaying a single-peak PL emission at a wavelength of 533 nm. Thus, high-density nitride p-i-n nanocolumns were fabricated on SiO2/Si using the transferred MLG interlayer, indicating the possibility of developing visible nanocolumn LEDs on graphene/SiO2.

High energy density and efficiency achieved in nanocomposite film capacitors via structure modulation

NASA Astrophysics Data System (ADS)

Zeng, Yi; Shen, Zhong-Hui; Shen, Yang; Lin, Yuanhua; Nan, Ce-Wen

2018-03-01

Flexible dielectric polymer films with high energy storage density and high charge-discharge efficiency have been considered as promising materials for electrical power applications. Here, we design hierarchical structured nanocomposite films using nonlinear polymer poly(vinylidene fluoride-HFP) [P(VDF-HFP)] with inorganic h-boron nitride (h-BN) nanosheets by electrospinning and hot-pressing methods. Our results show that the addition of h-BN nanosheets and the design of the hierarchical multilayer structure in the nanocomposites can remarkably enhance the charge-discharge efficiency and energy density. A high charge-discharge efficiency of 78% and an energy density of 21 J/cm3 can be realized in the 12-layered PVDF/h-BN nanocomposite films. Phase-field simulation results reveal that the spatial distribution of the electric field in these hierarchical structured films affects the charge-discharge efficiency and energy density. This work provides a feasible route, i.e., structure modulation, to improve the energy storage performances for nanocomposite films.

Carbon in iron phases under high pressure

NASA Astrophysics Data System (ADS)

Huang, L.; Skorodumova, N. V.; Belonoshko, A. B.; Johansson, B.; Ahuja, R.

2005-11-01

The influence of carbon impurities on the properties of iron phases (bcc, hcp, dhcp, fcc) has been studied using the first-principles projector augmented-wave (PAW) method for a wide pressure range. It is shown that the presence of ~6 at. % of interstitial carbon has a little effect on the calculated structural sequence of the iron phases under high pressure. The bcc -> hcp transition both for pure iron and iron containing carbon takes place around 9 GPa. According to the enthalpies comparison, the solubility of carbon into the iron solid is decreased by high pressure. The coexistence of iron carbide (Fe3C) + pure hcp Fe is most stable phase at high pressure compared with other phases. Based on the analysis of the pressure-density dependences for Fe3C and hcp Fe, we suggest that there might be some fraction of iron carbide present in the core.

Ab-initio study of pressure evolution of structural, mechanical and magnetic properties of cementite (Fe3C) phase

NASA Astrophysics Data System (ADS)

Gorai, S.; Ghosh, P. S.; Bhattacharya, C.; Arya, A.

2018-04-01

The pressure evolution of phase stability, structural and mechanical properties of Fe3C in ferro-magnetic (FM) and high pressure non magnetic (NM) phase is investigated from first principle calculations. The 2nd order FM to NM phase transition of Fe3C is identified around 60 GPa. Pressure (or density) variation of sound velocities from our ab-initio calculated single crystal elastic constants are determined to predict these parameters at Earth's outer core pressure.

Hybrid glasses from strong and fragile metal-organic framework liquids

PubMed Central

Bennett, Thomas D.; Tan, Jin-Chong; Yue, Yuanzheng; Baxter, Emma; Ducati, Caterina; Terrill, Nick J.; Yeung, Hamish H. -M.; Zhou, Zhongfu; Chen, Wenlin; Henke, Sebastian; Cheetham, Anthony K.; Greaves, G. Neville

2015-01-01

Hybrid glasses connect the emerging field of metal-organic frameworks (MOFs) with the glass formation, amorphization and melting processes of these chemically versatile systems. Though inorganic zeolites collapse around the glass transition and melt at higher temperatures, the relationship between amorphization and melting has so far not been investigated. Here we show how heating MOFs of zeolitic topology first results in a low density ‘perfect' glass, similar to those formed in ice, silicon and disaccharides. This order–order transition leads to a super-strong liquid of low fragility that dynamically controls collapse, before a subsequent order–disorder transition, which creates a more fragile high-density liquid. After crystallization to a dense phase, which can be remelted, subsequent quenching results in a bulk glass, virtually identical to the high-density phase. We provide evidence that the wide-ranging melting temperatures of zeolitic MOFs are related to their network topologies and opens up the possibility of ‘melt-casting' MOF glasses. PMID:26314784

Hybrid glasses from strong and fragile metal-organic framework liquids.

PubMed

Bennett, Thomas D; Tan, Jin-Chong; Yue, Yuanzheng; Baxter, Emma; Ducati, Caterina; Terrill, Nick J; Yeung, Hamish H-M; Zhou, Zhongfu; Chen, Wenlin; Henke, Sebastian; Cheetham, Anthony K; Greaves, G Neville

2015-08-28

Hybrid glasses connect the emerging field of metal-organic frameworks (MOFs) with the glass formation, amorphization and melting processes of these chemically versatile systems. Though inorganic zeolites collapse around the glass transition and melt at higher temperatures, the relationship between amorphization and melting has so far not been investigated. Here we show how heating MOFs of zeolitic topology first results in a low density 'perfect' glass, similar to those formed in ice, silicon and disaccharides. This order-order transition leads to a super-strong liquid of low fragility that dynamically controls collapse, before a subsequent order-disorder transition, which creates a more fragile high-density liquid. After crystallization to a dense phase, which can be remelted, subsequent quenching results in a bulk glass, virtually identical to the high-density phase. We provide evidence that the wide-ranging melting temperatures of zeolitic MOFs are related to their network topologies and opens up the possibility of 'melt-casting' MOF glasses.

Current-driven dynamics of skyrmions stabilized in MnSi nanowires revealed by topological Hall effect

PubMed Central

Liang, Dong; DeGrave, John P.; Stolt, Matthew J.; Tokura, Yoshinori; Jin, Song

2015-01-01

Skyrmions hold promise for next-generation magnetic storage as their nanoscale dimensions may enable high information storage density and their low threshold for current-driven motion may enable ultra-low energy consumption. Skyrmion-hosting nanowires not only serve as a natural platform for magnetic racetrack memory devices but also stabilize skyrmions. Here we use the topological Hall effect (THE) to study phase stability and current-driven dynamics of skyrmions in MnSi nanowires. THE is observed in an extended magnetic field-temperature window (15–30 K), suggesting stabilization of skyrmions in nanowires compared with the bulk. Furthermore, we show in nanowires that under the high current density of 108–109 A m−2, the THE decreases with increasing current densities, which demonstrates the current-driven motion of skyrmions generating the emergent electric field in the extended skyrmion phase region. These results open up the exploration of skyrmions in nanowires for fundamental physics and magnetic storage technologies. PMID:26400204

High-pressure and high-temperature physical properties of LiF studied by density functional theory calculations and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Sun, Xiao-Wei; Liu, Zi-Jiang; Quan, Wei-Long; Song, Ting; Khenata, Rabah; Bin-Omran, Saad

2018-05-01

Using the revised Perdew-Burke-Ernzerhof generalized gradient approximation based on first-principles plane-wave pseudopotential density functional theory, the high-pressure structural phase transition of LiF is explored. From the analysis of Gibbs free energies, we find that no phase transition occurs for LiF in the presented pressure range from 0 to 1000 GPa, and this result is consistent with the theoretical prediction obtained via ab initio calculations [N.A. Smirnov, Phys. Rev. B 83 (2011) 014109]. Using the classical molecular dynamics technique with effective pair potentials which consist of the Coulomb, dispersion, and repulsion interaction, the melting phase diagram of LiF is determined. The obtained normalized volumes under pressure are in good agreement with our density functional theory results and the available experimental data. Meanwhile, with the help of the quasi-harmonic Debye model in which the phononic effects are considered, the thermodynamic properties of interest, including the volume thermal expansion coefficient, isothermal bulk modulus and its first and second pressure derivatives, heat capacity at constant volume, entropy, Debye temperature, and Grüneisen parameter of LiF are predicted systematically. All the properties of LiF with the stable NaCl-type structure in the temperature range of 0-4900 K and the pressure up to 1000 GPa are summarized.

High power density dc-to-dc converters for aerospace applications

NASA Technical Reports Server (NTRS)

Divan, Deepakraj M.

1990-01-01

Three dc-to-dc converter topologies aimed at high-power high-frequency applications are introduced. Major system parasitics, namely, the leakage inductance of the transformer and the device output capacitance are efficiently utilized. Of the three circuits, the single-phase and three-phase versions of the dual active bridge topology demonstrate minimal stresses, better utilization of the transformer, bidirectional, and buck-boost modes of operation. All circuits operate at a constant switching frequency, thus simplifying design of the reactive elements. The power transfer characteristics and soft-switching regions on the Vout-Iout plane are identified. Two coaxial transformers with different cross-sections were built for a rating of 50 kVA. Based on the single-phase dual active bridge topology, a 50 kW, 50 kHz converter operating at an input voltage of 200 Vdc and an output voltage of 1600 Vdc was fabricated. Characteristics of current-fed output make the dual active bridge topologies amenable to paralleling and hence extension to megawatt power levels. Projections to a 1 MW system operating from a 500 Vdc input, at an output voltage of 10 kVdc and a switching frequency of 50 kHz, using MOS-controlled thyristors, coaxially wound transformers operating at three times the present current density with cooling, and multilayer ceramic capacitors, suggests an overall power density of 0.075 to 0.08 kg/kW and an overall efficiency of 96 percent.

High-pressure structural study of MnF 2

DOE PAGES

Stavrou, Elissaios; Yao, Yansun; Goncharov, Alexander F.; ...

2015-02-01

In this study, manganese fluoride (MnF 2) with the tetragonal rutile-type structure has been studied using a synchrotron angle-dispersive powder x-ray diffraction and Raman spectroscopy in a diamond anvil cell up to 60 GPa at room temperature combined with first-principles density functional calculations. The experimental data reveal two pressure-induced structural phase transitions with the following sequence: rutile → SrI 2 type (3 GPa)→ α–PbCl 2 type (13 GPa). Complete structural information, including interatomic distances, has been determined in the case of MnF 2 including the exact structure of the debated first high-pressure phase. First-principles density functional calculations confirm this phasemore » transition sequence, and the two calculated transition pressures are in excellent agreement with the experiment. Lattice dynamics calculations also reproduce the experimental Raman spectra measured for the ambient and high-pressure phases. The results are discussed in line with the possible practical use of rutile-type fluorides in general and specifically MnF 2 as a model compound to reveal the HP structural behavior of rutile-type SiO 2 (Stishovite).« less

Interaction of high density lipoprotein particles with membranes containing cholesterol.

PubMed

Sanchez, Susana A; Tricerri, Maria A; Gratton, Enrico

2007-08-01

In this study, free cholesterol (FC) efflux mediated by human HDL was investigated using fluorescence methodologies. The accessibility of FC to HDL may depend on whether it is located in regions rich in unsaturated phospholipids or in domains containing high levels of FC and sphingomyelin, known as "lipid rafts." Laurdan generalized polarization and two-photon microscopy were used to quantify FC removal from different pools in the bilayer of giant unilamellar vesicles (GUVs). GUVs made of POPC and FC were observed after incubation with reconstituted particles containing apolipoprotein A-I and POPC [78A diameter reconstituted high density lipoprotein (rHDL)]. Fluorescence correlation spectroscopy data show an increase in rHDL size during the incubation period. GUVs made of two "raft-like" mixtures [DOPC/DPPC/FC (1:1:1) and POPC/SPM/FC (6:1:1)] were used to model liquid-ordered/liquid-disordered phase coexistence. Through these experiments, we conclude that rHDL preferentially removes cholesterol from the more fluid phases. These data, and their extrapolation to in vivo systems, show the significant role that phase separation plays in the regulation of cholesterol homeostasis.

A Novel High-Density Phase and Amorphization of Nitrogen-Rich 1H-Tetrazole (CH2N4) under High Pressure

PubMed Central

Li, Wenbo; Huang, Xiaoli; Bao, Kuo; Zhao, Zhonglong; Huang, Yanping; Wang, Lu; Wu, Gang; Zhou, Bo; Duan, Defang; Li, Fangfei; Zhou, Qiang; Liu, Bingbing; Cui, Tian

2017-01-01

The high-pressure behaviors of nitrogen-rich 1H-tetrazole (CH2N4) have been investigated by in situ synchrotron X-ray diffraction (XRD) and Raman scattering up to 75 GPa. A first crystalline-to-crystalline phase transition is observed and identified above ~3 GPa with a large volume collapse (∼18% at 4.4 GPa) from phase I to phase II. The new phase II forms a dimer-like structure, belonging to P1 space group. Then, a crystalline-to-amorphous phase transition takes place over a large pressure range of 13.8 to 50 GPa, which is accompanied by an interphase region approaching paracrystalline state. When decompression from 75 GPa to ambient conditions, the final product keeps an irreversible amorphous state. Our ultraviolet (UV) absorption spectrum suggests the final product exhibits an increase in molecular conjugation. PMID:28218236

A Novel High-Density Phase and Amorphization of Nitrogen-Rich 1H-Tetrazole (CH2N4) under High Pressure.

PubMed

Li, Wenbo; Huang, Xiaoli; Bao, Kuo; Zhao, Zhonglong; Huang, Yanping; Wang, Lu; Wu, Gang; Zhou, Bo; Duan, Defang; Li, Fangfei; Zhou, Qiang; Liu, Bingbing; Cui, Tian

2017-02-20

The high-pressure behaviors of nitrogen-rich 1H-tetrazole (CH 2 N 4 ) have been investigated by in situ synchrotron X-ray diffraction (XRD) and Raman scattering up to 75 GPa. A first crystalline-to-crystalline phase transition is observed and identified above ~3 GPa with a large volume collapse (∼18% at 4.4 GPa) from phase I to phase II. The new phase II forms a dimer-like structure, belonging to P1 space group. Then, a crystalline-to-amorphous phase transition takes place over a large pressure range of 13.8 to 50 GPa, which is accompanied by an interphase region approaching paracrystalline state. When decompression from 75 GPa to ambient conditions, the final product keeps an irreversible amorphous state. Our ultraviolet (UV) absorption spectrum suggests the final product exhibits an increase in molecular conjugation.

Using a short-pulse diffraction-limited laser beam to probe filamentation of a random phase plate smoothed beam.

PubMed

Kline, J L; Montgomery, D S; Flippo, K A; Johnson, R P; Rose, H A; Shimada, T; Williams, E A

2008-10-01

A short pulse (few picoseconds) laser probe provides high temporal resolution measurements to elucidate details of fast dynamic phenomena not observable with typical longer laser pulse probes and gated diagnostics. Such a short pulse laser probe (SPLP) has been used to measure filamentation of a random phase plate (RPP) smoothed laser beam in a gas-jet plasma. The plasma index of refraction due to driven density and temperature fluctuations by the RPP beam perturbs the phase front of a SPLP propagating at a 90 degree angle with respect to the RPP interaction beam. The density and temperature fluctuations are quasistatic on the time scale of the SPLP (approximately 2 ps). The transmitted near-field intensity distribution from the SPLP provides a measure of the phase front perturbation. At low plasma densities, the transmitted intensity pattern is asymmetric with striations across the entire probe beam in the direction of the RPP smoothed beam. As the plasma density increases, the striations break up into smaller sizes along the direction of the RPP beam propagation. The breakup of the intensity pattern is consistent with self-focusing of the RPP smoothed interaction beam. Simulations of the experiment using the wave propagation code, PF3D, are in qualitative agreement demonstrating that the asymmetric striations can be attributed to the RPP driven density fluctuations. Quantification of the beam breakup measured by the transmitted SPLP could lead to a new method for measuring self-focusing of lasers in underdense plasmas.

Proceedings of RIKEN BNL Resarch Center Workshop: Fluctuations, Correlations and RHIC Low Energy Runs

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

Karsch, F.; Kojo, T.; Mukherjee, S.

Most of our visible universe is made up of hadronic matter. Quantum Chromodynamics (QCD) is the theory of strong interaction that describes the hadronic matter. However, QCD predicts that at high enough temperatures and/or densities ordinary hadronic matter ceases to exist and a new form of matter is created, the so-called Quark Gluon Plasma (QGP). Non-perturbative lattice QCD simulations shows that for high temperature and small densities the transition from the hadronic to the QCD matter is not an actual phase transition, rather it takes place via a rapid crossover. On the other hand, it is generally believed that atmore » zero temperature and high densities such a transition is an actual first order phase transition. Thus, in the temperature-density phase diagram of QCD, the first order phase transition line emanating from the zero temperature high density region ends at some higher temperature where the transition becomes a crossover. The point at which the first order transition line turns into a crossover is a second order phase transition point belonging to three dimensional Ising universality class. This point is known as the QCD Critical End Point (CEP). For the last couple of years the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory has been performing experiments at lower energies in search of the elusive QCD CEP. In general critical behaviors are manifested through appearance of long range correlations and increasing fluctuations associated with the presence of mass-less modes in the vicinity of a second order phase transition. Experimental signatures of the CEP are likely to be found in observables related to fluctuations and correlations. Thus, one of the major focuses of the RHIC low energy scan program is to measure various experimental observables connected to fluctuations and correlations. On the other hand, with the start of the RHIC low energy scan program, a flurry of activities are taking place to provide solid theoretical background for the search of the CEP using observables related to fluctuations and correlations. While new data are pouring in from the RHIC low energy scan program, many recent advances have also been made in the phenomenological and lattice gauge theory sides in order to have a better theoretical understanding of the wealth of new data. This workshop tried to create a synergy between the experimental, phenomenological and lattice QCD aspects of the fluctuation and correlation related studies of the RHIC low energy scan program. The workshop brought together all the leading experts from related fields under the same forum to share new ideas among themselves in order to streamline the continuing search of CEP in the RHIC low energy scan program.« less

The triglyceride to high-density lipoprotein cholesterol (TG/HDL-C) ratio as a predictor of insulin resistance but not of β cell function in a Chinese population with different glucose tolerance status.

PubMed

Zhou, Meicen; Zhu, Lixin; Cui, Xiangli; Feng, Linbo; Zhao, Xuefeng; He, Shuli; Ping, Fan; Li, Wei; Li, Yuxiu

2016-06-07

Triglyceride/high-density lipoprotein-cholesterol (TG/HDL-C) ratio was a surrogate marker of IR; however, the relationship of TG/HDL-C with IR might vary by ethnicity. This study aims to investigate whether lipid ratios-TG/HDL-C, cholesterol/high-density lipoprotein-cholesterol (TC/HDL-C) ratio, low-density lipoprotein-cholesterol/high-density lipoprotein-cholesterol (LDL-C/HDL-C)) could be potential clinical markers of insulin resistance (IR) and β cell function and further to explore the optimal cut-offs in a Chinese population with different levels of glucose tolerance. Four hundred seventy-nine subjects without a history of diabetes underwent a 75 g 2 h Oral Glucose Tolerance Test (OGTT). New-onset diabetes (n = 101), pre-diabetes (n = 186), and normal glucose tolerance (n = 192) were screened. IR was defined by HOMA-IR > 2.69. Based on indices (HOMA-β, early-phase disposition index [DI30], (ΔIns30/ΔGlu30)/HOMA-IR and total-phase index [DI120]) that indicated different phases of insulin secretion, the subjects were divided into two groups, and the lower group was defined as having inadequate β cell compensation. Logistic regression models and accurate estimates of the areas under receiver operating characteristic curves (AUROC) were obtained. In all of the subjects, TG/HDL, TC/HDL-C, LDL-C/HDL-C, and TG were significantly associated with IR. The AUROCs of TG/HDL-C and TG were 0.71 (95 % CI: 0.66-0.75) and 0.71 (95 % CI: 0.65-0.75), respectively. The optimal cut-offs of TG/HDL-C and TG for IR diagnosis were 1.11 and 1.33 mmol/L, respectively. The AUROCs of TC/HDL-C and LDL-C/HDL-C were 0.66 and 0.65, respectively, but they were not acceptable for IR diagnosis. TG/HDL-C,LDL-C/HDL-C and TG were significantly associated with HOMA-β, but AUROCs were less than 0.50; therefore, the lipid ratios could not be predictors of basal β cell dysfunction. None of the lipid ratios was associated with early-phase insulin secretion. Only TG/HDL-C and TG were significantly correlated with total-phase insulin secretion, but they also were not acceptable predictors of total-phase insulin secretion (0.60 < AUROC < 0.70). In a Chinese population with different levels of glucose tolerance, TG/HDL-C and TG could be the predictors of IR. The lipid ratios could not be reliable makers of β cell function in the population.

High-pressure phase transitions and subduction behavior of continental crust at pressure-temperature conditions up to the upper part of the lower mantle

NASA Astrophysics Data System (ADS)

Ishii, Takayuki; Kojitani, Hiroshi; Akaogi, Masaki

2012-12-01

We precisely determined detailed phase relations of upper continental crust (UCC) at 20-28 GPa and 1200-1800 °C across the 660-km discontinuity conditions with a high-pressure multi-anvil apparatus. We used multi-sample chambers packed with both of UCC and pressure marker, and they were kept simultaneously at the same high-pressure and high-temperature conditions in each run. The high-pressure experiments were carried out in pressure and temperature intervals of about 1 GPa and 200 °C, respectively. At 22-25 GPa and 1600-1800 °C, UCC transformed from the assemblage of CaAl4Si2O11-rich phase (CAS)+clinopyroxene+garnet+hollandite+stishovite to that of calcium ferrite+calcium perovskite+hollandite+stishovite via the assemblage of CAS+calcium ferrite+calcium perovskite+garnet+hollandite+stishovite. No CAS was observed at 1200 °C. The textures and grain sizes in the run products suggested that hollandite (II) (monoclinic symmetry) was stable above 24-25 GPa and transformed to hollandite (I) (tetragonal symmetry) during decompression. We calculated the density of UCC at high pressure and high temperature from the mineral proportions which were calculated from the mineral compositions. UCC has a higher density than PREM up to 23.5 GPa in the range of 1200-1800 °C. Above 24 GPa, the density of UCC is lower than that of PREM at 1600-1800 °C, but is almost equal to that at 1400 °C and higher than PREM at temperature below 1400 °C. Therefore, we suggest that the subducted UCC may penetrate the 660-km discontinuity into the lower mantle, when its temperature is lower than 1400 °C at around 660 km depth.

Source characterization and exposure modeling of gas-phase polycyclic aromatic hydrocarbon (PAH) concentrations in Southern California

NASA Astrophysics Data System (ADS)

Masri, Shahir; Li, Lianfa; Dang, Andy; Chung, Judith H.; Chen, Jiu-Chiuan; Fan, Zhi-Hua (Tina); Wu, Jun

2018-03-01

Airborne exposures to polycyclic aromatic hydrocarbons (PAHs) are associated with adverse health outcomes. Because personal air measurements of PAHs are labor intensive and costly, spatial PAH exposure models are useful for epidemiological studies. However, few studies provide adequate spatial coverage to reflect intra-urban variability of ambient PAHs. In this study, we collected 39-40 weekly gas-phase PAH samples in southern California twice in summer and twice in winter, 2009, in order to characterize PAH source contributions and develop spatial models that can estimate gas-phase PAH concentrations at a high resolution. A spatial mixed regression model was constructed, including such variables as roadway, traffic, land-use, vegetation index, commercial cooking facilities, meteorology, and population density. Cross validation of the model resulted in an R2 of 0.66 for summer and 0.77 for winter. Results showed higher total PAH concentrations in winter. Pyrogenic sources, such as fossil fuels and diesel exhaust, were the most dominant contributors to total PAHs. PAH sources varied by season, with a higher fossil fuel and wood burning contribution in winter. Spatial autocorrelation accounted for a substantial amount of the variance in total PAH concentrations for both winter (56%) and summer (19%). In summer, other key variables explaining the variance included meteorological factors (9%), population density (15%), and roadway length (21%). In winter, the variance was also explained by traffic density (16%). In this study, source characterization confirmed the dominance of traffic and other fossil fuel sources to total measured gas-phase PAH concentrations while a spatial exposure model identified key predictors of PAH concentrations. Gas-phase PAH source characterization and exposure estimation is of high utility to epidemiologist and policy makers interested in understanding the health impacts of gas-phase PAHs and strategies to reduce emissions.

Source Characterization and Exposure Modeling of Gas-Phase Polycyclic Aromatic Hydrocarbon (PAH) Concentrations in Southern California.

PubMed

Masri, Shahir; Li, Lianfa; Dang, Andy; Chung, Judith H; Chen, Jiu-Chiuan; Fan, Zhi-Hua Tina; Wu, Jun

2018-03-01

Airborne exposures to polycyclic aromatic hydrocarbons (PAHs) are associated with adverse health outcomes. Because personal air measurements of PAHs are labor intensive and costly, spatial PAH exposure models are useful for epidemiological studies. However, few studies provide adequate spatial coverage to reflect intra-urban variability of ambient PAHs. In this study, we collected 39-40 weekly gas-phase PAH samples in southern California twice in summer and twice in winter, 2009, in order to characterize PAH source contributions and develop spatial models that can estimate gas-phase PAH concentrations at a high resolution. A spatial mixed regression model was constructed, including such variables as roadway, traffic, land-use, vegetation index, commercial cooking facilities, meteorology, and population density. Cross validation of the model resulted in an R 2 of 0.66 for summer and 0.77 for winter. Results showed higher total PAH concentrations in winter. Pyrogenic sources, such as fossil fuels and diesel exhaust, were the most dominant contributors to total PAHs. PAH sources varied by season, with a higher fossil fuel and wood burning contribution in winter. Spatial autocorrelation accounted for a substantial amount of the variance in total PAH concentrations for both winter (56%) and summer (19%). In summer, other key variables explaining the variance included meteorological factors (9%), population density (15%), and roadway length (21%). In winter, the variance was also explained by traffic density (16%). In this study, source characterization confirmed the dominance of traffic and other fossil fuel sources to total measured gas-phase PAH concentrations while a spatial exposure model identified key predictors of PAH concentrations. Gas-phase PAH source characterization and exposure estimation is of high utility to epidemiologist and policy makers interested in understanding the health impacts of gas-phase PAHs and strategies to reduce emissions.

Phase-space networks of geometrically frustrated systems.

PubMed

Han, Yilong

2009-11-01

We illustrate a network approach to the phase-space study by using two geometrical frustration models: antiferromagnet on triangular lattice and square ice. Their highly degenerated ground states are mapped as discrete networks such that the quantitative network analysis can be applied to phase-space studies. The resulting phase spaces share some comon features and establish a class of complex networks with unique Gaussian spectral densities. Although phase-space networks are heterogeneously connected, the systems are still ergodic due to the random Poisson processes. This network approach can be generalized to phase spaces of some other complex systems.

Ultrahigh-density sub-10 nm nanowire array formation via surface-controlled phase separation.

PubMed

Tian, Yuan; Mukherjee, Pinaki; Jayaraman, Tanjore V; Xu, Zhanping; Yu, Yongsheng; Tan, Li; Sellmyer, David J; Shield, Jeffrey E

2014-08-13

We present simple, self-assembled, and robust fabrication of ultrahigh density cobalt nanowire arrays. The binary Co-Al and Co-Si systems phase-separate during physical vapor deposition, resulting in Co nanowire arrays with average diameter as small as 4.9 nm and nanowire density on the order of 10(16)/m(2). The nanowire diameters were controlled by moderating the surface diffusivity, which affected the lateral diffusion lengths. High resolution transmission electron microscopy reveals that the Co nanowires formed in the face-centered cubic structure. Elemental mapping showed that in both systems the nanowires consisted of Co with undetectable Al or Si and that the matrix consisted of Al with no distinguishable Co in the Co-Al system and a mixture of Si and Co in the Co-Si system. Magnetic measurements clearly indicate anisotropic behavior consistent with shape anisotropy. The dynamics of nanowire growth, simulated using an Ising model, is consistent with the experimental phase and geometry of the nanowires.

Characteristics of uranium carbonitride microparticles synthesized using different reaction conditions

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

Silva, Chinthaka M; Lindemer, Terrence; Voit, Stewart L

2014-11-01

Three sets of different experimental conditions by changing the cover gases during the sample preparation were tested to synthesize uranium carbonitride (UC1-xNx) microparticles. In the first two sets of experiments using (N2 to N2-4%H2 to Ar) and (Ar to N2 to Ar) environments, single phase UC1-xNx was synthesized. When reducing environments (Ar-4%H2 to N2-4%H2 to Ar-4%H2) were utilized, theoretical densities up to 97% of single phase UC1-xNx kernels were obtained. Physical and chemical characteristics such as density, phase purity, and chemical compositions of the synthesized UC1-xNx materials for the diferent experimental conditions used are provided. In-depth analysis of the microstruturesmore » of UC1-xNx has been carried out and is discussed with the objective of large batch fabrication of high density UC1-xNx kernels.« less

Many-Body Effects on the Thermodynamics of Fluids, Mixtures, and Nanoconfined Fluids.

PubMed

Desgranges, Caroline; Delhommelle, Jerome

2015-11-10

Using expanded Wang-Landau simulations, we show that taking into account the many-body interactions results in sharp changes in the grand-canonical partition functions of single-component systems, binary mixtures, and nanoconfined fluids. The many-body contribution, modeled with a 3-body Axilrod-Teller-Muto term, results in shifts toward higher chemical potentials of the phase transitions from low-density phases to high-density phases and accounts for deviations of more than, e.g., 20% of the value of the partition function for a single-component liquid. Using the statistical mechanics formalism, we analyze how this contribution has a strong impact on some properties (e.g., pressure, coexisting densities, and enthalpy) and a moderate impact on others (e.g., Gibbs or Helmholtz free energies). We also characterize the effect of the 3-body terms on adsorption isotherms and adsorption thermodynamic properties, thereby providing a full picture of the effect of the 3-body contribution on the thermodynamics of nanoconfined fluids.

Gray wolf density and its association with weights and hematology of pups from 1970 to 1988

USGS Publications Warehouse

DelGiudice, Glenn D.; Mech, L. David; Seal, U.S.

1991-01-01

We examined weights and hematologic profiles of gray wolf (Canis lupus) pups and the associated wolf density in the east-central Superior National Forest of northeastern Minnesota (USA) during 1970 to 1988. We collected weight and hematologic data from 117 pups (57 females, 60 males) during 1 September to 22 November each year. The wolf density (wolves/800 km2) trend was divided into three phases: high (72 ± 7), 1970 to 1975; medium (44 ± 2), 1976 to 1983; and low (27 ± 2), 1984 to 1988. Wolf numbers declined (P = 0.0001) 39 and 63% from 1970 to 1975 to 1976 to 1983 and from 1970 to 1975 to 1984 to 1988, respectively. Weight was similar between male and female pups and did not vary as wolf density changed. Mean hemoglobin (P = 0.04), red (P = 0.0001) and white blood cells (P = 0.002), mean corpuscular volume, mean corpuscular hemoglobin concentration and mean corpuscular hemoglobin (P = 0.0001) did differ among the multi-annual phases of changing wolf density. Weight and hematologic data also were compared to values from captive wolf pups. The high, but declining wolf density was associated with macrocytic, normochromic anemia in wolf pups, whereas the lowest density coincided with a hypochromic anemia. Although hematologic values show promise for assessing wolf pup condition and wolf population status, they must be used cautiously until data are available from other populations.

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

Du Frane, W. L.; Cervantes, O.; Ellsworth, G. F.

When we Consolidate cubic boron nitride (cBN) it typically requires either a matrix of metal bearing materials that are undesirable for certain applications, or very high pressures within the cBN phase stability field that are prohibitive to manufacturing size and cost. We present new methodology for consolidating high stiffness cBN composites within a hexagonal boron nitride (hBN) matrix (15–25 vol%) with the aid of a binder phase (0–6 vol%) at moderate pressures (0.5–1.0 GPa) and temperatures (900–1300 °C). The composites are demonstrated to be highly tailorable with a range of compositions and resulting physical/mechanical properties. Ultrasonic measurements indicate that inmore » some cases these composites have elastic mechanical properties that exceed those of the highest strength steel alloys. Moreover, two methods were identified to prevent phase transformation of the metastable cBN phase into hBN during consolidation: 1. removal of hydrocarbons, and 2. increased cBN particle size. Lithium tetraborate worked better as a binder than boron oxide, aiding consolidation without enhancing cBN to hBN phase transformation kinetics. These powder mixtures consolidated within error of their full theoretical mass densities at 1 GPa, and had only slightly lower densities at 0.5 GPa. This shows potential for consolidation of these composites into larger parts, in a variety of shapes, at even lower pressures using more conventional manufacturing methods, such as hot-pressing.« less

Modelling of transitions between L- and H-mode in JET high plasma current plasmas and application to ITER scenarios including tungsten behaviour

NASA Astrophysics Data System (ADS)

Koechl, F.; Loarte, A.; Parail, V.; Belo, P.; Brix, M.; Corrigan, G.; Harting, D.; Koskela, T.; Kukushkin, A. S.; Polevoi, A. R.; Romanelli, M.; Saibene, G.; Sartori, R.; Eich, T.; Contributors, JET

2017-08-01

The dynamics for the transition from L-mode to a stationary high Q DT H-mode regime in ITER is expected to be qualitatively different to present experiments. Differences may be caused by a low fuelling efficiency of recycling neutrals, that influence the post transition plasma density evolution on the one hand. On the other hand, the effect of the plasma density evolution itself both on the alpha heating power and the edge power flow required to sustain the H-mode confinement itself needs to be considered. This paper presents results of modelling studies of the transition to stationary high Q DT H-mode regime in ITER with the JINTRAC suite of codes, which include optimisation of the plasma density evolution to ensure a robust achievement of high Q DT regimes in ITER on the one hand and the avoidance of tungsten accumulation in this transient phase on the other hand. As a first step, the JINTRAC integrated models have been validated in fully predictive simulations (excluding core momentum transport which is prescribed) against core, pedestal and divertor plasma measurements in JET C-wall experiments for the transition from L-mode to stationary H-mode in partially ITER relevant conditions (highest achievable current and power, H 98,y ~ 1.0, low collisionality, comparable evolution in P net/P L-H, but different ρ *, T i/T e, Mach number and plasma composition compared to ITER expectations). The selection of transport models (core: NCLASS  +  Bohm/gyroBohm in L-mode/GLF23 in H-mode) was determined by a trade-off between model complexity and efficiency. Good agreement between code predictions and measured plasma parameters is obtained if anomalous heat and particle transport in the edge transport barrier are assumed to be reduced at different rates with increasing edge power flow normalised to the H-mode threshold; in particular the increase in edge plasma density is dominated by this edge transport reduction as the calculated neutral influx across the separatrix remains unchanged (or even slightly decreases) following the H-mode transition. JINTRAC modelling of H-mode transitions for the ITER 15 MA / 5.3 T high Q DT scenarios with the same modelling assumptions as those being derived from JET experiments has been carried out. The modelling finds that it is possible to access high Q DT conditions robustly for additional heating power levels of P AUX  ⩾  53 MW by optimising core and edge plasma fuelling in the transition from L-mode to high Q DT H-mode. An initial period of low plasma density, in which the plasma accesses the H-mode regime and the alpha heating power increases, needs to be considered after the start of the additional heating, which is then followed by a slow density ramp. Both the duration of the low density phase and the density ramp-rate depend on boundary and operational conditions and can be optimised to minimise the resistive flux consumption in this transition phase. The modelling also shows that fuelling schemes optimised for a robust access to high Q DT H-mode in ITER are also optimum for the prevention of the contamination of the core plasma by tungsten during this phase.

First principles study of structural, electronic and optical properties of polymorphic forms of Rb 2Te

NASA Astrophysics Data System (ADS)

Alay-e-Abbas, S. M.; Shaukat, A.

2011-05-01

First-principles density functional theory calculations have been performed for structural, electronic and optical properties of three polymorphic forms of rubidium telluride. Our calculations show that the sequence of pressure induced phase transitions for Rb 2Te is Fm3¯m → Pnma → P6 3/mmc which is governed by the coordination numbers of the anions. From our calculated low transition pressure value for the Fm3¯m phase to the Pnma phase transition of Rb 2Te, the experimentally observed meta-stability of Fm3¯m phase at ambient conditions seems reasonable. The electronic band structure has been calculated for all the three phases and the change in the energy band gap is discussed for the transitioning phases. The energy band gaps obtained for the three phases of Rb 2Te decrease on going from the meta-stable phase to the high-pressure phases. Total and partial density of states for the polymorphs of Rb 2Te has been computed to elucidate the contribution of various atomic states on the electronic band structure. Furthermore, optical properties for all the polymorphic forms have been presented in form of the complex dielectric function.

High-mass twins & resolution of the reconfinement, masquerade and hyperon puzzles of compact star interiors

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

Blaschke, David; Instytut Fizyki Teoretycznej, Uniwersytet Wroclawski, 50-204 Wroclaw; Alvarez-Castillo, David E.

2016-01-22

We aim at contributing to the resolution of three of the fundamental puzzles related to the still unsolved problem of the structure of the dense core of compact stars (CS): (i) the hyperon puzzle: how to reconcile pulsar masses of 2 M{sub ⊙} with the hyperon softening of the equation of state (EoS); (ii) the masquerade problem: modern EoS for cold, high density hadronic and quark matter are almost identical; and (iii) the reconfinement puzzle: what to do when after a deconfinement transition the hadronic EoS becomes favorable again? We show that taking into account the compositeness of baryons (bymore » excluded volume and/or quark Pauli blocking) on the hadronic side and confining and stiffening effects on the quark matter side results in an early phase transition to quark matter with sufficient stiffening at high densities which removes all three present-day puzzles of CS interiors. Moreover, in this new class of EoS for hybrid CS falls the interesting case of a strong first order phase transition which results in the observable high mass twin star phenomenon, an astrophysical observation of a critical endpoint in the QCD phase diagram.« less

Phase diagram and universality of the Lennard-Jones gas-liquid system.

PubMed

Watanabe, Hiroshi; Ito, Nobuyasu; Hu, Chin-Kun

2012-05-28

The gas-liquid phase transition of the three-dimensional Lennard-Jones particles system is studied by molecular dynamics simulations. The gas and liquid densities in the coexisting state are determined with high accuracy. The critical point is determined by the block density analysis of the Binder parameter with the aid of the law of rectilinear diameter. From the critical behavior of the gas-liquid coexisting density, the critical exponent of the order parameter is estimated to be β = 0.3285(7). Surface tension is estimated from interface broadening behavior due to capillary waves. From the critical behavior of the surface tension, the critical exponent of the correlation length is estimated to be ν = 0.63(4). The obtained values of β and ν are consistent with those of the Ising universality class.

Crystal structure of simple metals at high pressures

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

Degtyareva, Olga

2010-10-22

The effects of pressure on the crystal structure of simple (or sp-) elements are analysed in terms of changes in coordination number, packing density, and interatomic distances, and general rules are established. In the polyvalent elements from groups 14-17, the covalently bonded structures tend to transform to metallic phases with a gradual increase in coordination number and packing density, a behaviour normally expected under pressure. Group 1 and 2 metallic elements, however, show a reverse trend towards structures with low packing density due to intricate changes in their electronic structure. Complex crystal structures such as host-guest and incommensurately modulated structuresmore » found in these elements are given special attention in this review in an attempt to determine their role in the observed phase-transition sequences.« less

THE KCAL VERA 22 GHz CALIBRATOR SURVEY

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

Petrov, L.; Honma, M.; Shibata, S. M., E-mail: Leonid.Petrov@lpetrov.net

2012-02-15

We observed a sample of 1536 sources with correlated flux densities brighter than 200 mJy at 8 GHz with the very long baseline interferometry (VLBI) array VLBI Exploration of Radio Astrometry at 22 GHz. One half of the target sources has been detected. The detection limit was around 200 mJy. We derived the correlated flux densities of 877 detected sources in three ranges of projected baseline lengths. The objective of these observations was to determine the suitability of given sources as phase calibrators for dual-beam and phase-referencing observations at high frequencies. Preliminary results indicate that the number of compact extragalacticmore » sources at 22 GHz brighter than a given correlated flux density level is two times less than that at 8 GHz.« less

Diffraction, microstructure and thermal stability analysis in a double phase nanocrystalline Al20Mg20Ni20Cr20Ti20 high entropy alloy

NASA Astrophysics Data System (ADS)

Rameshbabu, A. M.; Parameswaran, P.; Vijayan, V.; Panneer, R.

2017-12-01

An effort has been made to develop a new composition of AlMgNiCrTi high entropy alloy (HEA) with a distinct properties includes squat density, intense strength and hardness, superior corrosion resistance, better oxidation resistance, high temperature resistance, fatigue load and crack resistance to congregate the necessity of aircraft applications. The equivalent atomic percentage for the above defined composition is established using analytical correlation for molar and atom renovation by trial and error method. The alloy is synthesized by powder metallurgy technique through mechanical alloying. Succeeding to mechanical alloying it is elucidated that the metal powder is primarily composed of single BCC solid solution with crystallite magnitude <10 nm. It is also observed that the alloy is thermally stable at prominent temperature about 800°C as it is retained its nanostructure which was revealed using differential scanning caloriemetry (DSC). This alloy powder was consolidated and sintered using spark plasma sintering at 800°C with 50 Mpa pressure to a density of 98.83%. Subsequent to sintering, Titanium carbide FCC phase evolved along with the BCC phase. The alloying behavior and phase transformation were studied using X-ray diffraction (XRD) and scanning electron microscope (SEM). The homogeneity of the composition is confirmed by energy dispersive spectroscopy (EDS). The hardness of the alloy is found to be 710±20 HV. The evolutions of the phases and hardness imply that this alloy is apposite for both high strength and high temperature applications.

High-density carrier-accumulated and electrically stable oxide thin-film transistors from ion-gel gate dielectric

PubMed Central

Fujii, Mami N.; Ishikawa, Yasuaki; Miwa, Kazumoto; Okada, Hiromi; Uraoka, Yukiharu; Ono, Shimpei

2015-01-01

The use of indium–gallium–zinc oxide (IGZO) has paved the way for high-resolution uniform displays or integrated circuits with transparent and flexible devices. However, achieving highly reliable devices that use IGZO for low-temperature processes remains a technological challenge. We propose the use of IGZO thin-film transistors (TFTs) with an ionic-liquid gate dielectric in order to achieve high-density carrier-accumulated IGZO TFTs with high reliability, and we discuss a distinctive mechanism for the degradation of this organic–inorganic hybrid device under long-term electrical stress. Our results demonstrated that an ionic liquid or gel gate dielectric provides highly reliable and low-voltage operation with IGZO TFTs. Furthermore, high-density carrier accumulation helps improve the TFT characteristics and reliability, and it is highly relevant to the electronic phase control of oxide materials and the degradation mechanism for organic–inorganic hybrid devices. PMID:26677773

High-density carrier-accumulated and electrically stable oxide thin-film transistors from ion-gel gate dielectric.

PubMed

Fujii, Mami N; Ishikawa, Yasuaki; Miwa, Kazumoto; Okada, Hiromi; Uraoka, Yukiharu; Ono, Shimpei

2015-12-18

The use of indium-gallium-zinc oxide (IGZO) has paved the way for high-resolution uniform displays or integrated circuits with transparent and flexible devices. However, achieving highly reliable devices that use IGZO for low-temperature processes remains a technological challenge. We propose the use of IGZO thin-film transistors (TFTs) with an ionic-liquid gate dielectric in order to achieve high-density carrier-accumulated IGZO TFTs with high reliability, and we discuss a distinctive mechanism for the degradation of this organic-inorganic hybrid device under long-term electrical stress. Our results demonstrated that an ionic liquid or gel gate dielectric provides highly reliable and low-voltage operation with IGZO TFTs. Furthermore, high-density carrier accumulation helps improve the TFT characteristics and reliability, and it is highly relevant to the electronic phase control of oxide materials and the degradation mechanism for organic-inorganic hybrid devices.

Pressure-induced transformations in computer simulations of glassy water.

PubMed

Chiu, Janet; Starr, Francis W; Giovambattista, Nicolas

2013-11-14

Glassy water occurs in at least two broad categories: low-density amorphous (LDA) and high-density amorphous (HDA) solid water. We perform out-of-equilibrium molecular dynamics simulations to study the transformations of glassy water using the ST2 model. Specifically, we study the known (i) compression-induced LDA-to-HDA, (ii) decompression-induced HDA-to-LDA, and (iii) compression-induced hexagonal ice-to-HDA transformations. We study each transformation for a broad range of compression/decompression temperatures, enabling us to construct a "P-T phase diagram" for glassy water. The resulting phase diagram shows the same qualitative features reported from experiments. While many simulations have probed the liquid-state phase behavior, comparatively little work has examined the transitions of glassy water. We examine how the glass transformations relate to the (first-order) liquid-liquid phase transition previously reported for this model. Specifically, our results support the hypothesis that the liquid-liquid spinodal lines, between a low-density and high-density liquid, are extensions of the LDA-HDA transformation lines in the limit of slow compression. Extending decompression runs to negative pressures, we locate the sublimation lines for both LDA and hyperquenched glassy water (HGW), and find that HGW is relatively more stable to the vapor. Additionally, we observe spontaneous crystallization of HDA at high pressure to ice VII. Experiments have also seen crystallization of HDA, but to ice XII. Finally, we contrast the structure of LDA and HDA for the ST2 model with experiments. We find that while the radial distribution functions (RDFs) of LDA are similar to those observed in experiments, considerable differences exist between the HDA RDFs of ST2 water and experiment. The differences in HDA structure, as well as the formation of ice VII (a tetrahedral crystal), are a consequence of ST2 overemphasizing the tetrahedral character of water.

Pressure-induced transformations in computer simulations of glassy water

NASA Astrophysics Data System (ADS)

Chiu, Janet; Starr, Francis W.; Giovambattista, Nicolas

2013-11-01

Glassy water occurs in at least two broad categories: low-density amorphous (LDA) and high-density amorphous (HDA) solid water. We perform out-of-equilibrium molecular dynamics simulations to study the transformations of glassy water using the ST2 model. Specifically, we study the known (i) compression-induced LDA-to-HDA, (ii) decompression-induced HDA-to-LDA, and (iii) compression-induced hexagonal ice-to-HDA transformations. We study each transformation for a broad range of compression/decompression temperatures, enabling us to construct a "P-T phase diagram" for glassy water. The resulting phase diagram shows the same qualitative features reported from experiments. While many simulations have probed the liquid-state phase behavior, comparatively little work has examined the transitions of glassy water. We examine how the glass transformations relate to the (first-order) liquid-liquid phase transition previously reported for this model. Specifically, our results support the hypothesis that the liquid-liquid spinodal lines, between a low-density and high-density liquid, are extensions of the LDA-HDA transformation lines in the limit of slow compression. Extending decompression runs to negative pressures, we locate the sublimation lines for both LDA and hyperquenched glassy water (HGW), and find that HGW is relatively more stable to the vapor. Additionally, we observe spontaneous crystallization of HDA at high pressure to ice VII. Experiments have also seen crystallization of HDA, but to ice XII. Finally, we contrast the structure of LDA and HDA for the ST2 model with experiments. We find that while the radial distribution functions (RDFs) of LDA are similar to those observed in experiments, considerable differences exist between the HDA RDFs of ST2 water and experiment. The differences in HDA structure, as well as the formation of ice VII (a tetrahedral crystal), are a consequence of ST2 overemphasizing the tetrahedral character of water.

Strides made in understanding space weather at Earth

NASA Astrophysics Data System (ADS)

Buonsanto, M. J.; Fuller-Rowell, T. J.

Disturbances on the Sun can produce dramatic effects in the space environment surrounding the Earth. Energetic particle effects become more intense and pose a hazard to astronauts and damage spacecraft electronics; satellite lifetimes are shortened by increased atmospheric drag, and communications and navigation are disrupted by the changing plasma environment.“Space weather” has become the modern idiom for these effects, and periods of high activity are called geomagnetic storms. During a storm the ionosphere can be severely altered. A typical episode may reveal either a large decrease (negative phase) or increase (positive phase) in the normal daily peak ion density (NmF2) or total electron content (TEC). These changes in ion density are sometimes called ionospheric storms, and often persist for more than a day after a period of high geomagnetic activity.

Method for removing atomic-model bias in macromolecular crystallography

DOEpatents

Terwilliger, Thomas C [Santa Fe, NM

2006-08-01

Structure factor bias in an electron density map for an unknown crystallographic structure is minimized by using information in a first electron density map to elicit expected structure factor information. Observed structure factor amplitudes are combined with a starting set of crystallographic phases to form a first set of structure factors. A first electron density map is then derived and features of the first electron density map are identified to obtain expected distributions of electron density. Crystallographic phase probability distributions are established for possible crystallographic phases of reflection k, and the process is repeated as k is indexed through all of the plurality of reflections. An updated electron density map is derived from the crystallographic phase probability distributions for each one of the reflections. The entire process is then iterated to obtain a final set of crystallographic phases with minimum bias from known electron density maps.

Liquid-liquid transition in ST2 water

NASA Astrophysics Data System (ADS)

Liu, Yang; Palmer, Jeremy C.; Panagiotopoulos, Athanassios Z.; Debenedetti, Pablo G.

2012-12-01

We use the weighted histogram analysis method [S. Kumar, D. Bouzida, R. H. Swendsen, P. A. Kollman, and J. M. Rosenberg, J. Comput. Chem. 13, 1011 (1992), 10.1002/jcc.540130812] to calculate the free energy surface of the ST2 model of water as a function of density and bond-orientational order. We perform our calculations at deeply supercooled conditions (T = 228.6 K, P = 2.2 kbar; T = 235 K, P = 2.2 kbar) and focus our attention on the region of bond-orientational order that is relevant to disordered phases. We find a first-order transition between a low-density liquid (LDL, ρ ≈ 0.9 g/cc) and a high-density liquid (HDL, ρ ≈ 1.15 g/cc), confirming our earlier sampling of the free energy surface of this model as a function of density [Y. Liu, A. Z. Panagiotopoulos, and P. G. Debenedetti, J. Chem. Phys. 131, 104508 (2009), 10.1063/1.3229892]. We demonstrate the disappearance of the LDL basin at high pressure and of the HDL basin at low pressure, in agreement with independent simulations of the system's equation of state. Consistency between directly computed and reweighted free energies, as well as between free energy surfaces computed using different thermodynamic starting conditions, confirms proper equilibrium sampling. Diffusion and structural relaxation calculations demonstrate that equilibration of the LDL phase, which exhibits slow dynamics, is attained in the course of the simulations. Repeated flipping between the LDL and HDL phases in the course of long molecular dynamics runs provides further evidence of a phase transition. We use the Ewald summation with vacuum boundary conditions to calculate long-ranged Coulombic interactions and show that conducting boundary conditions lead to unphysical behavior at low temperatures.

Comparative analysis of growth-phase-dependent gene expression in virulent and avirulent Streptococcus pneumoniae using a high-density DNA microarray.

PubMed

Ko, Kwan Soo; Park, Sulhee; Oh, Won Sup; Suh, Ji-Yoeun; Oh, Taejeong; Ahn, Sungwhan; Chun, Jongsik; Song, Jae-Hoon

2006-02-28

The global pattern of growth-dependent gene expres-sion in Streptococcus pneumoniae strains was evalu-ated using a high-density DNA microarray. Total RNAs obtained from an avirulent S. pneumoniae strain R6 and a virulent strain AMC96-6 were used to compare the expression patterns at seven time points (2.5, 3.5, 4.5, 5.5, 6.0, 6.5, and 8.0 h). The expression profile of strain R6 changed between log and station-ary growth (the Log-Stat switch). There were clear differences between the growth-dependent gene ex-pression profiles of the virulent and avirulent pneumo-coccal strains in 367 of 1,112 genes. Transcripts of genes associated with bacterial competence and capsular polysaccharide formation, as well as clpP and cbpA, were higher in the virulent strain. Our data suggest that late log or early stationary phase may be the most virulent phase of S. pneumoniae.

Computational Evaluation of Latent Heat Energy Storage Using a High Temperature Phase Change Material

DTIC Science & Technology

2012-05-01

thermal energy storage system using molten silicon as a phase change material. A cylindrical receiver, absorber, converter system was evaluated using...temperature operation. This work computationally evaluates a thermal energy storage system using molten silicon as a phase change material. A cylindrical... salts ) offering a low power density and a low thermal conductivity, leading to a limited rate of charging and discharging (4). A focus on

Basic Studies on High Pressure Air Plasmas

DTIC Science & Technology

2006-08-30

which must be added a 1.5 month salary to A. Bugayev for assistance in laser and optic techniques. 2 Part II Technical report Plasma-induced phase shift...two-wavelength heterodyne interferometry applied to atmospheric pressure air plasma 11.1 .A. Plasma-induced phase shift - Electron density...a driver, since the error on the frequency leads to an error on the phase shift. (c) Optical elements Mirrors Protected mirrors must be used to stand

Computer Program for Vibration Prediction of Fighter Aircraft Equipments

DTIC Science & Technology

1977-11-01

scribing a useful variety of flight vibration phases . Notice that identical variations can be reflected into the high frequency rolloff curve (equation 13...flight attitudes ranging from straight and level states to a variety of significant flight maneuvers and phases . Pro- gram outputs, digital and...R (f) adjusted value of R(f) due to c (g 2/Hz) SBT (f) special function for the buffet turn flight phase PBT (f) pressure spectral density speqtrum

Riemannian geometry of thermodynamics and systems with repulsive power-law interactions.

PubMed

Ruppeiner, George

2005-07-01

A Riemannian geometric theory of thermodynamics based on the postulate that the curvature scalar R is proportional to the inverse free energy density is used to investigate three-dimensional fluid systems of identical classical point particles interacting with each other via a power-law potential energy gamma r(-alpha) . Such systems are useful in modeling melting transitions. The limit alpha-->infinity corresponds to the hard sphere gas. A thermodynamic limit exists only for short-range (alpha>3) and repulsive (gamma>0) interactions. The geometric theory solutions for given alpha>3 , gamma>0 , and any constant temperature T have the following properties: (1) the thermodynamics follows from a single function b (rho T(-3/alpha) ) , where rho is the density; (2) all solutions are equivalent up to a single scaling constant for rho T(-3/alpha) , related to gamma via the virial theorem; (3) at low density, solutions correspond to the ideal gas; (4) at high density there are solutions with pressure and energy depending on density as expected from solid state physics, though not with a Dulong-Petit heat capacity limit; (5) for 33.7913 a phase transition is required to go between these regimes; (7) for any alpha>3 we may include a first-order phase transition, which is expected from computer simulations; and (8) if alpha-->infinity, the density approaches a finite value as the pressure increases to infinity, with the pressure diverging logarithmically in the density difference.

Computational Design of Non-natural Sugar Alcohols to Increase Thermal Storage Density: Beyond Existing Organic Phase Change Materials.

PubMed

Inagaki, Taichi; Ishida, Toyokazu

2016-09-14

Thermal storage, a technology that enables us to control thermal energy, makes it possible to reuse a huge amount of waste heat, and materials with the ability to treat larger thermal energy are in high demand for energy-saving societies. Sugar alcohols are now one promising candidate for phase change materials (PCMs) because of their large thermal storage density. In this study, we computationally design experimentally unknown non-natural sugar alcohols and predict their thermal storage density as a basic step toward the development of new high performance PCMs. The non-natural sugar alcohol molecules are constructed in silico in accordance with the previously suggested molecular design guidelines: linear elongation of a carbon backbone, separated distribution of OH groups, and even numbers of carbon atoms. Their crystal structures are then predicted using the random search method and first-principles calculations. Our molecular simulation results clearly demonstrate that the non-natural sugar alcohols have potential ability to have thermal storage density up to ∼450-500 kJ/kg, which is significantly larger than the maximum thermal storage density of the present known organic PCMs (∼350 kJ/kg). This computational study suggests that, even in the case of H-bonded molecular crystals where the electrostatic energy contributes mainly to thermal storage density, the molecular distortion and van der Waals energies are also important factors to increase thermal storage density. In addition, the comparison between the three eight-carbon non-natural sugar alcohol isomers indicates that the selection of preferable isomers is also essential for large thermal storage density.

High magnetic field magnetoresistance anomalies in the charge density wave state of the quasi-two dimensional bronze KMo6O{17}

NASA Astrophysics Data System (ADS)

Guyot, H.; Dumas, J.; Marcus, J.; Schlenker, C.; Vignolles, D.

2005-12-01

We report high magnetic field magnetoresistance measurements performed in pulsed fields up to 55 T on the quasi-two dimensional charge density wave conductor KMo{6}O{17}. Magnetoresistance curves show several anomalies below 28 T. First order transitions to smaller gap states take place at low temperature above 30 T. A phase diagram T(B) has been obtained. The angular dependence of the anomalies is reported.

High Density Lidar and Orthophotography in UXO Wide Area Assessment, Phase 2. Former Camp Beale Demonstration Site. Addendum, Revision 2

DTIC Science & Technology

2008-01-01

the delivery tiles . For the Former Camp Beale site, orthophotos were created in blocks of 2.675 square kilometers, in order to keep file sizes...3-19 3.7.12 Data Density Effects - Orthophotos ....................................................... 3-20 3.7.13 Data... Orthophoto Positional Accuracy ........................................... 3-29 4.0 PERFORMANCE ASSESSMENT

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

Akkelin, S.V.; Sinyukov, Yu.M.

A method allowing analysis of the overpopulation of phase space in heavy ion collisions in a model-independent way is proposed within the hydrodynamic approach. It makes it possible to extract a chemical potential of thermal pions at freeze-out, irrespective of the form of freeze-out (isothermal) hypersurface in Minkowski space and transverse flows on it. The contributions of resonance (with masses up to 2 GeV) decays to spectra, interferometry volumes, and phase-space densities are calculated and discussed in detail. The estimates of average phase-space densities and chemical potentials of thermal pions are obtained for SPS and RHIC energies. They demonstrate thatmore » multibosonic phenomena at those energies might be considered as a correction factor rather than as a significant physical effect. The analysis of the evolution of the pion average phase-space density in chemically frozen hadron systems shows that it is almost constant or slightly increases with time while the particle density and phase-space density at each space point decreases rapidly during the system's expansion. We found that, unlike the particle density, the average phase-space density has no direct link to the freeze-out criterion and final thermodynamic parameters, being connected rather to the initial phase-space density of hadronic matter formed in relativistic nucleus-nucleus collisions.« less

Method for producing metal oxide aerogels having densities less than 0. 02 g/cc

DOEpatents

Tillotson, T.M.; Poco, J.F.; Hrubesh, L.W.; Thomas, I.M.

1994-01-04

A two-step method is described for making transparent aerogels which have a density of less than 0.003 g/cm[sup 3] to those with a density of more than 0.8 g/cm[sup 3], by a sol/gel process and supercritical extraction. Condensed metal oxide intermediate made with purified reagents can be diluted to produce stable aerogels with a density of less than 0.02 g/cm[sup 3]. High temperature, direct supercritical extraction of the liquid phase of the gel produces hydrophobic aerogels which are stable at atmospheric moisture conditions. Monolithic, homogeneous silica aerogels with a density of less than 0.02 to higher than 0.8 g/cm[sup 3], with high thermal insulation capacity, improved mechanical strength and good optical transparency, are described. 7 figures.

Vapor-phase polymerization of poly(3, 4-ethylenedioxythiophene) nanofibers on carbon cloth as electrodes for flexible supercapacitors.

PubMed

Zhao, Xin; Dong, Mengyang; Zhang, Junxian; Li, Yingzhi; Zhang, Qinghua

2016-09-23

In this study, an evaporative vapor-phase polymerization approach was employed to fabricate vertically aligned poly(3, 4-ethylenedioxythiophene) (PEDOT) nanofibers on the surface of carbon cloth (CC). Optimized reaction conditions can obtain well distributed and uniform layers of high-aspect-ratio PEDOT nanofibers on CC. The hierarchical PEDOT/CC structure as a freestanding electrode exhibits good electrochemical properties. As a flexible symmetric supercapacitor, the PEDOT/CC hybrid electrode displays a specific areal capacitance of 201.4 mF cm(-2) at 1 mA cm(-2), good flexibility with a higher value (204.6 mF cm(-2)) in the bending state, and a good cycling stability of 92.4% after 1000 cycles. Moreover, the device shows a maximum energy density of 4.0 Wh kg(-1) (with a power density of 3.2 kW kg(-1)) and a maximum power density of 4.2 kW kg(-1) (with an energy density of 3.1 Wh kg(-1)). The results demonstrate that PEDOT may be a promising material for storage devices through a simple and efficient vapor-phase polymerization process with precisely controlled reaction conditions.

Ising tricriticality in the extended Hubbard model with bond dimerization

NASA Astrophysics Data System (ADS)

Fehske, Holger; Ejima, Satoshi; Lange, Florian; Essler, Fabian H. L.

We explore the quantum phase transition between Peierls and charge-density-wave insulating states in the one-dimensional, half-filled, extended Hubbard model with explicit bond dimerization. We show that the critical line of the continuous Ising transition terminates at a tricritical point, belonging to the universality class of the tricritical Ising model with central charge c=7/10. Above this point, the quantum phase transition becomes first order. Employing a numerical matrix-product-state based (infinite) density-matrix renormalization group method we determine the ground-state phase diagram, the spin and two-particle charge excitations gaps, and the entanglement properties of the model with high precision. Performing a bosonization analysis we can derive a field description of the transition region in terms of a triple sine-Gordon model. This allows us to derive field theory predictions for the power-law (exponential) decay of the density-density (spin-spin) and bond-order-wave correlation functions, which are found to be in excellent agreement with our numerical results. This work was supported by Deutsche Forschungsgemeinschaft (Germany), SFB 652, project B5, and by the EPSRC under Grant No. EP/N01930X/1 (FHLE).

Vapor-phase polymerization of poly(3, 4-ethylenedioxythiophene) nanofibers on carbon cloth as electrodes for flexible supercapacitors

NASA Astrophysics Data System (ADS)

Zhao, Xin; Dong, Mengyang; Zhang, Junxian; Li, Yingzhi; Zhang, Qinghua

2016-09-01

In this study, an evaporative vapor-phase polymerization approach was employed to fabricate vertically aligned poly(3, 4-ethylenedioxythiophene) (PEDOT) nanofibers on the surface of carbon cloth (CC). Optimized reaction conditions can obtain well distributed and uniform layers of high-aspect-ratio PEDOT nanofibers on CC. The hierarchical PEDOT/CC structure as a freestanding electrode exhibits good electrochemical properties. As a flexible symmetric supercapacitor, the PEDOT/CC hybrid electrode displays a specific areal capacitance of 201.4 mF cm-2 at 1 mA cm-2, good flexibility with a higher value (204.6 mF cm-2) in the bending state, and a good cycling stability of 92.4% after 1000 cycles. Moreover, the device shows a maximum energy density of 4.0 Wh kg-1 (with a power density of 3.2 kW kg-1) and a maximum power density of 4.2 kW kg-1 (with an energy density of 3.1 Wh kg-1). The results demonstrate that PEDOT may be a promising material for storage devices through a simple and efficient vapor-phase polymerization process with precisely controlled reaction conditions.

Calibration of phase contrast imaging on HL-2A Tokamak

NASA Astrophysics Data System (ADS)

Yu, Y.; Gong, S. B.; Xu, M.; Xiao, C. J.; Jiang, W.; Zhong, W. L.; Shi, Z. B.; Wang, H. J.; Wu, Y. F.; Yuan, B. D.; Lan, T.; Ye, M. Y.; Duan, X. R.; HL-2A Team

2017-10-01

Phase contrast imaging (PCI) has recently been developed on HL-2A tokamak. In this article we present the calibration of this diagnostic. This system is to diagnose chord integral density fluctuations by measuring the phase shift of a CO2 laser beam with a wavelength of 10.6 μm when the laser beam passes through plasma. Sound waves are used to calibrate PCI diagnostic. The signal series in different PCI channels show a pronounced modulation of incident laser beam by the sound wave. Frequency-wavenumber spectrum is achieved. Calibrations by sound waves with different frequencies exhibit a maximal wavenumber response of 12 cm-1. The conversion relationship between the chord integral plasma density fluctuation and the signal intensity is 2.3 × 1013 m-2/mV, indicating a high sensitivity.

A low-cost hierarchical nanostructured beta-titanium alloy with high strength

DOE PAGES

Devaraj, Arun; Joshi, Vineet V.; Srivastava, Ankit; ...

2016-04-01

Lightweighting of automobiles by use of novel low-cost, high strength-to-weight ratio structural materials can reduce the consumption of fossil fuels and in turn CO 2 emission. Working towards this goal we achieved high strength in a low cost β-titanium alloy, Ti-1Al-8V-5Fe (Ti185), by hierarchical nanostructure consisting of homogenous distribution of micron-scale and nanoscale α-phase precipitates within the β-phase matrix. The sequence of phase transformation leading to this hierarchical nanostructure is explored using electron microscopy and atom probe tomography. Our results suggest that the high number density of nanoscale α-phase precipitates in the β-phase matrix is due to ω assisted nucleationmore » of α resulting in high tensile strength, greater than any current commercial titanium alloy. Furthermore hierarchical nanostructured Ti185 serves as an excellent candidate for replacing costlier titanium alloys and other structural alloys for cost-effective lightweighting applications.« less

A low-cost hierarchical nanostructured beta-titanium alloy with high strength

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

Devaraj, Arun; Joshi, Vineet V.; Srivastava, Ankit

Lightweighting of automobiles by use of novel low-cost, high strength-to-weight ratio structural materials can reduce the consumption of fossil fuels and in turn CO 2 emission. Working towards this goal we achieved high strength in a low cost β-titanium alloy, Ti-1Al-8V-5Fe (Ti185), by hierarchical nanostructure consisting of homogenous distribution of micron-scale and nanoscale α-phase precipitates within the β-phase matrix. The sequence of phase transformation leading to this hierarchical nanostructure is explored using electron microscopy and atom probe tomography. Our results suggest that the high number density of nanoscale α-phase precipitates in the β-phase matrix is due to ω assisted nucleationmore » of α resulting in high tensile strength, greater than any current commercial titanium alloy. Furthermore hierarchical nanostructured Ti185 serves as an excellent candidate for replacing costlier titanium alloys and other structural alloys for cost-effective lightweighting applications.« less

Ambient mass density effects on the International Space Station (ISS) microgravity experiments

NASA Technical Reports Server (NTRS)

Smith, O. E.; Adelfang, S. I.; Smith, R. E.

1996-01-01

The Marshall engineering thermosphere model was specified by NASA to be used in the design, development and testing phases of the International Space Station (ISS). The mass density is the atmospheric parameter which most affects the ISS. Under simplifying assumptions, the critical ambient neutral density required to produce one micro-g on the ISS is estimated using an atmospheric drag acceleration equation. Examples are presented for the critical density versus altitude, and for the critical density that is exceeded at least once a month and once per orbit during periods of low and high solar activity. An analysis of the ISS orbital decay is presented.

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

Devaraj, Arun; Jana, Saumyadeep; McInnis, Colleen A.

During eutectoid transformation of U-10Mo alloy, uniform metastable γ UMo phase is expected to transform to a mixture of α-U and γ’-U 2Mo phase. The presence of transformation products in final U-10Mo fuel, especially the α phase is considered detrimental for fuel irradiation performance, so it is critical to accurately evaluate the extent of transformation in the final U-10Mo alloy. This phase transformation can cause a volume change that induces a density change in final alloy. To understand this density and volume change, we developed a theoretical model to calculate the volume expansion and resultant density change of U-10Mo alloymore » as a function of the extent of eutectoid transformation. Based on the theoretically calculated density change for 0 to 100% transformation, we conclude that an experimental density measurement system will be challenging to employ to reliably detect and quantify the extent of transformation. Subsequently, to assess the ability of various methods to detect the transformation in U-10Mo, we annealed U-10Mo alloy samples at 500°C for various times to achieve in low, medium, and high extent of transformation. After the heat treatment at 500°C, the samples were metallographically polished and subjected to optical microscopy and x-ray diffraction (XRD) methods. Based on our assessment, optical microscopy and image processing can be used to determine the transformed area fraction, which can then be correlated with the α phase volume fraction measured by XRD analysis. XRD analysis of U-10Mo aged at 500°C detected only α phase and no γ’ was detected. To further validate the XRD results, atom probe tomography (APT) was used to understand the composition of transformed regions in U-10Mo alloys aged at 500°C for 10 hours. Based on the APT results, the lamellar transformation product was found to comprise α phase with close to 0 at% Mo and γ phase with 28–32 at% Mo, and the Mo concentration was highest at the α/γ interface.« less

Possible existence of two amorphous phases of D-mannitol related by a first-order transition

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

Zhu, Men; Yu, Lian, E-mail: lian.yu@wisc.edu; Wang, Jun-Qiang

2015-06-28

We report that the common polyalcohol D-mannitol may have two amorphous phases related by a first-order transition. Slightly above its glass transition temperature T{sub g} (284 K), the supercooled liquid (SCL) of D-mannitol transforms to a low-energy, apparently amorphous phase with stronger hydrogen bonds. The enthalpy of this so-called Phase X is approximately halfway between those of the known amorphous and crystalline phases, a position low for glass aging and high for crystal polymorphs. Similar to the SCL, Phase X is transparent with broad X-ray diffraction and Raman scattering; upon temperature cycling, it exhibits a glass-transition-like change of heat capacity.more » On fast heating, Phase X transforms back to the SCL near T{sub g} + 50 K, enabling a determination of their equilibrium temperature. The presence of D-sorbitol as a plasticizer enables observation of a first-order transition from the SCL to Phase X entirely in the liquid state (liquid-liquid transition). The transition from D-mannitol’s SCL to Phase X has intriguing similarities with the formation of the glacial phase of triphenyl phosphite (TPP) and the conversion from high-density to low-density amorphous ice, both studied intensely in the context of polyamorphism. All three processes occur near T{sub g} with substantial enthalpy decrease toward the crystalline phases; the processes in water and D-mannitol both strengthen the hydrogen bonds. In contrast to TPP, D-mannitol’s Phase X forms more rapidly and can transform back to the SCL. These features make D-mannitol a valuable new model for understanding polyamorphism.« less

Ultra-High Density Holographic Memory Module with Solid-State Architecture

NASA Technical Reports Server (NTRS)

Markov, Vladimir B.

2000-01-01

NASA's terrestrial. space, and deep-space missions require technology that allows storing. retrieving, and processing a large volume of information. Holographic memory offers high-density data storage with parallel access and high throughput. Several methods exist for data multiplexing based on the fundamental principles of volume hologram selectivity. We recently demonstrated that a spatial (amplitude-phase) encoding of the reference wave (SERW) looks promising as a way to increase the storage density. The SERW hologram offers a method other than traditional methods of selectivity, such as spatial de-correlation between recorded and reconstruction fields, In this report we present the experimental results of the SERW-hologram memory module with solid-state architecture, which is of particular interest for space operations.

Aluminum manganese oxides with mixed crystal structure: high-energy-density cathodes for rechargeable sodium batteries.

PubMed

Han, Dong-Wook; Ku, Jun-Hwan; Kim, Ryoung-Hee; Yun, Dong-Jin; Lee, Seok-Soo; Doo, Seok-Gwang

2014-07-01

We report a new discovery for enhancing the energy density of manganese oxide (Nax MnO2 ) cathode materials for sodium rechargeable batteries by incorporation of aluminum. The Al incorporation results in NaAl(0.1) Mn(0.9) O2 with a mixture of tunnel and layered crystal structures. NaAl(0.1) Mn(0.9) O2 shows a much higher initial discharge capacity and superior cycling performance compared to pristine Na(0.65) MnO2 . We ascribe this enhancement in performance to the formation of a new orthorhombic layered NaMnO2 phase merged with a small amount of tunnel Na(0.44) MnO2 phase in NaAl(0.1) Mn(0.9) O2 , and to improvements in the surface stability of the NaAl(0.1) Mn(0.9) O2 particles caused by the formation of Al-O bonds on their surfaces. Our findings regarding the phase transformation and structure stabilization induced by incorporation of aluminum, closely related to the structural analogy between orthorhombic Na(0.44) MnO2 and NaAl(0.1) Mn(0.9) O2 , suggest a strategy for achieving sodium rechargeable batteries with high energy density and stability. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Current-Driven Dynamics of Skyrmions Stabilized in MnSi Nanowires Revealed by Topological Hall Effect

NASA Astrophysics Data System (ADS)

Liang, Dong; Degrave, John; Stolt, Matthew; Tokura, Yoshinori; Jin, Song

2015-03-01

Skyrmions, novel topologically stable spin vortices, hold promise for next-generation high-density magnetic storage technologies due to their nanoscale domains and ultralow energy consumption. One-dimensional (1D) nanowires are ideal hosts for skyrmions since they not only serve as a natural platform for magnetic racetrack memory devices but also can potentially stabilize skyrmions. We use the topological Hall effect (THE) to study the phase stability and current-driven dynamics of the skyrmions in MnSi nanowires. The THE was observed in an extended magnetic field-temperature window (15 to 30 K), suggesting stabilization of skyrmion phase in nanowires compared with the bulk (27 to 29.5 K). Furthermore, we study skyrmion dynamics in this extended skyrmion phase region and found that under the high current-density of 108-109Am-2 enabled by nanowire geometry, the THE decreases with increasing current densities, which demonstrates the current-driven motion of skyrmions generating the emergent electric field. These results open up the exploration of nanowires as an attractive platform for investigating skyrmion physics in 1D systems and exploiting skyrmions in magnetic storage concepts. This work is supported by US National Science Foundation (ECCS-1231916) and JSPS Grant-in-Aid for Scientific Research No. 24224009.

Fractionation of Cl/Br during fluid phase separation in magmatic-hydrothermal fluids

NASA Astrophysics Data System (ADS)

Seo, Jung Hun; Zajacz, Zoltán

2016-06-01

Brine and vapor inclusions were synthesized to study Cl/Br fractionation during magmatic-hydrothermal fluid phase separation at 900 °C and pressures of 90, 120, and 150 MPa in Li/Na/K halide salt-H2O systems. Laser ablation ICP-MS microanalysis of high-density brine inclusions show an elevated Cl/Br ratio compared to the coexisting low-density vapor inclusions. The degree of Cl/Br fractionation between vapor and brine is significantly dependent on the identity of the alkali metal in the system: stronger vapor partitioning of Br occurs in the Li halide-H2O system compared to the systems of K and Na halide-H2O. The effect of the identity of alkali-metals in the system is stronger compared to the effect of vapor-brine density contrast. We infer that competition between alkali-halide and alkali-OH complexes in high-temperature fluids might cause the Cl/Br fractionation, consistent with the observed molar imbalances of alkali metals compared to halides in the analyzed brine inclusions. Our experiments show that the identity of alkali metals controls the degrees of Cl/Br fractionation between the separating aqueous fluid phases at 900 °C, and suggest that a significant variability in the Cl/Br ratios of magmatic fluids can arise in Li-rich systems.

Transferability of electronic structure of four energetic materials by using single crystal and high resolution X-ray diffraction experiments

NASA Astrophysics Data System (ADS)

Chen, Yu-Sheng

The electronic structures of four energetic materials, trinitrodiazapentalene (C6H3N5O6, TNDAP), beta-1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (C4H8N8O8, beta-HMX), 1,3,3-trinitroazetidine (C3H4N4O6, TNAZ), and hexahydro-1,3,5-trinitro-1,3,5-s-triazine (C3H6N6O6, RDX), have been analyzed using Hansen-Coppens multipole refinements, using high resolution X-ray diffraction data collected at low temperature, as well as from theoretical calculated structure factors from the solid state phase using density functional theory (DFT), plus B3LYP level theory, and the 6-31G* basis set. However, when comparing both the deformation density and the electrostatic potentials from the theoretical results in TNDAP and TNAZ, they disagree with the experimental results. Therefore, those results have been deposited in appendices A4 and A6, for future reference. In HMX and RDX the theoretical results are in good agreement with experimental results. The physical properties derived from the electronic structure in these four energetic materials, such as multipole populations, the values of the electron density and its Laplacian of the electron density at the bond critical points, have also been calculated using "Atoms in Molecules" (AIM) theory both from the solid state phase calculation, and the experiment, as well as directly calculated from the free molecule in the gas phase. The electron density and the magnitude of its Laplacian from the gas phase are always larger than for the solid state phase calculation and the experiment. This may be due to the packing effect. The transferability of the experimental electronic structure of the NO 2 groups from HMX to TNDAP, TNAZ and RDX are also presented here. Even though the major populated multipoles are robust (small e.s.d.'s), these are few in number, compared with other lower populated multipoles for which the populations span a larger range. Since the deformation electron density distributions are reconstructed using linear combinations of the multipoles, it is necessary to give more degrees of freedom in the refinements. Therefore, those electron density distributions which have a wider range of the multipole populations should not be fixed in the refinements. Utilizing the same coordinate system setup in the multipole refinements of the functional groups, this system can be used as a starting point for solving the charge distribution of a larger system.

The Effect of Gravity on the Combustion Synthesis of Porous Ceramics and Metal Matrix Composites

NASA Technical Reports Server (NTRS)

Moore, J. J.; Woodger, T. C.; Wolanski, T.; Yi, H. C.; Guigne, J. Y.

1997-01-01

Combustion synthesis (self propagating, high temperature synthesis-SHS) is a novel technique that is capable of producing many advanced materials. The ignition temperature (Tig) of such combustion synthesis reactions is often coincident with that of the lowest melting point reactant. The resultant liquid metal wets and spreads around the other solid reactant particles of higher melting points, thereby improving the reactant contact and kinetics, followed by formation of the required compounds. This ignition initiates a combustion propagating wave whose narrow reaction front rapidly travels through the reactants. Since this process is highly exothermic, the heat released by combustion often melts the reactant particles ahead of the combustion front and ignites the adjacent reactant layer, resulting in a self-sustaining reaction. Whenever a fluid phase (liquid or gas) is generated by the reaction system, gravity-driven phenomena can occur. Such phenomena include convective flows of fluid by conventional or unstable convection and settling of the higher density phases. A combustion process is often associated with various kinds of fluid flow. For instance, if the SHS reaction is carried out under inert or reactive gas atmospheres, or a volatile, e.g., B2O3, is deliberately introduced as a reactant, convective flows of the gas will occur due to a temperature gradient existing in the atmosphere when a combustion wave is initiated. The increased gas flow will produce a porous (or expanded) SHS product. Owing to the highly exothermic nature of many SHS reactions, liquid phase(s) can also form before, at, or after the combustion front. The huge temperature gradient at the combustion front can induce convective flows (conventional or unstable) of the liquid phase. Each of these types of convective fluid flow can change the combustion behavior of the synthesizing reaction, and, therefore, the resultant product microstructure. In addition, when two or more phases of different density are produced at or ahead of the propagating combustion front settling of the higher density phase will occur resulting in a non-uniform product microstructure and properties.

Structure/property relationships in methacrylate/dimethacrylate polymers for dental applications

NASA Astrophysics Data System (ADS)

Mehlem, Jeremy John

Since its invention Bis-GMA or one of its analogs has been the main component of the polymer portion of composites for dental restorations. The need for dilution of Bis-GMA and its analogs to optimize its properties has long been recognized. Bis-GMA is a highly viscous monomer. This high viscosity leads to early vitrification, which limits conversion during cure. This viscosity also limits filler loading. Vitrification at low conversions leads to heterogeneous systems composed of low and high cross-link density phases. The low cross-link density phases behave as defects in the system; therefore, if the amount of low cross-link density phases in the system can be reduced and a more uniform network structure can be achieved, then the mechanical properties of the resin can be improved. Since the increase in viscosity during cure causes vitrification, it is logical that a system with a low initial viscosity will delay the onset of vitrification. Reactive diluents such as triethylene glycol dimethacrylate (TEGDMA) are effective at lower levels. However, large amounts negatively affect matrix properties by increasing polymerization shrinkage and water sorption. Shrinkage has been cited as one of the main deficiencies in dental composites. The goal of this project is to improve upon standard viscosity modifying comonomers such as triethylene glycol dimethacrylate. The comonomers that were explored were phenyloxyethyl methacrylate, cyclohexyl methacrylate, and tert-butylcylcohexyl methacrylate. Multicomponent systems based on analogs of ethylene glycol dimethacrylates with different length ethyl glycol chains were also examined. The substitution of monomethacrylates for TEGDMA as a comonomer resulted in enhanced or negligible affects on the mechanical properties of Bis-MEPP based polymer systems while reducing polymerization shrinkage. 129Xenon NMR and TappingMode(TM) AFM were used to characterize the heterogeneity of dimethacrylates systems during their cure cycle as well as in their final state. Using these methods the size of the high and low cross-link density phase was examined and determined to be on the order of 50--150 nanometers. Model compounds based on phenylethyl methacrylate were formulated to determine how of nadic methyl anhydride and maleic anhydride incorporate into dimethacrylate resin systems.

Phase transitions in core-collapse supernova matter at sub-saturation densities

NASA Astrophysics Data System (ADS)

Pais, Helena; Newton, William G.; Stone, Jirina R.

2014-12-01

Phase transitions in hot, dense matter in the collapsing cores of massive stars have an important impact on the core-collapse supernova mechanism as they absorb heat, disrupt homology, and so weaken the developing shock. We perform a three-dimensional, finite temperature Skyrme-Hartree-Fock (SHF) study of inhomogeneous nuclear matter to determine the critical density and temperature for the phase transition between the pasta phase and homogeneous matter and its properties. We employ four different parametrizations of the Skyrme nuclear energy-density functional, SkM*, SLy4, NRAPR, and SQMC700, which span a range of saturation-density symmetry energy behaviors constrained by a variety of nuclear experimental probes. For each of these interactions we calculate free energy, pressure, entropy, and chemical potentials in the range of particle number densities where the nuclear pasta phases are expected to exist, 0.02-0.12 fm-3, temperatures 2-8 MeV, and a proton fraction of 0.3. We find unambiguous evidence for a first-order phase transition to uniform matter, unsoftened by the presence of the pasta phases. No conclusive signs of a first-order phase transition between the pasta phases is observed, and it is argued that the thermodynamic quantities vary continuously right up to the first-order phase transition to uniform matter. We compare our results with thermodynamic spinodals calculated using the same Skyrme parametrizations, finding that the effect of short-range Coulomb correlations and quantum shell effects included in our model leads to the pasta phases existing at densities up to 0.01 fm-3 above the spinodal boundaries, thus increasing the transition density to uniform matter by the same amount. The transition density is otherwise shown to be insensitive to the symmetry energy at saturation density within the range constrained by the concordance of a variety of experimental constraints, and can be taken to be a well determined quantity.

The prediction of a new high-pressure phase of hafnia using first-principles computations

NASA Astrophysics Data System (ADS)

Al-Khatatbeh, Y.; Tarawneh, K.; Hamad, B.

2018-02-01

Using density functional theory (DFT) calculations, we predicted a new high- pressure phase of hafnia (HfO2). We found the hexagonal phase (Ni2In-type structure; space group: P63 /mmc) to be the stable phase at ultrahigh pressures greater than ~386 GPa. Our findings are consistent with recent calculations performed on the similar dioxide ZrO2 [M. Durandurdu, J. Solid State Chem. 230, 233 (2015)] where this phase has been claimed to be the most stable at pressures greater than 380 GPa. The Birch-Murnaghan equation of state (BM- EOS) of the new phase shows that this phase is more compressible and less dense than Fe2P-type phase. Additionally, the hardness calculations using a scaling model confirmed that our newly predicted phase has a similar hardness compared to the other HfO2 phases, indicating that none of the HfO2 phases can be considered to be superhard.

Shock induced polymorphic transition in quartz, carbon, and boron nitride

NASA Technical Reports Server (NTRS)

Tan, Hua; Ahrens, Thomas J.

1990-01-01

The model proposed by Ahrens (1988) to explain the mechanism of the polymorphism in silicates is revised, and the revised model is applied to the quartz/stishovite, graphite/diamond, and graphite-boron nitride (g-BN) phase transformations. In this model, a key assumption is that transformation to a high-density amorphous or possibly liquid phase which rapidly crystallized to the high-pressure phase is triggered by the high temperatures in the shear band and upon crossing the metastable extension of a melting curve. Good agreement between the calcualted results and published data is obtained. The present theory predicts the standard entropy for cubic BN to be 0.4-0.5 J/g K.

Instability Analysis of a Low-Density Gas Jet Injected into a High-Density Gas

NASA Technical Reports Server (NTRS)

Lawson, Anthony Layiwola

2001-01-01

The objective of this study was to determine the effects of buoyancy on the absolute instability of low-density gas jets injected into high-density gas mediums. Most of the existing analyses of low-density gas jets injected into a high-density ambient have been carried out neglecting effects of gravity. In order to investigate the influence of gravity on the near-injector development of the flow, a linear temporal stability analysis and a spatio-temporal stability analysis of a low-density round jet injected into a high-density ambient gas were performed. The flow was assumed to be isothermal and locally parallel; viscous and diffusive effects were ignored. The variables were represented as the sum of the mean value and a normal-mode small disturbance. An ordinary differential equation governing the amplitude of the pressure disturbance was derived. The velocity and density profiles in the shear layer, and the Froude number (signifying the effects of gravity) were the three important parameters in this equation. Together with the boundary conditions, an eigenvalue problem was formulated. Assuming that the velocity and density profiles in the shear layer to be represented by hyperbolic tangent functions, the eigenvalue problem was solved for various values of Froude number. The temporal growth rates and the phase velocity of the disturbances were obtained. It was found that the presence of variable density within the shear layer resulted in an increase in the temporal amplification rate of the disturbances and an increase in the range of unstable frequencies, accompanied by a reduction in the phase velocities of the disturbances. Also, the temporal growth rates of the disturbances were increased as the Froude number was reduced (i.e. gravitational effects increased), indicating the destabilizing role played by gravity. The spatio-temporal stability analysis was performed to determine the nature of the absolute instability of the jet. The roles of the density ratio, Froude number, Schmidt number, and the lateral shift between the density and velocity profiles on the jet s absolute instability were determined. Comparisons of the results with previous experimental studies show good agreement when the effects of these variables are combined together. Thus, the combination of these variables determines how absolutely unstable the jet will be. Experiments were carried out to observe the qualitative differences between a round low-density gas jet injected into a high-density gas (helium jet injected into air) and a round constant density jet (air jet injected into air). Flow visualizations and velocity measurements in the near-injector region of the helium jet show more mixing and spreading of the helium jet than the air jet. The vortex structures develop and contribute to the jet spreading causing the helium jet to oscillate.

Quasar Outflows and AGN Feedback in the Extreme UV: HST/COS Observations of QSO HE0238-1904

NASA Astrophysics Data System (ADS)

Arav, Nahum; Borguet, B.; Chamberlain, C.; Edmonds, D.; Danforth, C.

2014-01-01

Spectroscopic observations of quasar outflows at rest-frame 500-1000 Angstrom have immense diagnostic power. We present analyses of such data, where absorption troughs from three important ions are measured: first, O IV and O IV* that allow us to obtain the distance of high ionization outflows from the AGN; second, Ne VIII and Mg X that are sensitive to the very high ionization phase of the outflow. Their inferred column densities, combined with those of troughs from O VI, N IV, and H I, yield two important results: 1) The outflow shows two ionization phases, where the high ionization phase carries the bulk of the material. This is similar to the situation seen in x-ray warm absorber studies. Furthermore, the low ionization phase is inferred to have a volume filling factor of 10^(-5)-10^(-6). 2) From the O IV to O IV* column density ratio, and the knowledge of the ionization parameter, we determine a distance of 3000 pc. from the outflow to the central source. Since this is a typical high ionization outflow, we can determine robust values for the mass flux and kinetic luminosity of the outflow: 40 solar masses per year and 10^45 ergs/s, respectively, where the latter is roughly equal to 1% of the bolometric luminosity. Such a large kinetic luminosity and mass flow rate measured in a typical high ionization wind suggests that quasar outflows are a major contributor to AGN feedback mechanisms.

Gate-tunable polarized phase of two-dimensional electrons at the LaAlO3/SrTiO3 interface.

PubMed

Joshua, Arjun; Ruhman, Jonathan; Pecker, Sharon; Altman, Ehud; Ilani, Shahal

2013-06-11

Controlling the coupling between localized spins and itinerant electrons can lead to exotic magnetic states. A novel system featuring local magnetic moments and extended 2D electrons is the interface between LaAlO3 and SrTiO3. The magnetism of the interface, however, was observed to be insensitive to the presence of these electrons and is believed to arise solely from extrinsic sources like oxygen vacancies and strain. Here we show the existence of unconventional electronic phases in the LaAlO3/SrTiO3 system pointing to an underlying tunable coupling between itinerant electrons and localized moments. Using anisotropic magnetoresistance and anomalous Hall effect measurements in a unique in-plane configuration, we identify two distinct phases in the space of carrier density and magnetic field. At high densities and fields, the electronic system is strongly polarized and shows a response, which is highly anisotropic along the crystalline directions. Surprisingly, below a density-dependent critical field, the polarization and anisotropy vanish whereas the resistivity sharply rises. The unprecedented vanishing of the easy axes below a critical field is in sharp contrast with other coupled magnetic systems and indicates strong coupling with the moments that depends on the symmetry of the itinerant electrons. The observed interplay between the two phases indicates the nature of magnetism at the LaAlO3/SrTiO3 interface as both having an intrinsic origin and being tunable.

Gate-tunable polarized phase of two-dimensional electrons at the LaAlO3/SrTiO3 interface

PubMed Central

Joshua, Arjun; Ruhman, Jonathan; Pecker, Sharon; Altman, Ehud; Ilani, Shahal

2013-01-01

Controlling the coupling between localized spins and itinerant electrons can lead to exotic magnetic states. A novel system featuring local magnetic moments and extended 2D electrons is the interface between LaAlO3 and SrTiO3. The magnetism of the interface, however, was observed to be insensitive to the presence of these electrons and is believed to arise solely from extrinsic sources like oxygen vacancies and strain. Here we show the existence of unconventional electronic phases in the LaAlO3/SrTiO3 system pointing to an underlying tunable coupling between itinerant electrons and localized moments. Using anisotropic magnetoresistance and anomalous Hall effect measurements in a unique in-plane configuration, we identify two distinct phases in the space of carrier density and magnetic field. At high densities and fields, the electronic system is strongly polarized and shows a response, which is highly anisotropic along the crystalline directions. Surprisingly, below a density-dependent critical field, the polarization and anisotropy vanish whereas the resistivity sharply rises. The unprecedented vanishing of the easy axes below a critical field is in sharp contrast with other coupled magnetic systems and indicates strong coupling with the moments that depends on the symmetry of the itinerant electrons. The observed interplay between the two phases indicates the nature of magnetism at the LaAlO3/SrTiO3 interface as both having an intrinsic origin and being tunable. PMID:23708121

3D cine magnetic resonance imaging of rat lung ARDS using gradient-modulated SWIFT with retrospective respiratory gating

NASA Astrophysics Data System (ADS)

Kobayashi, Naoharu; Lei, Jianxun; Utecht, Lynn; Garwood, Michael; Ingbar, David H.; Bhargava, Maneesh

2015-03-01

SWeep Imaging with Fourier Transformation (SWIFT) with gradient modulation and DC navigator retrospective gating is introduced as a 3D cine magnetic resonance imaging (MRI) method for the lung. In anesthetized normal rats, the quasi-simultaneous excitation and acquisition in SWIFT enabled extremely high sensitivity to the fast-decaying parenchymal signals (TE=~4 μs), which are invisible with conventional MRI techniques. Respiratory motion information was extracted from DC navigator signals and the SWIFT data were reconstructed to 3D cine images with 16 respiratory phases. To test this technique's capabilities, rats exposed to > 95% O2 for 60 hours for induction of acute respiratory distress syndrome (ARDS), were imaged and compared with normal rat lungs (N=7 and 5 for ARDS and normal groups, respectively). SWIFT images showed lung tissue density differences along the gravity direction. In the cine SWIFT images, a parenchymal signal drop at the inhalation phase was consistently observed for both normal and ARDS rats due to lung inflation (i.e. decrease of the proton density), but the drop was less for ARDS rats. Depending on the respiratory phase and lung region, the lungs from the ARDS rats showed 1-24% higher parenchymal signal intensities relative to the normal rat lungs, likely due to accumulated extravascular water (EVLW). Those results demonstrate that SWIFT has high enough sensitivity for detecting the lung proton density changes due to gravity, different phases of respiration and accumulation of EVLW in the rat ARDS lungs.

Unconventional field induced phases in a quantum magnet formed by free radical tetramers

NASA Astrophysics Data System (ADS)

Saúl, Andrés; Gauthier, Nicolas; Askari, Reza Moosavi; Côté, Michel; Maris, Thierry; Reber, Christian; Lannes, Anthony; Luneau, Dominique; Nicklas, Michael; Law, Joseph M.; Green, Elizabeth Lauren; Wosnitza, Jochen; Bianchi, Andrea Daniele; Feiguin, Adrian

2018-02-01

We report experimental and theoretical studies on the magnetic and thermodynamic properties of NIT-2Py, a free radical based organic magnet. From magnetization and specific-heat measurements we establish the temperature versus magnetic field phase diagram which includes two Bose-Einstein condensates (BEC) and an infrequent half-magnetization plateau. Calculations based on density functional theory demonstrate that magnetically this system can be mapped to a quasi-two-dimensional structure of weakly coupled tetramers. Density matrix renormalization group calculations show the unusual characteristics of the BECs where the spins forming the low-field condensate are different than those participating in the high-field one.

A one-step in-situ assembly strategy to construct PEG@MOG-100-Fe shape-stabilized composite phase change material with enhanced storage capacity for thermal energy storage

NASA Astrophysics Data System (ADS)

Wang, Junyong; Andriamitantsoa, Radoelizo S.; Atinafu, Dimberu G.; Gao, Hongyi; Dong, Wenjun; Wang, Ge

2018-03-01

A novel in-situ assembly strategy has been developed to synthesis polyethylene glycol (PEG)@iron-benzenetricarboxylate metal-organic gel (MOG-100-Fe) shape-stabilized composite phase change materials by regulating metal-to-ligand ratio. The PEG@MOG-100-Fe was prepared by an ingenious introduction of PEG into the traditional sol-gel prepared MOG-100-Fe. The composite exhibited high heat storage density and thermal stability. The PEG loading content reached up to 92% without any leakage above its melting point. The heat storage density reaches to 152.88

Oxygen-Rich Lithium Oxide Phases Formed at High Pressure for Potential Lithium-Air Battery Electrode.

PubMed

Yang, Wenge; Kim, Duck Young; Yang, Liuxiang; Li, Nana; Tang, Lingyun; Amine, Khalil; Mao, Ho-Kwang

2017-09-01

The lithium-air battery has great potential of achieving specific energy density comparable to that of gasoline. Several lithium oxide phases involved in the charge-discharge process greatly affect the overall performance of lithium-air batteries. One of the key issues is linked to the environmental oxygen-rich conditions during battery cycling. Here, the theoretical prediction and experimental confirmation of new stable oxygen-rich lithium oxides under high pressure conditions are reported. Three new high pressure oxide phases that form at high temperature and pressure are identified: Li 2 O 3 , LiO 2 , and LiO 4 . The LiO 2 and LiO 4 consist of a lithium layer sandwiched by an oxygen ring structure inherited from high pressure ε-O 8 phase, while Li 2 O 3 inherits the local arrangements from ambient LiO 2 and Li 2 O 2 phases. These novel lithium oxides beyond the ambient Li 2 O, Li 2 O 2 , and LiO 2 phases show great potential in improving battery design and performance in large battery applications under extreme conditions.

Pressure-induced electronic topological transitions in the charge-density-wave material In 4 Se 3

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

Zhang, Yuhang; Song, Liyan; Shao, Xuecheng

2017-08-01

High-pressure in situ angle dispersive X-ray diffraction (ADXRD) measurements were performed on the charge-density-wave (CDW) material In4Se3 up to 48.8 GPa. Pressure-induced structural changes were observed at 7.0 and 34.2 GPa, respectively. Using the CALYPSO methodology, the first high-pressure phase was solved as an exotic Pca21 structure. The compressional behaviors of the initial Pnnm and the Pca21 phases were all determined. Combined with first-principle calculations, we find that, unexpectedly, the Pnnm phase probably experiences twice electronic topological transitions (ETTs), from the initial possible CDW state to a semimetallic state at about 2.3 GPa and then back to a possible CDWmore » state at around 3.5 GPa, which was uncovered for the first time in CDW systems. In the both possible CDW states, pressure provokes a decrease of band-gap. The observation of a bulk metallic state was ascribed to structural transition to the Pca21 phase. Besides, based on electronic band structure calculations, the thermoelectric property of the Pnnm phase under compression was discussed. Our results show that pressure play a dramatic role in tuning In4Se3's structure and transport properties.« less

Irradiation performance of U-Mo monolithic fuel

DOE PAGES

Meyer, M. K.; Gan, J.; Jue, J. F.; ...

2014-04-01

High-performance research reactors require fuel that operates at high specific power to high fission density, but at relatively low temperatures. Research reactor fuels are designed for efficient heat rejection, and are composed of assemblies of thin-plates clad in aluminum alloy. The development of low-enriched fuels to replace high-enriched fuels for these reactors requires a substantially increased uranium density in the fuel to offset the decrease in enrichment. Very few fuel phases have been identified that have the required combination of very-high uranium density and stable fuel behavior at high burnup. U-Mo alloys represent the best known tradeoff in these properties.more » Testing of aluminum matrix U-Mo aluminum matrix dispersion fuel revealed a pattern of breakaway swelling behavior at intermediate burnup, related to the formation of a molybdenum stabilized high aluminum intermetallic phase that forms during irradiation. In the case of monolithic fuel, this issue was addressed by eliminating, as much as possible, the interfacial area between U-Mo and aluminum. Based on scoping irradiation test data, a fuel plate system composed of solid U-10Mo fuel meat, a zirconium diffusion barrier, and Al6061 cladding was selected for development. Developmental testing of this fuel system indicates that it meets core criteria for fuel qualification, including stable and predictable swelling behavior, mechanical integrity to high burnup, and geometric stability. In addition, the fuel exhibits robust behavior during power-cooling mismatch events under irradiation at high power.« less

IRRADIATION PERFORMANCE OF U-Mo MONOLITHIC FUEL

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

M.K. Meyer; J. Gan; J.-F. Jue

2014-04-01

High-performance research reactors require fuel that operates at high specific power to high fission density, but at relatively low temperatures. Research reactor fuels are designed for efficient heat rejection, and are composed of assemblies of thin-plates clad in aluminum alloy. The development of low-enriched fuels to replace high-enriched fuels for these reactors requires a substantially increased uranium density in the fuel to offset the decrease in enrichment. Very few fuel phases have been identified that have the required combination of very-high uranium density and stable fuel behavior at high burnup. UMo alloys represent the best known tradeoff in these properties.more » Testing of aluminum matrix U-Mo aluminum matrix dispersion fuel revealed a pattern of breakaway swelling behavior at intermediate burnup, related to the formation of a molybdenum stabilized high aluminum intermetallic phase that forms during irradiation. In the case of monolithic fuel, this issue was addressed by eliminating, as much as possible, the interfacial area between U-Mo and aluminum. Based on scoping irradiation test data, a fuel plate system composed of solid U-10Mo fuel meat, a zirconium diffusion barrier, and Al6061 cladding was selected for development. Developmental testing of this fuel system indicates that it meets core criteria for fuel qualification, including stable and predictable swelling behavior, mechanical integrity to high burnup, and geometric stability. In addition, the fuel exhibits robust behavior during power-cooling mismatch events under irradiation at high power.« less

Pressure driven topological semi metallic phase in SrTe

NASA Astrophysics Data System (ADS)

Kunduru, Lavanya; Roshan, S. C. Rakesh; Yedukondalu, N.; Sainath, M.

2018-05-01

We have investigated the structural, electronic properties and Fermi surface topology of SrTe under high pressure up to 50 GPa based on density functional theory calculations. We predict that SrTe undergoes a structural phase transition from NaCl (B1) to CsCl (B2)-type structure at 14.7 GPa which is consistent with the experimental observations as well as with previous theoretical studies. The ambient (B1) and high pressure (B2) phases are found to be indirect band gap semiconductors and upon further compression B2 phase turns into a nontrivial topological semimetal. Interestingly, we have observed that B2 phase of SrTe has band inversion at Γ and M symmetry directions which lead to formation of 3D topological nodal line semimetal at high pressure which is analogous to CaTe and Cu3PdN due to nontrivial band topology.

Effect of water phase transition on dynamic ruptures with thermal pressurization: Numerical simulations with changes in physical properties of water

NASA Astrophysics Data System (ADS)

Urata, Yumi; Kuge, Keiko; Kase, Yuko

2015-02-01

Phase transitions of pore water have never been considered in dynamic rupture simulations with thermal pressurization (TP), although they may control TP. From numerical simulations of dynamic rupture propagation including TP, in the absence of any water phase transition process, we predict that frictional heating and TP are likely to change liquid pore water into supercritical water for a strike-slip fault under depth-dependent stress. This phase transition causes changes of a few orders of magnitude in viscosity, compressibility, and thermal expansion among physical properties of water, thus affecting the diffusion of pore pressure. Accordingly, we perform numerical simulations of dynamic ruptures with TP, considering physical properties that vary with the pressure and temperature of pore water on a fault. To observe the effects of the phase transition, we assume uniform initial stress and no fault-normal variations in fluid density and viscosity. The results suggest that the varying physical properties decrease the total slip in cases with high stress at depth and small shear zone thickness. When fault-normal variations in fluid density and viscosity are included in the diffusion equation, they activate TP much earlier than the phase transition. As a consequence, the total slip becomes greater than that in the case with constant physical properties, eradicating the phase transition effect. Varying physical properties do not affect the rupture velocity, irrespective of the fault-normal variations. Thus, the phase transition of pore water has little effect on dynamic ruptures. Fault-normal variations in fluid density and viscosity may play a more significant role.

Glass and liquid phase diagram of a polyamorphic monatomic system

NASA Astrophysics Data System (ADS)

Reisman, Shaina; Giovambattista, Nicolas

2013-02-01

We perform out-of-equilibrium molecular dynamics (MD) simulations of a monatomic system with Fermi-Jagla (FJ) pair potential interactions. This model system exhibits polyamorphism both in the liquid and glass state. The two liquids, low-density (LDL) and high-density liquid (HDL), are accessible in equilibrium MD simulations and can form two glasses, low-density (LDA) and high-density amorphous (HDA) solid, upon isobaric cooling. The FJ model exhibits many of the anomalous properties observed in water and other polyamorphic liquids and thus, it is an excellent model system to explore qualitatively the thermodynamic properties of such substances. The liquid phase behavior of the FJ model system has been previously characterized. In this work, we focus on the glass behavior of the FJ system. Specifically, we perform systematic isothermal compression and decompression simulations of LDA and HDA at different temperatures and determine "phase diagrams" for the glass state; these phase diagrams varying with the compression/decompression rate used. We obtain the LDA-to-HDA and HDA-to-LDA transition pressure loci, PLDA-HDA(T) and PHDA-LDA(T), respectively. In addition, the compression-induced amorphization line, at which the low-pressure crystal (LPC) transforms to HDA, PLPC-HDA(T), is determined. As originally proposed by Poole et al. [Phys. Rev. E 48, 4605 (1993)], 10.1103/PhysRevE.48.4605 simulations suggest that the PLDA-HDA(T) and PHDA-LDA(T) loci are extensions of the LDL-to-HDL and HDL-to-LDL spinodal lines into the glass domain. Interestingly, our simulations indicate that the PLPC-HDA(T) locus is an extension, into the glass domain, of the LPC metastability limit relative to the liquid. We discuss the effects of compression/decompression rates on the behavior of the PLDA-HDA(T), PHDA-LDA(T), PLPC-HDA(T) loci. The competition between glass polyamorphism and crystallization is also addressed. At our "fast rate," crystallization can be partially suppressed and the glass phase diagram can be related directly with the liquid phase diagram. However, at our "slow rate," crystallization cannot be prevented at intermediate temperatures, within the glass region. In these cases, multiple crystal-crystal transformations are found upon compression/decompression (polymorphism).

Glass and liquid phase diagram of a polyamorphic monatomic system.

PubMed

Reisman, Shaina; Giovambattista, Nicolas

2013-02-14

We perform out-of-equilibrium molecular dynamics (MD) simulations of a monatomic system with Fermi-Jagla (FJ) pair potential interactions. This model system exhibits polyamorphism both in the liquid and glass state. The two liquids, low-density (LDL) and high-density liquid (HDL), are accessible in equilibrium MD simulations and can form two glasses, low-density (LDA) and high-density amorphous (HDA) solid, upon isobaric cooling. The FJ model exhibits many of the anomalous properties observed in water and other polyamorphic liquids and thus, it is an excellent model system to explore qualitatively the thermodynamic properties of such substances. The liquid phase behavior of the FJ model system has been previously characterized. In this work, we focus on the glass behavior of the FJ system. Specifically, we perform systematic isothermal compression and decompression simulations of LDA and HDA at different temperatures and determine "phase diagrams" for the glass state; these phase diagrams varying with the compression/decompression rate used. We obtain the LDA-to-HDA and HDA-to-LDA transition pressure loci, P(LDA-HDA)(T) and P(HDA-LDA)(T), respectively. In addition, the compression-induced amorphization line, at which the low-pressure crystal (LPC) transforms to HDA, P(LPC-HDA)(T), is determined. As originally proposed by Poole et al. [Phys. Rev. E 48, 4605 (1993)] simulations suggest that the P(LDA-HDA)(T) and P(HDA-LDA)(T) loci are extensions of the LDL-to-HDL and HDL-to-LDL spinodal lines into the glass domain. Interestingly, our simulations indicate that the P(LPC-HDA)(T) locus is an extension, into the glass domain, of the LPC metastability limit relative to the liquid. We discuss the effects of compression/decompression rates on the behavior of the P(LDA-HDA)(T), P(HDA-LDA)(T), P(LPC-HDA)(T) loci. The competition between glass polyamorphism and crystallization is also addressed. At our "fast rate," crystallization can be partially suppressed and the glass phase diagram can be related directly with the liquid phase diagram. However, at our "slow rate," crystallization cannot be prevented at intermediate temperatures, within the glass region. In these cases, multiple crystal-crystal transformations are found upon compression/decompression (polymorphism).

The effects of Na on high pressure phases of CuIn(0.5)Ga(0.5)Se(2) from ab initio calculation.

PubMed

Pluengphon, P; Bovornratanaraks, T; Vannarat, S; Pinsook, U

2012-03-07

The effects of Na atoms on high pressure structural phase transitions of CuIn(0.5)Ga(0.5)Se(2) (CIGS) were studied by an ab initio method using density functional theory. At ambient pressure, CIGS is known to have chalcopyrite (I42d) structure. The high pressure phase transitions of CIGS were proposed to be the same as the order in the CuInSe(2) phase transitions which are I42d → Fm3m → Cmcm structures. By using the mixture atoms method, the Na concentration in CIGS was studied at 0.1, 1.0 and 6.25%. The positive mixing enthalpy of Na at In/Ga sites (Na(InGa)) is higher than that of Na at Cu sites (Na(Cu)). It confirmed previous studies that Na preferably substitutes on the Cu sites more than the (In, Ga) sites. From the energy-volume curves, we found that the effect of the Na substitutes is to reduce the hardness of CIGS under high pressure. The most significant effects occur at 6.25% Na. We also found that the electronic density of states of CIGS near the valence band maximum is increased noticeably in the chalcopyrite phase. The band gap is close in the cubic and orthorhombic phases. Also, the Na(Cu)-Se bond length in the chalcopyrite phase is significantly reduced at 6.25% Na, compared with the pure Cu-Se bond length. Consequently, the energy band gap in this phase is wider than in pure CIGS, and the gap increased at the rate of 31 meV GPa(-1) under pressure. The Na has a small effect on the transition pressure. The path of transformation from the cubic to orthorhombic phase was derived. The Cu-Se plane in the cubic phase displaced relatively parallel to the (In, Ga)-Se plane by 18% in order to transform to the Cmcm phase. The enthalpy barrier is 0.020 eV/atom, which is equivalent to a thermal energy of 248 K. We predicted that Fm3m and Cmcm can coexist in some pressure range.

Catalysis of partial chiral symmetry restoration by Δ matter

NASA Astrophysics Data System (ADS)

Takeda, Yusuke; Kim, Youngman; Harada, Masayasu

2018-06-01

We study the phase structure of dense hadronic matter including Δ (1232 ) as well as N (939 ) based on the parity partner structure, where the baryons have their chiral partners with a certain amount of chiral invariant masses. We show that, in symmetric matter, Δ enters into matter in the density region of about one to four times normal nuclear matter density, ρB˜1 -4 ρ0 . The onset density of Δ matter depends on the chiral invariant mass of Δ ,mΔ 0 : As mΔ 0 increases, the onset density becomes bigger. The stable Δ -nucleon matter is realized for ρB≳1.5 ρ0 , i.e., the phase transition from nuclear matter to Δ -nucleon matter is of first order for small mΔ 0, and it is of second order for large mΔ 0. We find that, associated with the phase transition, the chiral condensate changes very rapidly; i.e., the chiral symmetry restoration is accelerated by Δ matter. As a result of the accelerations, there appear N*(1535 ) and Δ (1700 ) , which are the chiral partners to N (939 ) and Δ (1232 ) , in high-density matter, signaling the partial chiral symmetry restoration. Furthermore, we find that complete chiral symmetry restoration itself is delayed by Δ matter. We also calculate the effective masses, pressure, and symmetry energy to study how the transition to Δ matter affects such physical quantities. We observe that the physical quantities change drastically at the transition density.

Effect of double density caging during Space Shuttle transport of laboratory rats

NASA Technical Reports Server (NTRS)

Riskowski, G. L.; Gonyou, H. W.; Harrison, P. C.; Kelley, K. W.; Tumbleson, M. E.

1993-01-01

Male Sprague Dawley rats were housed in groups of four in polycarbonate cages at recommended density and thermal environmental conditions for 14 days prior to testing to ensure uniform acclimation to those conditions. Body weights averaged 286 +/- 7 g at the end of acclimation. Rat cages were assigned randomly to three treatments: (1) 4 rats/polycarbonate cage (877 sq cm, 20.3 cm high, 220 sq cm/rat), (2) 4 rats/mock AEM (MAEM) (620 sq cm, 155 sq cm/rat), and (3) 8 rats/MAEM (620 sq cm, 77.5 sq cm/rat). A comparison between the MAEM-DD and MAEM-SD treatments was done to determine if doubling rat density in AEM's stressed the rats. A comparison among MAEM treatments and the PC treatment was done to determine if any stress indications were due to the AEM. During this density challenge phase, all treatments were maintained at the same thermal environmental conditions (22.5 C and 50 percent RH) for 10 days. After the density challenge phase, half the rats from each group were sacrificed for body tissue and fluid analyses. The remaining half of the rats were housed at a density of 4 rats/cage in polycarbonate cages at normal thermal environmental conditions for an additional 10 days to determine if there were any differences in responses between treatments after a recovery period. The remaining rats were examined and sacrificed for body tissue and fluid analyses at the end of the recovery phase.

High-energy MnO2 nanowire/graphene and graphene asymmetric electrochemical capacitors.

PubMed

Wu, Zhong-Shuai; Ren, Wencai; Wang, Da-Wei; Li, Feng; Liu, Bilu; Cheng, Hui-Ming

2010-10-26

In order to achieve high energy and power densities, we developed a high-voltage asymmetric electrochemical capacitor (EC) based on graphene as negative electrode and a MnO(2) nanowire/graphene composite (MGC) as positive electrode in a neutral aqueous Na(2)SO(4) solution as electrolyte. MGC was prepared by solution-phase assembly of graphene sheets and α-MnO(2) nanowires. Such aqueous electrolyte-based asymmetric ECs can be cycled reversibly in the high-voltage region of 0-2.0 V and exhibit a superior energy density of 30.4 Wh kg(-1), which is much higher than those of symmetric ECs based on graphene//graphene (2.8 Wh kg(-1)) and MGC//MGC (5.2 Wh kg(-1)). Moreover, they present a high power density (5000 W kg(-1) at 7.0 Wh kg(-1)) and acceptable cycling performance of ∼79% retention after 1000 cycles. These findings open up the possibility of graphene-based composites for applications in safe aqueous electrolyte-based high-voltage asymmetric ECs with high energy and power densities.

Direct comparison of Viking 2.3-GHz signal phase fluctuation and columnar electron density between 2 and 160 solar radii

NASA Technical Reports Server (NTRS)

Berman, A. L.; Wackley, J. A.; Hietzke, W. H.

1982-01-01

The relationship between solar wind induced signal phase fluctuation and solar wind columnar electron density has been the subject of intensive analysis during the last two decades. In this article, a sizeable volume of 2.3-GHz signal phase fluctuation and columnar electron density measurements separately and concurrently inferred from Viking spacecraft signals are compared as a function of solar geometry. These data demonstrate that signal phase fluctuation and columnar electron density are proportional over a very wide span of solar elongation angle. A radially dependent electron density model which provides a good fit to the columnar electron density measurements and, when appropriately scaled, to the signal phase fluctuation measurements, is given. This model is also in good agreement with K-coronameter observations at 2 solar radii (2r0), with pulsar time delay measurements at 10r0, and with spacecraft in situ electron density measurements at 1 AU.

Tuning Li-Ion Diffusion in α-LiMn 1–x Fe x PO 4 Nanocrystals by Antisite Defects and Embedded β-Phase for Advanced Li-Ion Batteries

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

Hu, Jiangtao; Xiao, Yinguo; Tang, Hanting

Olivine-structured LiMn1-xFexPO4 has become a promising candidate for cathode materials owing to its higher working voltage of 4.1 V and thus larger energy density than that of LiFePO4, which has been used for electric vehicles batteries with the advantage of high safety but disadvantage of low energy density due to its lower working voltage of 3.4 V. One drawback of LiMn1-xFexPO4 electrode is its relatively low electronic and Li-ionic conductivity with Li-ion one-dimensional diffusion. Herein, olivine-structured α-LiMn0.5Fe0.5PO4 nanocrystals were synthesized with optimized Li-ion diffusion channels in LiMn1-xFexPO4 nanocrystals by inducing high concentrations of Fe2+-Li+ antisite defects, which showed impressive capacitymore » improvements of approaching 162, 127, 73, and 55 mAh g-1 at 0.1, 10, 50, and 100 C, respectively, and a long-term cycling stability of maintaining about 74% capacity after 1000 cycles at 10 C. By using high-resolution transmission electron microscopy imaging and joint refinement of hard X-ray and neutron powder diffraction patterns, we revealed that the extraordinary high-rate performance could be achieved by suppressing the formation of electrochemically inactive phase (β-LiMn1-xFexPO4, which is first reported in this work) embedded in α-LiMn0.5Fe0.5PO4. Because of the coherent orientation relationship between β- and α- phases, the β-phase embedded would impede the Li+ diffusion along the [100] and/or [001] directions that was activated by the high density of Fe2+-Li+ antisite (4.24%) in α-phase. Thus, by optimizing concentrations of Fe2+-Li+ antisite defects and suppressing β-phase-embedded olivine structure, Li-ion diffusion properties in LiMn1-xFexPO4 nanocrystals can be tuned by generating new Li+ tunneling. These findings may provide insights into the design and generation of other advanced electrode materials with improved rate performance.« less

Tuning Li-Ion Diffusion in α-LiMn 1–xFe xPO 4 Nanocrystals by Antisite Defects and Embedded β-Phase for Advanced Li-Ion Batteries

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

Hu, Jiangtao; Xiao, Yinguo; Tang, Hanting

Olivine-structured LiMn 1–xFe xPO 4 has become a promising candidate for cathode materials owing to its higher working voltage of 4.1 V and thus larger energy density than that of LiFePO 4, which has been used for electric vehicles batteries with the advantage of high safety but disadvantage of low energy density due to its lower working voltage of 3.4 V. One drawback of LiMn 1–xFe xPO 4 electrode is its relatively low electronic and Li-ionic conductivity with Li-ion one-dimensional diffusion. In this paper, olivine-structured α-LiMn 0.5Fe 0.5PO 4 nanocrystals were synthesized with optimized Li-ion diffusion channels in LiMn 1–xFemore » xPO 4 nanocrystals by inducing high concentrations of Fe 2+–Li + antisite defects, which showed impressive capacity improvements of approaching 162, 127, 73, and 55 mAh g –1 at 0.1, 10, 50, and 100 C, respectively, and a long-term cycling stability of maintaining about 74% capacity after 1000 cycles at 10 C. By using high-resolution transmission electron microscopy imaging and joint refinement of hard X-ray and neutron powder diffraction patterns, we revealed that the extraordinary high-rate performance could be achieved by suppressing the formation of electrochemically inactive phase (β-LiMn 1–xFe xPO 4, which is first reported in this work) embedded in α-LiMn 0.5Fe 0.5PO 4. Because of the coherent orientation relationship between β- and α-phases, the β-phase embedded would impede the Li + diffusion along the [100] and/or [001] directions that was activated by the high density of Fe 2+–Li + antisite (4.24%) in α-phase. Thus, by optimizing concentrations of Fe 2+–Li + antisite defects and suppressing β-phase-embedded olivine structure, Li-ion diffusion properties in LiMn 1–xFe xPO 4 nanocrystals can be tuned by generating new Li + tunneling. Finally, these findings may provide insights into the design and generation of other advanced electrode materials with improved rate performance.« less

Tuning Li-Ion Diffusion in α-LiMn 1–xFe xPO 4 Nanocrystals by Antisite Defects and Embedded β-Phase for Advanced Li-Ion Batteries

DOE PAGES

Hu, Jiangtao; Xiao, Yinguo; Tang, Hanting; ...

2017-07-13

Olivine-structured LiMn 1–xFe xPO 4 has become a promising candidate for cathode materials owing to its higher working voltage of 4.1 V and thus larger energy density than that of LiFePO 4, which has been used for electric vehicles batteries with the advantage of high safety but disadvantage of low energy density due to its lower working voltage of 3.4 V. One drawback of LiMn 1–xFe xPO 4 electrode is its relatively low electronic and Li-ionic conductivity with Li-ion one-dimensional diffusion. In this paper, olivine-structured α-LiMn 0.5Fe 0.5PO 4 nanocrystals were synthesized with optimized Li-ion diffusion channels in LiMn 1–xFemore » xPO 4 nanocrystals by inducing high concentrations of Fe 2+–Li + antisite defects, which showed impressive capacity improvements of approaching 162, 127, 73, and 55 mAh g –1 at 0.1, 10, 50, and 100 C, respectively, and a long-term cycling stability of maintaining about 74% capacity after 1000 cycles at 10 C. By using high-resolution transmission electron microscopy imaging and joint refinement of hard X-ray and neutron powder diffraction patterns, we revealed that the extraordinary high-rate performance could be achieved by suppressing the formation of electrochemically inactive phase (β-LiMn 1–xFe xPO 4, which is first reported in this work) embedded in α-LiMn 0.5Fe 0.5PO 4. Because of the coherent orientation relationship between β- and α-phases, the β-phase embedded would impede the Li + diffusion along the [100] and/or [001] directions that was activated by the high density of Fe 2+–Li + antisite (4.24%) in α-phase. Thus, by optimizing concentrations of Fe 2+–Li + antisite defects and suppressing β-phase-embedded olivine structure, Li-ion diffusion properties in LiMn 1–xFe xPO 4 nanocrystals can be tuned by generating new Li + tunneling. Finally, these findings may provide insights into the design and generation of other advanced electrode materials with improved rate performance.« less

Nucleon properties in the Polyakov quark-meson model

NASA Astrophysics Data System (ADS)

Li, Yingying; Hu, Jinniu; Mao, Hong

2018-05-01

We study the nucleon as a nontopological soliton in a quark medium as well as in a nucleon medium in terms of the Polyakov quark-meson (PQM) model with two flavors at finite temperature and density. The constituent quark masses evolving with the temperature at various baryon chemical potentials are calculated and the equations of motion are solved according to the proper boundary conditions. The PQM model predicts an increasing size of the nucleon and a reduction of the nucleon mass in both hot environment. However, the phase structure is different from each other in quark and nucleon mediums. There is a crossover in the low-density region and a first-order phase transition in the high-density region in quark medium, whereas there exists a crossover characterized by the overlap of the nucleons in nucleon medium.

SOTXTSTREAM: Density-based self-organizing clustering of text streams.

PubMed

Bryant, Avory C; Cios, Krzysztof J

2017-01-01

A streaming data clustering algorithm is presented building upon the density-based self-organizing stream clustering algorithm SOSTREAM. Many density-based clustering algorithms are limited by their inability to identify clusters with heterogeneous density. SOSTREAM addresses this limitation through the use of local (nearest neighbor-based) density determinations. Additionally, many stream clustering algorithms use a two-phase clustering approach. In the first phase, a micro-clustering solution is maintained online, while in the second phase, the micro-clustering solution is clustered offline to produce a macro solution. By performing self-organization techniques on micro-clusters in the online phase, SOSTREAM is able to maintain a macro clustering solution in a single phase. Leveraging concepts from SOSTREAM, a new density-based self-organizing text stream clustering algorithm, SOTXTSTREAM, is presented that addresses several shortcomings of SOSTREAM. Gains in clustering performance of this new algorithm are demonstrated on several real-world text stream datasets.

The degree and nature of radiation damage in zircon observed by 29Si nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Farnan, I.; Salje, E. K. H.

2001-02-01

A quantitative analysis of 29Si nuclear magnetic resonance spectra of radiation damaged, natural zircons showed that the local structure in crystalline and amorphous regions depend explicitly on radiation dose. Nonpercolating amorphous islands of high density "glass" within the crystalline matrix show a low interconnectivity of SiO4 tetrahedra. This structural state is quite different from that of the high dose, percolating regions of low density glass with more polymerised tetrahedra. A continuous nonlinear dose dependence between the high and low density glass states is reported. A continuous evolution of the local structure of the crystalline phase up to the percolation point is also reported. No phase separation into binary oxides was observed. The total number of permanently displaced atoms per α-recoil event is ˜3800 atoms for low radiation doses and decreases to ˜2000 atoms for 10×1018 α events/g. No indication of partitioning of paramagnetic impurities between crystalline and amorphous regions was found for these natural zircons. The amorphous fractions of the metamict zircons were determined as a function of their accumulated radiation dose. These values coincide closely with those recently determined by x-ray diffraction studies. They are much greater than previously assumed based on density measurements. The dose dependence is consistent with the concept of direct impact amorphization in the atomic cascade following an α-recoil event.

Kinetically Controlled Two-Step Amorphization and Amorphous-Amorphous Transition in Ice.

PubMed

Lin, Chuanlong; Yong, Xue; Tse, John S; Smith, Jesse S; Sinogeikin, Stanislav V; Kenney-Benson, Curtis; Shen, Guoyin

2017-09-29

We report the results of in situ structural characterization of the amorphization of crystalline ice Ih under compression and the relaxation of high-density amorphous (HDA) ice under decompression at temperatures between 96 and 160 K by synchrotron x-ray diffraction. The results show that ice Ih transforms to an intermediate crystalline phase at 100 K prior to complete amorphization, which is supported by molecular dynamics calculations. The phase transition pathways show clear temperature dependence: direct amorphization without an intermediate phase is observed at 133 K, while at 145 K a direct Ih-to-IX transformation is observed; decompression of HDA shows a transition to low-density amorphous ice at 96 K and ∼1  Pa, to ice Ic at 135 K and to ice IX at 145 K. These observations show that the amorphization of compressed ice Ih and the recrystallization of decompressed HDA are strongly dependent on temperature and controlled by kinetic barriers. Pressure-induced amorphous ice is an intermediate state in the phase transition from the connected H-bond water network in low pressure ices to the independent and interpenetrating H-bond network of high-pressure ices.

Kinetically Controlled Two-Step Amorphization and Amorphous-Amorphous Transition in Ice

NASA Astrophysics Data System (ADS)

Lin, Chuanlong; Yong, Xue; Tse, John S.; Smith, Jesse S.; Sinogeikin, Stanislav V.; Kenney-Benson, Curtis; Shen, Guoyin

2017-09-01

We report the results of in situ structural characterization of the amorphization of crystalline ice Ih under compression and the relaxation of high-density amorphous (HDA) ice under decompression at temperatures between 96 and 160 K by synchrotron x-ray diffraction. The results show that ice Ih transforms to an intermediate crystalline phase at 100 K prior to complete amorphization, which is supported by molecular dynamics calculations. The phase transition pathways show clear temperature dependence: direct amorphization without an intermediate phase is observed at 133 K, while at 145 K a direct Ih-to-IX transformation is observed; decompression of HDA shows a transition to low-density amorphous ice at 96 K and ˜1 Pa , to ice Ic at 135 K and to ice IX at 145 K. These observations show that the amorphization of compressed ice Ih and the recrystallization of decompressed HDA are strongly dependent on temperature and controlled by kinetic barriers. Pressure-induced amorphous ice is an intermediate state in the phase transition from the connected H-bond water network in low pressure ices to the independent and interpenetrating H-bond network of high-pressure ices.

Kinetically Controlled Two-Step Amorphization and Amorphous-Amorphous Transition in Ice

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

Lin, Chuanlong; Yong, Xue; Tse, John S.

We report the results of in situ structural characterization of the amorphization of crystalline ice Ih under compression and the relaxation of high-density amorphous (HDA) ice under decompression at temperatures between 96 and 160 K by synchrotron x-ray diffraction. The results show that ice Ih transforms to an intermediate crystalline phase at 100 K prior to complete amorphization, which is supported by molecular dynamics calculations. The phase transition pathways show clear temperature dependence: direct amorphization without an intermediate phase is observed at 133 K, while at 145 K a direct Ih-to-IX transformation is observed; decompression of HDA shows a transitionmore » to low-density amorphous ice at 96 K and ~ 1 Pa , to ice Ic at 135 K and to ice IX at 145 K. These observations show that the amorphization of compressed ice Ih and the recrystallization of decompressed HDA are strongly dependent on temperature and controlled by kinetic barriers. Pressure-induced amorphous ice is an intermediate state in the phase transition from the connected H-bond water network in low pressure ices to the independent and interpenetrating H-bond network of high-pressure ices.« less

X-ray imaging for studying behavior of liquids at high pressures and high temperatures using Paris-Edinburgh press

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

Kono, Yoshio; Kenney-Benson, Curtis; Park, Changyong

2015-07-15

Several X-ray techniques for studying structure, elastic properties, viscosity, and immiscibility of liquids at high pressures have been integrated using a Paris-Edinburgh press at the 16-BM-B beamline of the Advanced Photon Source. Here, we report the development of X-ray imaging techniques suitable for studying behavior of liquids at high pressures and high temperatures. White X-ray radiography allows for imaging phase separation and immiscibility of melts at high pressures, identified not only by density contrast but also by phase contrast imaging in particular for low density contrast liquids such as silicate and carbonate melts. In addition, ultrafast X-ray imaging, at framemore » rates up to ∼10{sup 5} frames/second (fps) in air and up to ∼10{sup 4} fps in Paris-Edinburgh press, enables us to investigate dynamics of liquids at high pressures. Very low viscosities of melts similar to that of water can be reliably measured. These high-pressure X-ray imaging techniques provide useful tools for understanding behavior of liquids or melts at high pressures and high temperatures.« less

Simultaneous Cotton-Mouton and Faraday rotation angle measurements on JET

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

Boboc, A.; Zabeo, L.; Murari, A.

The change in the ellipticity of a laser beam that passes through plasma due to the Cotton-Mouton effect can provide additional information on the plasma density. This approach, complementary to the more traditional interferometric methods, has been implemented recently using the JET interferometer-polarimeter with a new setup. Routine Cotton-Mouton phase shift measurements are made on the vertical central chords simultaneously with the Faraday rotation angle data. These new data are used to provide robust line-integrated density measurements in difficult plasma scenarios, with strong Edge Localized Modes (ELMs) or pellets. These always affect interferometry, causing fringe jumps and preventing good controlmore » of the plasma density. A comparison of line-integrated density from polarimetry and interferometry measurements shows an agreement within 10%. Moreover, in JET the measurements can be performed close to a reactor relevant range of parameters, in particular, at high densities and temperatures. This provides a unique opportunity to assess the quality of the Faraday rotation and Cotton-Mouton phase shift measurements where both effects are strong and mutual nonlinear interaction between the two effects takes place.« less

Extremely large magnetoresistance and high-density Dirac-like fermions in ZrB2

NASA Astrophysics Data System (ADS)

Wang, Qi; Guo, Peng-Jie; Sun, Shanshan; Li, Chenghe; Liu, Kai; Lu, Zhong-Yi; Lei, Hechang

2018-05-01

We report the detailed study on transport properties of ZrB2 single crystal, a predicted topological nodal-line semimetal. ZrB2 exhibits extremely large magnetoresistance as well as field-induced resistivity upturn and plateau. These behaviors can be well understood by the two-band model with the perfect electron-hole compensation and high carrier mobilities. More importantly, the electrons with small effective masses and nontrivial Berry phase have significantly high density when compared to those in known topological semimetals. It strongly suggests that ZrB2 hosts Dirac-like nodal-line fermions.

High Density Lidar and Orthophotography in UXO Wide Area Assessment Phase 2. Final Report Addendum for Former Camp Beale Demonstration Site, Revision 2

DTIC Science & Technology

2008-01-01

color balancing, and trimming to the delivery tiles . For the Former Camp Beale site, orthophotos were created in blocks of 2.675 square kilometers, in...3-19 3.7.12 Data Density Effects - Orthophotos ...3-27 3.7.18 Lidar and Orthophoto Positional Accuracy ........................................... 3-29 4.0 PERFORMANCE ASSESSMENT

Upward shift of the vortex solid phase in high-temperature-superconducting wires through high density nanoparticle addition

DOE PAGES

Miura, Masashi; Maiorov, Boris; Balakirev, Fedor F.; ...

2016-02-08

Here, we show a simple and effective way to improve the vortex irreversibility line up to very high magnetic fields (60T) by increasing the density of second phase BaZrO 3 nanoparticles. (Y 0.77,Gd 0.23)Ba 2Cu 3O y films were grown on metal substrates with different concentration of BaZrO 3 nanoparticles by the metal organic deposition method. We find that upon increase of the BaZrO 3 concentration, the nanoparticle size remains constant but the twin-boundary density increases. Up to the highest nanoparticle concentration (n ~ 1.3 × 10 22/m 3), the irreversibility field (H irr) continues to increase with no signmore » of saturation up to 60 T, although the vortices vastly outnumber pinning centers. We find extremely high H irr, namely H irr = 30 T (H||45°) and 24 T (H||c) at 65 K and 58 T (H||45°) and 45 T (H||c) at 50K. The difference in pinning landscape shifts the vortex solid-liquid transition upwards, increasing the vortex region useful for power applications, while keeping the upper critical field, critical temperature and electronic mass anisotropy unchanged.« less

Talbot-Lau x-ray interferometry for high energy density plasma diagnostic.

PubMed

Stutman, D; Finkenthal, M

2011-11-01

High resolution density diagnostics are difficult in high energy density laboratory plasmas (HEDLP) experiments due to the scarcity of probes that can penetrate above solid density plasmas. Hard x-rays are one possible probe for such dense plasmas. We study the possibility of applying an x-ray method recently developed for medical imaging, differential phase-contrast with Talbot-Lau interferometers, for the diagnostic of electron density and small-scale hydrodynamic instabilities in HEDLP experiments. The Talbot method uses micro-periodic gratings to measure the refraction and ultra-small angle scatter of x-rays through an object and is attractive for HEDLP diagnostic due to its capability to work with incoherent and polychromatic x-ray sources such as the laser driven backlighters used for HEDLP radiography. Our paper studies the potential of the Talbot method for HEDLP diagnostic, its adaptation to the HEDLP environment, and its extension of high x-ray energy using micro-periodic mirrors. The analysis is illustrated with experimental results obtained using a laboratory Talbot interferometer. © 2011 American Institute of Physics

Positional ordering of hard adsorbate particles in tubular nanopores

NASA Astrophysics Data System (ADS)

Gurin, Péter; Varga, Szabolcs; Martínez-Ratón, Yuri; Velasco, Enrique

2018-05-01

The phase behavior and structural properties of a monolayer of hard particles is examined in such a confinement where the adsorbed particles are constrained to the surface of a narrow hard cylindrical pore. The diameter of the pore is chosen such that only first- and second-neighbor interactions occur between the hard particles. The transfer operator method of [Percus and Zhang, Mol. Phys. 69, 347 (1990), 10.1080/00268979000100241] is reformulated to obtain information about the structure of the monolayer. We have found that a true phase transition is not possible in the examined range of pore diameters. The monolayer of hard spheres undergoes a structural change from fluidlike order to a zigzaglike solid one with increasing surface density. The case of hard cylinders is different in the sense that a layering takes place continuously between a low-density one-row and a high-density two-row monolayer. Our results reveal a clear discrepancy with classical density functional theories, which do not distinguish smecticlike ordering in bulk from that in narrow periodic pores.

Connecting thermodynamic and dynamical anomalies of water-like liquid-liquid phase transition in the Fermi-Jagla model

NASA Astrophysics Data System (ADS)

Higuchi, Saki; Kato, Daiki; Awaji, Daisuke; Kim, Kang

2018-03-01

We present a study using molecular dynamics simulations based on the Fermi-Jagla potential model, which is the continuous version of the mono-atomic core-softened Jagla model [J. Y. Abraham, S. V. Buldyrev, and N. Giovambattista, J. Phys. Chem. B 115, 14229 (2011)]. This model shows the water-like liquid-liquid phase transition between high-density and low-density liquids at the liquid-liquid critical point. In particular, the slope of the coexistence line becomes weakly negative, which is expected to represent one of the anomalies of liquid polyamorphism. In this study, we examined the density, dynamic, and thermodynamic anomalies in the vicinity of the liquid-liquid critical point. The boundaries of density, self-diffusion, shear viscosity, and excess entropy anomalies were characterized. Furthermore, these anomalies are connected according to Rosenfeld's scaling relationship between the excess entropy and the transport coefficients such as diffusion and viscosity. The results demonstrate the hierarchical and nested structures regarding the thermodynamic and dynamic anomalies of the Fermi-Jagla model.

Onset of two-dimensional superconductivity in space charge doped few-layer molybdenum disulfide

PubMed Central

Biscaras, Johan; Chen, Zhesheng; Paradisi, Andrea; Shukla, Abhay

2015-01-01

Atomically thin films of layered materials such as molybdenum disulfide (MoS2) are of growing interest for the study of phase transitions in two-dimensions through electrostatic doping. Electrostatic doping techniques giving access to high carrier densities are needed to achieve such phase transitions. Here we develop a method of electrostatic doping which allows us to reach a maximum n-doping density of 4 × 1014 cm−2 in few-layer MoS2 on glass substrates. With increasing carrier density we first induce an insulator to metal transition and subsequently an incomplete metal to superconductor transition in MoS2 with critical temperature ≈10 K. Contrary to earlier reports, after the onset of superconductivity, the superconducting transition temperature does not depend on the carrier density. Our doping method and the results we obtain in MoS2 for samples as thin as bilayers indicates the potential of this approach. PMID:26525386

Solution of semi-flexible self-avoiding trails on a Husimi lattice built with squares

NASA Astrophysics Data System (ADS)

Oliveira, Tiago J.; Dantas, Wellington G.; Prellberg, Thomas; Stilck, Jürgen F.

2018-02-01

We study a model of semi-flexible self-avoiding trails, where the lattice paths are constrained to visit each lattice edge at most once, with configurations weighted by the number of collisions, crossings and bends, on a Husimi lattice built with squares. We find a rich phase diagram with five phases: a non-polymerised phase (NP), low density (P1) and high density (P2) polymerised phases, and, for sufficiently large stiffness, two additional anisotropic (nematic) (AN1 and AN2) polymerised phases within the P1 phase. Moreover, the AN1 phase which shows a broken symmetry with a preferential direction, is separated from the P1 phase by the other nematic AN2 phase. Although this scenario is similar to what was found in our previous calculation on the Bethe lattice, where the AN-P1 transition was discontinuous and critical, the presence of the additional nematic phase between them introduces a qualitative difference. Other details of the phase diagram are that a line of tri-critical points may separate the P1-P2 transition surface into a continuous and a discontinuous portion, and that the same may happen at the NP-P1 transition surface, details of which depend on whether crossings are allowed or forbidden. A critical end-point line is also found in the phase diagram.

Consolidation of cubic and hexagonal boron nitride composites

DOE PAGES

Du Frane, W. L.; Cervantes, O.; Ellsworth, G. F.; ...

2015-12-08

When we Consolidate cubic boron nitride (cBN) it typically requires either a matrix of metal bearing materials that are undesirable for certain applications, or very high pressures within the cBN phase stability field that are prohibitive to manufacturing size and cost. We present new methodology for consolidating high stiffness cBN composites within a hexagonal boron nitride (hBN) matrix (15–25 vol%) with the aid of a binder phase (0–6 vol%) at moderate pressures (0.5–1.0 GPa) and temperatures (900–1300 °C). The composites are demonstrated to be highly tailorable with a range of compositions and resulting physical/mechanical properties. Ultrasonic measurements indicate that inmore » some cases these composites have elastic mechanical properties that exceed those of the highest strength steel alloys. Moreover, two methods were identified to prevent phase transformation of the metastable cBN phase into hBN during consolidation: 1. removal of hydrocarbons, and 2. increased cBN particle size. Lithium tetraborate worked better as a binder than boron oxide, aiding consolidation without enhancing cBN to hBN phase transformation kinetics. These powder mixtures consolidated within error of their full theoretical mass densities at 1 GPa, and had only slightly lower densities at 0.5 GPa. This shows potential for consolidation of these composites into larger parts, in a variety of shapes, at even lower pressures using more conventional manufacturing methods, such as hot-pressing.« less

The morphology of blends of linear and branched polyethylenes

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

Wignall, G.D.; Londono, J.D.; Alamo, R.G.

1995-12-31

The state of mixing in blends of high density (HD), low density (LD) and linear low density (LLD) polyethylenes (PE) in the melt and solid states has been examined by small-angle x-ray and neutron scattering (SAXS and SANS). In the melt, SANS results indicate that HDPE/LDPE mixtures (with 1-2 branches/100 C) form a single phase. HDPE/LLDPE blends are also homogeneous when the branch content is low, but phase separate as the branching increases. In the solid state, after slow-cooling from the melt, the HDPE/LDPE system segregates into domains {approximately}10{sup 2} in size. For high concentrations of linear polymer ({phi} {ge}more » 0.5), there are separate stacks of HDPE and LDPE lamellae, and the measured SANS cross section agrees closely with the theoretical calculation based on the assumption of complete phase separation of the components. For predominantly branched blends ({phi} < 0.5), the phase segregation is less complete, and the components are separated within the same lamellar stack. Moreover, the phases no longer consist of the pure components, and the HDPE lamellae contain up to 15% LDPE. The segregation of components in the solid state is a consequence of crystallization mechanisms and the blend morphology is a strong function of the cooling rate. Rapid quenching to -78{degrees}C produces only one lamellar stack and these blends show extensive cocrystallization. Samples quenched less rapidly (e.g., into water at 23{degrees}C) show a similar structure to slowly cooled samples. The solid state morphology also depends on the type of branching and differences between HDPE/LDPE and HDPE/LLDPE blends will be reviewed.« less

Structures of two intermediate phases between the B1 and B2 phases of PbS under high pressure

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

Li, Yanchun, E-mail: liyc@ihep.ac.cn, E-mail: liuj@ihep.ac.cn; Lin, Chuanlong; Li, Xiaodong

2014-12-15

The structural transitions of PbS were investigated at pressures up to 50 GPa using synchrotron powder and single crystal X-ray diffraction (XRD) methods in diamond anvil cells. We found two intermediate phases between the B1 phase under atmospheric pressure and the B2 phase at 21.1 GPa, which is different to previous reports. The structures of these two intermediate phases were indexed as B27 and B33, respectively. Their structural parameters were investigated using density functional theory (DFT) calculations. Our results provide a new insight into understanding the transition pathway between the B1 and B2 phases in PbS.

Multiple pathways in pressure-induced phase transition of coesite

NASA Astrophysics Data System (ADS)

Liu, Wei; Wu, Xuebang; Liang, Yunfeng; Liu, Changsong; Miranda, Caetano R.; Scandolo, Sandro

2017-12-01

High-pressure single-crystal X-ray diffraction method with precise control of hydrostatic conditions, typically with helium or neon as the pressure-transmitting medium, has significantly changed our view on what happens with low-density silica phases under pressure. Coesite is a prototype material for pressure-induced amorphization. However, it was found to transform into a high-pressure octahedral (HPO) phase, or coesite-II and coesite-III. Given that the pressure is believed to be hydrostatic in two recent experiments, the different transformation pathways are striking. Based on molecular dynamic simulations with an ab initio parameterized potential, we reproduced all of the above experiments in three transformation pathways, including the one leading to an HPO phase. This octahedral phase has an oxygen hcp sublattice featuring 2 × 2 zigzag octahedral edge-sharing chains, however with some broken points (i.e., point defects). It transforms into α-PbO2 phase when it is relaxed under further compression. We show that the HPO phase forms through a continuous rearrangement of the oxygen sublattice toward hcp arrangement. The high-pressure amorphous phases can be described by an fcc and hcp sublattice mixture.

Stable Aqueous Foams from Cellulose Nanocrystals and Methyl Cellulose.

PubMed

Hu, Zhen; Xu, Richard; Cranston, Emily D; Pelton, Robert H

2016-12-12

The addition of cellulose nanocrystals (CNC) greatly enhanced the properties of methylcellulose (MC) stabilized aqueous foams. CNC addition decreased air bubble size, initial foam densities and drainage rates. Mixtures of 2 wt % CNC + 0.5 wt % MC gave the lowest density foams. This composition sits near the onset of nematic phase formation and also near the overlap concentration of methylcellulose. More than 94% of the added CNC particles remained in the foam phase, not leaving with the draining water. We propose that the nanoscale CNC particles bind to the larger MC coils both in solution and with MC at the air/water interface, forming weak gels that stabilize air bubbles. Wet CNC-MC foams were sufficiently robust to withstand high temperature (70 °C for 6 h) polymerization of water-soluble monomers giving macroporous CNC composite hydrogels based on acrylamide (AM), 2-hydroxyethyl methacrylate (HEMA), or polyethylene glycol diacrylate (PEGDA). At high temperatures, the MC was present as a fibrillar gel phase reinforced by CNC particles, explaining the very high foam stability. Finally, our CNC-MC foams are based on commercially available forms of CNC and MC, already approved for many applications. This is a "shovel-ready" technology.

Realizing zT of 2.3 in Ge1-x-y Sbx Iny Te via Reducing the Phase-Transition Temperature and Introducing Resonant Energy Doping.

PubMed

Hong, Min; Chen, Zhi-Gang; Yang, Lei; Zou, Yi-Chao; Dargusch, Matthew S; Wang, Hao; Zou, Jin

2018-03-01

GeTe with rhombohedral-to-cubic phase transition is a promising lead-free thermoelectric candidate. Herein, theoretical studies reveal that cubic GeTe has superior thermoelectric behavior, which is linked to (1) the two valence bands to enhance the electronic transport coefficients and (2) stronger enharmonic phonon-phonon interactions to ensure a lower intrinsic thermal conductivity. Experimentally, based on Ge 1- x Sb x Te with optimized carrier concentration, a record-high figure-of-merit of 2.3 is achieved via further doping with In, which induces the distortion of the density of states near the Fermi level. Moreover, Sb and In codoping reduces the phase-transition temperature to extend the better thermoelectric behavior of cubic GeTe to low temperature. Additionally, electronic microscopy characterization demonstrates grain boundaries, a high-density of stacking faults, and nanoscale precipitates, which together with the inevitable point defects result in a dramatically decreased thermal conductivity. The fundamental investigation and experimental demonstration provide an important direction for the development of high-performance Pb-free thermoelectric materials. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Active control of bright electron beams with RF optics for femtosecond microscopy

DOE PAGES

Williams, J.; Zhou, F.; Sun, T.; ...

2017-08-01

A frontier challenge in implementing femtosecond electron microscopy is to gain precise optical control of intense beams to mitigate collective space charge effects for significantly improving the throughput. In this paper, we explore the flexible uses of an RF cavity as a longitudinal lens in a high-intensity beam column for condensing the electron beams both temporally and spectrally, relevant to the design of ultrafast electron microscopy. Through the introduction of a novel atomic grating approach for characterization of electron bunch phase space and control optics, we elucidate the principles for predicting and controlling the phase space dynamics to reach optimalmore » compressions at various electron densities and generating conditions. We provide strategies to identify high-brightness modes, achieving ~100 fs and ~1 eV resolutions with 10 6 electrons per bunch, and establish the scaling of performance for different bunch charges. These results benchmark the sensitivity and resolution from the fundamental beam brightness perspective and also validate the adaptive optics concept to enable delicate control of the density-dependent phase space structures to optimize the performance, including delivering ultrashort, monochromatic, high-dose, or coherent electron bunches.« less

Active control of bright electron beams with RF optics for femtosecond microscopy

PubMed Central

Williams, J.; Zhou, F.; Sun, T.; Tao, Z.; Chang, K.; Makino, K.; Berz, M.; Duxbury, P. M.; Ruan, C.-Y.

2017-01-01

A frontier challenge in implementing femtosecond electron microscopy is to gain precise optical control of intense beams to mitigate collective space charge effects for significantly improving the throughput. Here, we explore the flexible uses of an RF cavity as a longitudinal lens in a high-intensity beam column for condensing the electron beams both temporally and spectrally, relevant to the design of ultrafast electron microscopy. Through the introduction of a novel atomic grating approach for characterization of electron bunch phase space and control optics, we elucidate the principles for predicting and controlling the phase space dynamics to reach optimal compressions at various electron densities and generating conditions. We provide strategies to identify high-brightness modes, achieving ∼100 fs and ∼1 eV resolutions with 106 electrons per bunch, and establish the scaling of performance for different bunch charges. These results benchmark the sensitivity and resolution from the fundamental beam brightness perspective and also validate the adaptive optics concept to enable delicate control of the density-dependent phase space structures to optimize the performance, including delivering ultrashort, monochromatic, high-dose, or coherent electron bunches. PMID:28868325

Electron momentum density and band structure calculations of α- and β-GeTe

NASA Astrophysics Data System (ADS)

Vadkhiya, Laxman; Arora, Gunjan; Rathor, Ashish; Ahuja, B. L.

2011-12-01

We have measured isotropic experimental Compton profile of α-GeTe by employing high energy (662 keV) γ-radiation from a 137Cs isotope. To compare our experiment, we have also computed energy bands, density of states, electron momentum densities and Compton profiles of α- and β-phases of GeTe using the linear combination of atomic orbitals method. The electron momentum density is found to play a major role in understanding the topology of bands in the vicinity of the Fermi level. It is seen that the density functional theory (DFT) with generalised gradient approximation is relatively in better agreement with the experiment than the local density approximation and hybrid Hartree-Fock/DFT.

A Rechargeable High-Temperature Molten Salt Iron-Oxygen Battery.

PubMed

Peng, Cheng; Guan, Chengzhi; Lin, Jun; Zhang, Shiyu; Bao, Hongliang; Wang, Yu; Xiao, Guoping; Chen, George Zheng; Wang, Jian-Qiang

2018-06-11

The energy and power density of conventional batteries are far lower than their theoretical expectations, primarily because of slow reaction kinetics that are often observed under ambient conditions. Here we describe a low-cost and high-temperature rechargeable iron-oxygen battery containing a bi-phase electrolyte of molten carbonate and solid oxide. This new design merges the merits of a solid-oxide fuel cell and molten metal-air battery, offering significantly improved battery reaction kinetics and power capability without compromising the energy capacity. The as-fabricated battery prototype can be charged at high current density, and exhibits excellent stability and security in the highly charged state. It typically exhibits specific energy, specific power, energy density, and power density of 129.1 Wh kg -1 , 2.8 kW kg -1 , 388.1 Wh L -1 , and 21.0 kW L -1 , respectively, based on the mass and volume of the molten salt. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Possibility of high temperature superconducting phases in PdH

NASA Astrophysics Data System (ADS)

Tripodi, Paolo; Di Gioacchino, Daniele; Borelli, Rodolfo; Vinko, Jenny Darja

2003-05-01

Possible new superconducting phases with a high critical transition temperature (Tc) have been found in stable palladium-hydrogen (PdHx) samples for stoichiometric ratio x=H/Pd⩾1, in addition to the well-known low critical transition temperature (0⩽Tc⩽9) when x is in the range (0.75⩽x⩽1.00). Possible new measured superconducting phases with critical temperature in the range 51⩽Tc⩽295 K occur. This Tc varies considerably with every milli part of x when x exceeds unit. A superconducting critical current density Jc⩾6.1×104 A cm-2 has been measured at 77 K with HDC=0 T.

Wavefront image sensor chip

PubMed Central

Cui, Xiquan; Ren, Jian; Tearney, Guillermo J.; Yang, Changhuei

2010-01-01

We report the implementation of an image sensor chip, termed wavefront image sensor chip (WIS), that can measure both intensity/amplitude and phase front variations of a light wave separately and quantitatively. By monitoring the tightly confined transmitted light spots through a circular aperture grid in a high Fresnel number regime, we can measure both intensity and phase front variations with a high sampling density (11 µm) and high sensitivity (the sensitivity of normalized phase gradient measurement is 0.1 mrad under the typical working condition). By using WIS in a standard microscope, we can collect both bright-field (transmitted light intensity) and normalized phase gradient images. Our experiments further demonstrate that the normalized phase gradient images of polystyrene microspheres, unstained and stained starfish embryos, and strongly birefringent potato starch granules are improved versions of their corresponding differential interference contrast (DIC) microscope images in that they are artifact-free and quantitative. Besides phase microscopy, WIS can benefit machine recognition, object ranging, and texture assessment for a variety of applications. PMID:20721059

Bose-Einstein Condensation of Long-Lifetime Polaritons in Thermal Equilibrium.

PubMed

Sun, Yongbao; Wen, Patrick; Yoon, Yoseob; Liu, Gangqiang; Steger, Mark; Pfeiffer, Loren N; West, Ken; Snoke, David W; Nelson, Keith A

2017-01-06

The experimental realization of Bose-Einstein condensation (BEC) with atoms and quasiparticles has triggered wide exploration of macroscopic quantum effects. Microcavity polaritons are of particular interest because quantum phenomena such as BEC and superfluidity can be observed at elevated temperatures. However, polariton lifetimes are typically too short to permit thermal equilibration. This has led to debate about whether polariton condensation is intrinsically a nonequilibrium effect. Here we report the first unambiguous observation of BEC of optically trapped polaritons in thermal equilibrium in a high-Q microcavity, evidenced by equilibrium Bose-Einstein distributions over broad ranges of polariton densities and bath temperatures. With thermal equilibrium established, we verify that polariton condensation is a phase transition with a well-defined density-temperature phase diagram. The measured phase boundary agrees well with the predictions of basic quantum gas theory.

Polyamorphism in tetrahedral substances: Similarities between silicon and ice

NASA Astrophysics Data System (ADS)

Garcez, K. M. S.; Antonelli, A.

2015-07-01

Tetrahedral substances, such as silicon, water, germanium, and silica, share various unusual phase behaviors. Among them, the so-called polyamorphism, i.e., the existence of more than one amorphous form, has been intensively investigated in the last three decades. In this work, we study the metastable relations between amorphous states of silicon in a wide range of pressures, using Monte Carlo simulations. Our results indicate that the two amorphous forms of silicon at high pressures, the high density amorphous (HDA) and the very high density amorphous (VHDA), can be decompressed from high pressure (˜20 GPa) down to the tensile regime, where both convert into the same low density amorphous. Such behavior is also observed in ice. While at high pressure (˜20 GPa), HDA is less stable than VHDA, at the pressure of 10 GPa both forms exhibit similar stability. On the other hand, at much lower pressure (˜5 GPa), HDA and VHDA are no longer the most stable forms, and, upon isobaric annealing, an even less dense form of amorphous silicon emerges, the expanded high density amorphous, again in close similarity to what occurs in ice.

The Structure of Liquid and Amorphous Hafnia.

PubMed

Gallington, Leighanne C; Ghadar, Yasaman; Skinner, Lawrie B; Weber, J K Richard; Ushakov, Sergey V; Navrotsky, Alexandra; Vazquez-Mayagoitia, Alvaro; Neuefeind, Joerg C; Stan, Marius; Low, John J; Benmore, Chris J

2017-11-10

Understanding the atomic structure of amorphous solids is important in predicting and tuning their macroscopic behavior. Here, we use a combination of high-energy X-ray diffraction, neutron diffraction, and molecular dynamics simulations to benchmark the atomic interactions in the high temperature stable liquid and low-density amorphous solid states of hafnia. The diffraction results reveal an average Hf-O coordination number of ~7 exists in both the liquid and amorphous nanoparticle forms studied. The measured pair distribution functions are compared to those generated from several simulation models in the literature. We have also performed ab initio and classical molecular dynamics simulations that show density has a strong effect on the polyhedral connectivity. The liquid shows a broad distribution of Hf-Hf interactions, while the formation of low-density amorphous nanoclusters can reproduce the sharp split peak in the Hf-Hf partial pair distribution function observed in experiment. The agglomeration of amorphous nanoparticles condensed from the gas phase is associated with the formation of both edge-sharing and corner-sharing HfO 6,7 polyhedra resembling that observed in the monoclinic phase.

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

Liu, Zhen; Chen, Xuefeng; Peng, Wei

The dielectric properties and electrical hysteresis behaviors of Pb{sub 0.97}La{sub 0.02}(Zr{sub 0.58}Sn{sub 0.335}Ti{sub 0.085})O{sub 3} antiferroelectric (AFE) ceramics were investigated in this work with an emphasis on energy storage properties. Three phase transition points can be detected as temperature increases. AFE and paraelectric phases are found to coexist from 100 °C to 170 °C. The room temperature recoverable energy density is 1.37 J/cm{sup 3} at 8.6 kV/mm. With increasing temperature (from 20 °C to 100 °C) and frequency (from 0.01 to 100 Hz) under 8.6 kV/mm, the variation of recoverable energy density was less than 15%, all higher than 1.2 J/cm{sup 3}. All the corresponding energy efficiencies were nomore » less than 75%. The high energy density, high energy efficiency, and their weak dependence on temperature and frequency during a wide scope indicate that these antiferroelectric ceramics are quite promising to be used for pulse power capacitors applications.« less

A dynamic model of the radiation-belt electron phase-space density based on POLAR/HIST measurements

NASA Astrophysics Data System (ADS)

Vassiliadis, D.; Green, J. C.

2007-12-01

The response of the energetic-electron phase-space density (PSD) in the radiation belts is subject to a delicate combination of acceleration and loss processes which are strongly determined by the magnetospheric configuration and field disturbance level. We quantify the response of the density to stormtime fields as observed by the HIST detector on board POLAR. Several distinct modes are identified, characterized by peak second- and third- adiabatic invariants and peak delay time. The modes represent quasiadiabatic transport due to ring current activity; high L* (~6), day-long acceleration linked to ULF wave-particle interaction; and low-L* (~3), minute- to hour-long acceleration interpreted to be due to transient inductive fields or VLF wave-particle interaction. The net transport due to these responses is not always or everywhere diffusive, therefore we quantify the degree of departure from diffusive transport for specific storm intervals and radial ranges. Taken together the response modes comprise a dynamic, nonlinear model which allows us to better understand the historic variability of the high-energy tail of the electron distribution in the inner magnetosphere.

The Structure of Liquid and Amorphous Hafnia

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

Gallington, Leighanne; Ghadar, Yasaman; Skinner, Lawrie

Understanding the atomic structure of amorphous solids is important in predicting and tuning their macroscopic behavior. Here, we use a combination of high-energy X-ray diffraction, neutron diffraction, and molecular dynamics simulations to benchmark the atomic interactions in the high temperature stable liquid and low-density amorphous solid states of hafnia. The diffraction results reveal an average Hf–O coordination number of ~7 exists in both the liquid and amorphous nanoparticle forms studied. The measured pair distribution functions are compared to those generated from several simulation models in the literature. We have also performed ab initio and classical molecular dynamics simulations that showmore » density has a strong effect on the polyhedral connectivity. The liquid shows a broad distribution of Hf–Hf interactions, while the formation of low-density amorphous nanoclusters can reproduce the sharp split peak in the Hf–Hf partial pair distribution function observed in experiment. The agglomeration of amorphous nanoparticles condensed from the gas phase is associated with the formation of both edge-sharing and corner-sharing HfO 6,7 polyhedra resembling that observed in the monoclinic phase.« less

The Structure of Liquid and Amorphous Hafnia

DOE PAGES

Gallington, Leighanne; Ghadar, Yasaman; Skinner, Lawrie; ...

2017-11-10

Understanding the atomic structure of amorphous solids is important in predicting and tuning their macroscopic behavior. Here, we use a combination of high-energy X-ray diffraction, neutron diffraction, and molecular dynamics simulations to benchmark the atomic interactions in the high temperature stable liquid and low-density amorphous solid states of hafnia. The diffraction results reveal an average Hf–O coordination number of ~7 exists in both the liquid and amorphous nanoparticle forms studied. The measured pair distribution functions are compared to those generated from several simulation models in the literature. We have also performed ab initio and classical molecular dynamics simulations that showmore » density has a strong effect on the polyhedral connectivity. The liquid shows a broad distribution of Hf–Hf interactions, while the formation of low-density amorphous nanoclusters can reproduce the sharp split peak in the Hf–Hf partial pair distribution function observed in experiment. The agglomeration of amorphous nanoparticles condensed from the gas phase is associated with the formation of both edge-sharing and corner-sharing HfO 6,7 polyhedra resembling that observed in the monoclinic phase.« less

High impact strength polymers having novel nano-structures produced via reactive extrusion

NASA Astrophysics Data System (ADS)

Tortorella, Nathan Fraser

A major focus of scientists and engineers over the last century has been to increase the impact strength and therefore reduce the brittleness of materials. By altering and adding energy absorption mechanisms, brittle failure can be averted. Isotactic polypropylene (PP) is the focus of this dissertation because it is an extremely low cost, high volume, versatile plastic but behaves in a brittle manner at or below room temperature or in a notched state. Early work on impact modification of polypropylene focused on blending energy-absorbing low density elastomers and rubbers. These binary blends all had a common problem---an increase in impact strength was paralleled by a significant decrease in both elastic modulus and yield stress. Reactive extrusion processing has allowed the in-situ compatibilization of isotactic polypropylene and metallocene-catalyzed ethylene-octene copolymers (EOCs). This process involves combining both the comonomer and vector fluid approaches to grafting polyolefins. Styrene monomer and a multifunctional acrylate monomer undergo peroxide-induced copolymerization and grafting in the presence of both PP and EOC. This results in a phase separated alloy with an impact strength over 13 times that of pure polypropylene and double that of the physical blend. There is also a significant improvement in stress-strain performance when comparing the alloys to physical blend counterparts. Many researchers have categorized the necessary components to toughening polypropylene as pertaining to the amorphous phase. The alloys described in this dissertation meet the criteria put forth by these researchers, namely low density, crystallinity, and modulus of the elastomer phase, sub-micron particle diameter, close inter-particle distance, and a high degree of entanglements of both the PP matrix phase and EOC minor phase. But many people neglect to study the crystalline state of impact modified PP in conjunction with the amorphous phase. This work shows that the typical 10-100 mum diameter spherulitic structures found in pure PP are not present in the alloys. In fact, the spherulites are less than a micron in diameter, are uniformly distributed throughout the sample, and crystallize at much higher temperatures. SEM images, when coupled with DSC and XRD, reveal the presence of a high number of small lamellar crystals composed of a unique highly dense cross-hatched structure. Thus, impact strength and stiffness can be simultaneously improved by controlling the size and cross-hatch density of the lamellar crystals and applying phase transformation toughening concepts.

Quasi-steady-state high confinement at high density by lower hybrid waves in the HT-6M tokamak

NASA Astrophysics Data System (ADS)

Li, Jiangang; Luo, Jiarong; Wan, Baonian; Wan, Yuanxi; Liu, Yuexiu; Yin, Finxian; Gong, Xianzu; Li, Duochuan; Liu, Shen; Jie, Yinxian; Gao, Xiang; Luo, Nancang; Jiang, Jiaguang; Han, Yuqing; Wu, Mingjun; Wang, Guangxin; Liang, Yunfeng; Yao, Ailing; Wu, Zhenwei; Zhang, Shouyin; Mao, Jiansan; Cui, Lingzhuo; Xu, Yuhong; Meng, Yuedong; Zhao, Junyu; Ding, Bolong; Li, Guiming; Xu, Xiangdong; Lin, Bili; Wei, Meishen; Yie, Weiwei

2000-03-01

The quasi-steady-state (tH > 10 τEoh) H mode with high plasma density (ELMy and ELM free) was routinely obtained by the injection of lower hybrid wave heating and lower hybrid current drive with a power threshold of 50 kW. The antenna spectrum was scanned over a wide range and τE was about 1.5-2.0 times that of the L mode scaling. The density increases by almost a factor of 3 during the H phase by gas puffing and the particle confinement time increases by more than this factor even with a line averaged density of 3 × 1013cm-3, which is about 60% of the Greenwald density limit. A hollow Te profile was achieved in the high density case. The experimental results reproducibly show a good agreement with the theoretical prediction for the LH off-axis power deposition profile. When a certain fraction of the plasma current is non-inductively sustained by the LH waves, a hollow current density profile is formed and the magnetic shear is reversed. This off-axis hollow profile and enhanced confinement improvement are attributed to a strong reduction of the electron thermal diffusivity in the reversed shear region.

Changes of buoyant density during the S-phase of the cell cycle. Direct evidence demonstrated in acute myeloid leukemia by flowcytometry.

PubMed

Daenen, S; Huiges, W; Modderman, E; Halie, M R

1993-01-01

Studies with synchronized or exponentially growing bacteria and mammalian cell lines are not able to demonstrate small changes in buoyant density during the cell cycle. Flowcytometric analysis of density separated acute myeloid leukemia cells, a system not dependent on time-related variables, shows that the cellular buoyant density increases slightly with up to 0.008 g/ml during the S-phase, at least in cryo-preserved cells used in this study. This contrasts with the generally accepted belief that S-phase cells have a lower or constant buoyant density. A practical implication is that separation of cell (sub)populations based on differences in buoyant density could be flawed to the extent that these populations contain S-phase cells.

Vapor-liquid coexistence of the Stockmayer fluid in nonuniform external fields.

PubMed

Samin, Sela; Tsori, Yoav; Holm, Christian

2013-05-01

We investigate the structure and phase behavior of the Stockmayer fluid in the presence of nonuniform electric fields using molecular simulation. We find that an initially homogeneous vapor phase undergoes a local phase separation in a nonuniform field due to the combined effect of the field gradient and the fluid vapor-liquid equilibrium. This results in a high-density fluid condensing in the strong field region. The system polarization exhibits a strong field dependence due to the fluid condensation.

What does C II lambda 2325 A emission tell us about chromospheres of red supergiants? - A critical test using Zeta Aurigae-type K supergiants

NASA Technical Reports Server (NTRS)

Schroeder, K.-P.; Reimers, D.; Carpenter, K. G.; Brown, A.

1988-01-01

The limitations of the Carpenter et al. (1985) C II intercombination multiplet method of determining the density and geometric extent of red giant chromospheres are presently tested through observation of the C II 2325 A emission of two K-type supergiants whose empirical model chromospheres have been derived by high-resolution IUE observations at eclipse phases. While the observed C II emission fluxes are well reproduced, much of this emission originates in the high-density lower chromosphere.

X-Ray Wind Tomography of IGR J17252-3616

NASA Astrophysics Data System (ADS)

Manousakis, Antonios; Walter, Roland

2010-07-01

IGR J17252-3616, a highly absorbed High Mass X-ray Binary (HMXB) with Hydrogen column density NH~(2-4)×1023 cm-2, has been observed with XMM-Newton for about one month. Observations were scheduled in order to cover the orbital-phase space as much as possible. IGR J17252-3616 shows a varying column density NH and Fe Kα line when fit with simple phenomenological models. A refined orbital solution can be derived. Spectral timing analysis allows derivation of the wind properties of the massive star.

A Design Study of Onboard Navigation and Guidance During Aerocapture at Mars. M.S. Thesis

NASA Technical Reports Server (NTRS)

Fuhry, Douglas Paul

1988-01-01

The navigation and guidance of a high lift-to-drag ratio sample return vehicle during aerocapture at Mars are investigated. Emphasis is placed on integrated systems design, with guidance algorithm synthesis and analysis based on vehicle state and atmospheric density uncertainty estimates provided by the navigation system. The latter utilizes a Kalman filter for state vector estimation, with useful update information obtained through radar altimeter measurements and density altitude measurements based on IMU-measured drag acceleration. A three-phase guidance algorithm, featuring constant bank numeric predictor/corrector atmospheric capture and exit phases and an extended constant altitude cruise phase, is developed to provide controlled capture and depletion of orbital energy, orbital plane control, and exit apoapsis control. Integrated navigation and guidance systems performance are analyzed using a four degree-of-freedom computer simulation. The simulation environment includes an atmospheric density model with spatially correlated perturbations to provide realistic variations over the vehicle trajectory. Navigation filter initial conditions for the analysis are based on planetary approach optical navigation results. Results from a selection of test cases are presented to give insight into systems performance.

Design of an Fiber-Coupled Laser Heterodyne Interferometer for the FLARE

NASA Astrophysics Data System (ADS)

Frank, Samuel; Yoo, Jongsoo; Ji, Hantao; Jara-Almonte, Jon

2016-10-01

The FLARE (Facility for Laboratory Reconnection Experiments), which is currently under construction at PPPL, requires a complete set of laboratory plasma diagnostics. The Langmuir probes that will be used in the device to gather local density data require a reliable interferometer system to serve as baseline for density measurement calibration. A fully fiber-coupled infrared laser heterodyne interferometer has been designed in order to serve as the primary line-integrated electron density diagnostic. Thanks to advances in the communications industry many fiber optic devices and phase detection methods have advanced significantly becoming increasingly reliable and inexpensive. Fully fiber coupling a plasma interferometer greatly simplifies alignment procedures needed since the only free space laser path needing alignment is through the plasma itself. Fiber-coupling also provides significant resistance to vibrational noise, a common problem in plasma interferometry systems. This device also uses a greatly simplified phase detection scheme in which chips, originally developed for the communications industry, capable of directly detecting the phase shift of a signal with high time resolution. The design and initial performance of the system will be discussed.

[Effect of conservation tillage on weeds in a rotation system on the Loess Plateau of eastern Gansu, Northwest China].

PubMed

Zhao, Yu-xin; Lu, Jiao-yun; Yang, Hui-min

2015-04-01

A field study was conducted to investigate the influences of no-tillage, stubble retention and crop type on weed density, species composition and community feature in a rotation system (winter wheat-common vetch-maize) established 12 years ago on the Loess Plateau of eastern Gansu. This study showed that the weed species composition, density and community feature varied with the change of crop phases. No-tillage practice increased the weed density at maize phase, while rotation with common vetch decreased the density in the no-tillage field. Stubble retention reduced the weed density under maize phase and the lowest density was observed in the no-tillage plus stubble retention field. No-tillage practice significantly increased the weed species diversity under winter wheat phase and decreased the diversity under common vetch phase. At maize phase, a greater species diversity index was observed in the no-tillage field. These results suggested that no-tillage practice and stubble retention possibly suppress specific weeds with the presence of some crops and crop rotation is a vital way to controlling weeds in a farming system.

Differences observed in the surface morphology and microstructure of Ni-Fe-Cu ternary thin films electrochemically deposited at low and high applied current densities

NASA Astrophysics Data System (ADS)

Sarac, U.; Kaya, M.; Baykul, M. C.

2016-10-01

In this research, nanocrystalline Ni-Fe-Cu ternary thin films using electrochemical deposition technique were produced at low and high applied current densities onto Indium Tin Oxide (ITO) coated conducting glass substrates. Change of surface morphology and microstructural properties of the films were investigated. Energy dispersive X-ray spectroscopy (EDX) measurements showed that the Ni-Fe-Cu ternary thin films exhibit anomalous codeposition behaviour during the electrochemical deposition process. From the X-ray diffraction (XRD) analyses, it was revealed that there are two segregated phases such as Cu- rich and Ni-rich within the films. The crystallographic structure of the films was face-centered cubic (FCC). It was also observed that the film has lower lattice micro-strain and higher texture degree at high applied current density. Scanning electron microscopy (SEM) studies revealed that the films have rounded shape particles on the base part and cauliflower-like structures on the upper part. The film electrodeposited at high current density had considerably smaller rounded shape particles and cauliflower-like structures. From the atomic force microscopy (AFM) analyses, it was shown that the film deposited at high current density has smaller particle size and surface roughness than the film grown at low current density.

BiFeO3-doped (K0.5,Na0.5)(Mn0.005,Nb0.995)O3 ferroelectric thin film capacitors for high energy density storage applications

NASA Astrophysics Data System (ADS)

Won, Sung Sik; Kawahara, Masami; Kuhn, Lindsay; Venugopal, Vineeth; Kwak, Jiyeon; Kim, Ill Won; Kingon, Angus I.; Kim, Seung-Hyun

2017-04-01

Environmentally benign lead-free ferroelectric (K0.5,Na0.5)(Mn0.005,Nb0.995)O3 (KNMN) thin film capacitors with a small concentration of a BiFeO3 (BF) dopant were prepared by a cost effective chemical solution deposition method for high energy density storage device applications. 6 mol. % BF-doped KNMN thin films showed very slim hysteresis loops with high maximum and near-zero remanent polarization values due to a phase transition from the orthorhombic structure to the pseudo-cubic structure. Increasing the electric field up to 2 MV/cm, the total energy storage density (Jtotal), the effective recoverable energy density (Jeff), and the energy conversion efficiency (η) of lead-free KNMN-BF thin film capacitors were 31.0 J/cm3, 28.0 J/cm3, and 90.3%, respectively. In addition, these thin film capacitors exhibited a fast discharge time of a few μs and a high temperature stability up to 200 °C, proving their strong potential for high energy density storage and conversion applications.

Mesoscale Modeling of Kinetic Phase Behaviors in Mg-B-H (Subcontract Report)

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

Yu, H.; Thornton, K.; Wood, B. C.

Storage of hydrogen on board vehicles is one of the critical enabling technologies for creating hydrogenfueled transportation systems that can reduce oil dependency and mitigate the long-term effects of fossil fuels on climate change. Stakeholders in developing hydrogen infrastructure are currently focused on highpressure storage at 350 bar and 700 bar, in part because no viable solid-phase storage material has emerged. Nevertheless, solid-state materials, including high-density hydrides, remain of interest because of their unique potential to meet all DOE targets and deliver hydrogen at lower pressures and higher on-board densities. A successful solution would significantly reduce costs and ensure themore » economic viability of a U.S. hydrogen infrastructure. The Mg(BH 4) 2-MgB 2 system represents a highly promising solution because of its reasonable reaction enthalpy, high intrinsic capacity, and demonstrated reversibility, yet suffers from poor reaction kinetics. This subcontract aims to deliver a phase-field model for the kinetics of the evolution of the relevant phases within the Mg-B-H system during hydrogenation and dehydrogenation. This model will be used within a broader theory, synthesis, and characterization framework to study the properties of geometry-selected nanoparticles of pristine and doped MgB 2/Mg(BH 4) 2 with two aims: (1) understand the intrinsic limitations in (de)hydrogenation; (2) devise strategies for improving thermodynamics and kinetics through nanostructuring.« less

Quasar outflows and AGN feedback in the extreme UV: HST/COS observations of HE 0238-1904

NASA Astrophysics Data System (ADS)

Arav, Nahum; Borguet, Benoit; Chamberlain, Carter; Edmonds, Doug; Danforth, Charles

2013-12-01

Spectroscopic observations of quasar outflows at rest-frame 500-1000 Å have immense diagnostic power. We present analyses of such data, where absorption troughs from O IV and O IV* allow us to obtain the distance of the outflows from the AGN and troughs from Ne VIII and Mg X reveal the warm absorber phase of the outflow. Their inferred column densities, combined with those of O VI, N IV and H I, yield two important results. (1) The outflow shows two ionization phases, where the high-ionization phase carries the bulk of the material. This is similar to the situation seen in X-ray warm absorber studies. Furthermore, the low-ionization phase is inferred to have a volume filling factor of 10-5-10-6. (2) We determine a distance of 3000 pc from the outflow to the central source using the O IV*/O IV column density ratio and the knowledge of the ionization parameter. Since this is a typical high-ionization outflow, we can determine robust values for the outflow's mass flux and kinetic luminosity of 40 M⊙ yr-1 and 1045 erg s-1, respectively, where the latter is roughly equal to 1 per cent of the bolometric luminosity. Such a large kinetic luminosity and mass flow rate measured in a typical high-ionization wind suggest that quasar outflows are a major contributor to AGN feedback mechanisms.

High energy density physics effects predicted in simulations of the CERN HiRadMat beam-target interaction experiments

NASA Astrophysics Data System (ADS)

Tahir, N. A.; Burkart, F.; Schmidt, R.; Shutov, A.; Wollmann, D.; Piriz, A. R.

2016-12-01

Experiments have been done at the CERN HiRadMat (High Radiation to Materials) facility in which large cylindrical copper targets were irradiated with 440 GeV proton beam generated by the Super Proton Synchrotron (SPS). The primary purpose of these experiments was to confirm the existence of hydrodynamic tunneling of ultra-relativistic protons and their hadronic shower in solid materials, that was predicted by previous numerical simulations. The experimental measurements have shown very good agreement with the simulation results. This provides confidence in our simulations of the interaction of the 7 TeV LHC (Large Hadron Collider) protons and the 50 TeV Future Circular Collider (FCC) protons with solid materials, respectively. This work is important from the machine protection point of view. The numerical simulations have also shown that in the HiRadMat experiments, a significant part of thetarget material is be converted into different phases of High Energy Density (HED) matter, including two-phase solid-liquid mixture, expanded as well as compressed hot liquid phases, two-phase liquid-gas mixture and gaseous state. The HiRadMat facility is therefore a unique ion beam facility worldwide that is currently available for studying the thermophysical properties of HED matter. In the present paper we discuss the numerical simulation results and present a comparison with the experimental measurements.

Chronology and pyroclastic stratigraphy of the May 18, 1980, eruption of Mount St. Helens, Washington

NASA Technical Reports Server (NTRS)

Criswell, C. William

1987-01-01

The eruption of Mount St. Helens on May 18, 1980 can be subdivided into six phases: the paroxysmal phase I, the early Plinian phase II, the early ash flow phase III, the climactic phase IV, the late ash flow phase V, and phase VI, the activity of which consisted of a low-energy ash plume. These phases are correlated with stratigraphic subunits of ash-fall tephra and pyroclastic flow deposits. Sustained vertical discharge of phase II produced evolved dacite with high S/Cl ratios. Ash flow activity of phase III is attributed to decreases in gas content, indicated by reduced S/Cl ratios and increased clast density of the less evolved gray pumice. Climactic events are attributed to vent clearing and exhaustion of the evolved dacite.

Use of silicon in liquid sintered silicon nitrides and sialons

DOEpatents

Raj, Rishi; Baik, Sunggi

1984-12-11

This invention relates to the production of improved high density nitrogen based ceramics by liquid-phase densification of silicon nitride or a compound of silicon-nitrogen-oxygen-metal, e.g. a sialon. In the process and compositions of the invention minor amounts of finely divided silicon are employed together with the conventional liquid phase producing additives to enhance the densification of the resultant ceramic.

Electronic and thermoelectric analysis of phases in the In 2O 3(ZnO) k system

DOE PAGES

Hopper, E. Mitchell; Zhu, Qimin; Song, Jung-Hwan; ...

2011-01-01

The high-temperature electrical conductivity and thermopower of several compounds in the In 2O 3(ZnO) k system (k = 3, 5, 7, and 9) were measured, and the band structures of the k = 1, 2, and 3 structures were predicted based on first-principles calculations. These phases exhibit highly dispersed conduction bands consistent with transparent conducting oxide behavior. Jonker plots (Seebeck coefficient vs. natural logarithm of conductivity) were used to obtain the product of the density of states and mobility for these phases, which were related to the maximum achievable power factor (thermopower squared times conductivity) for each phase by Ioffemore » analysis (maximum power factor vs. Jonker plot intercept). With the exception of the k = 9 phase, all other phases were found to have maximum predicted power factors comparable to other thermoelectric oxides if suitably doped.« less

Improved positive electrode materials for lithium-ion batteries: Exploring the high specific capacity of lithium cobalt dioxide and the high rate capability of lithium iron phosphate

NASA Astrophysics Data System (ADS)

Chen, Zhaohui

During the past decade, the search for better electrode materials for Li-ion batteries has been of a great commercial interest, especially since Li-ion technology has become a major rechargeable battery technology with a market value of $3 billion US dollars per year. This thesis focuses on improving two positive electrode materials: one is a traditional positive electrode material--LiCoO2; the other is a new positive electrode material--LiFePO 4. Cho et al. reported that coating LiCoO2 with oxides can improve the capacity retention of LiCoO2 cycled to 4.4 V. The study of coatings in this thesis confirms this effect and shows that further improvement (30% higher energy density than that used in a commercial cell with excellent capacity retention) can be obtained. An in-situ XRD study proves that the mechanism of the improvement in capacity retention by coating proposed by Cho et al. is incorrect. Further experiments identify the suppression of impedance growth in the cell as the key reason for the improvement caused by coating. Based on this, other methods to improve the energy density of LiCoO2, without sacrificing capacity retention, are also developed. Using an XRD study, the structure of the phase between the O3-phase Li 1-xCoO2 (x > 0.5) and the O1 phase CoO2 was measured experimentally for the first time. XRD results confirmed the prediction of an H1-3 phase by Ceder's group. Apparently, because of the structural changes between the O3 phase and the H1-3 phase, good capacity retention cannot be attained for cycling LiCoO2 to 4.6 V with respect to Li metal. An effort was also made to reduce the carbon content in a LiFePO 4/C composite without sacrificing its rate capability. It was found that about 3% carbon by weight maintains both a good rate capability and a high pellet density for the composite.

Annular vortex merging processes in non-neutral electron plasmas

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

Kaga, Chikato, E-mail: d146073@hiroshima-u.ac.jp; Ito, Kiyokazu; Higaki, Hiroyuki

2015-06-29

Non-neutral electron plasmas in a uniform magnetic field are investigated experimentally as a two dimensional (2D) fluid. Previously, it was reported that 2D phase space volume increases during a vortex merging process with viscosity. However, the measurement was restricted to a plasma with a high density. Here, an alternative method is introduced to evaluate a similar process for a plasma with a low density.

Processing of solid solution, mixed uranium/refractory metal carbides for advanced space nuclear power and propulsion systems

NASA Astrophysics Data System (ADS)

Knight, Travis Warren

Nuclear thermal propulsion (NTP) and space nuclear power are two enabling technologies for the manned exploration of space and the development of research outposts in space and on other planets such as Mars. Advanced carbide nuclear fuels have been proposed for application in space nuclear power and propulsion systems. This study examined the processing technologies and optimal parameters necessary to fabricate samples of single phase, solid solution, mixed uranium/refractory metal carbides. In particular, the pseudo-ternary carbide, UC-ZrC-NbC, system was examined with uranium metal mole fractions of 5% and 10% and corresponding uranium densities of 0.8 to 1.8 gU/cc. Efforts were directed to those methods that could produce simple geometry fuel elements or wafers such as those used to fabricate a Square Lattice Honeycomb (SLHC) fuel element and reactor core. Methods of cold uniaxial pressing, sintering by induction heating, and hot pressing by self-resistance heating were investigated. Solid solution, high density (low porosity) samples greater than 95% TD were processed by cold pressing at 150 MPa and sintering above 2600 K for times longer than 90 min. Some impurity oxide phases were noted in some samples attributed to residual gases in the furnace during processing. Also, some samples noted secondary phases of carbon and UC2 due to some hyperstoichiometric powder mixtures having carbon-to-metal ratios greater than one. In all, 33 mixed carbide samples were processed and analyzed with half bearing uranium as ternary carbides of UC-ZrC-NbC. Scanning electron microscopy, x-ray diffraction, and density measurements were used to characterize samples. Samples were processed from powders of the refractory mono-carbides and UC/UC 2 or from powders of uranium hydride (UH3), graphite, and refractory metal carbides to produce hypostoichiometric mixed carbides. Samples processed from the constituent carbide powders and sintered at temperatures above the melting point of UC showed signs of liquid phase sintering and were shown to be largely solid solutions. Pre-compaction of mixed carbide powders prior to sintering was shown to be necessary to achieve high densities. Hypostoichiometric, samples processed at 2500 K exhibited only the initial stage of sintering and solid solution formation. Based on these findings, a suggested processing methodology is proposed for producing high density, solid solution, mixed carbide fuels. Pseudo-binary, refractory carbide samples hot pressed at 3100 K and 6 MPa showed comparable densities (approximately 85% of the theoretical value) to samples processed by cold pressing and sintering at temperatures of 2800 K.

p-type doping efficiency in CdTe: Influence of second phase formation

NASA Astrophysics Data System (ADS)

McCoy, Jedidiah J.; Swain, Santosh K.; Sieber, John R.; Diercks, David R.; Gorman, Brian P.; Lynn, Kelvin G.

2018-04-01

Cadmium telluride (CdTe) high purity, bulk, crystal ingots doped with phosphorus were grown by the vertical Bridgman melt growth technique to understand and improve dopant solubility and activation. Large net carrier densities have been reproducibly obtained from as-grown ingots, indicating successful incorporation of dopants into the lattice. However, net carrier density values are orders of magnitude lower than the solubility of P in CdTe as reported in literature, 1018/cm3 to 1019/cm3 [J. H. Greenberg, J. Cryst. Growth 161, 1-11 (1996) and R. B. Hall and H. H. Woodbury, J. Appl. Phys. 39(12), 5361-5365 (1968)], despite comparable starting charge dopant densities. Growth conditions, such as melt stoichiometry and post growth cooling, are shown to have significant impacts on dopant solubility. This study demonstrates that a significant portion of the dopant becomes incorporated into second phase defects as compounds of cadmium and phosphorous, such as cadmium phosphide, which inhibits dopant incorporation into the lattice and limits maximum attainable net carrier density in bulk crystals. Here, we present an extensive study on the characteristics of these second phase defects in relation to their composition and formation kinetics while providing a pathway to minimize their formation and enhance solubility.

Single-crystal structure determination of hydrous minerals and insights into a wet deep lower mantle

NASA Astrophysics Data System (ADS)

Zhang, L.; Yuan, H.; Meng, Y.; Popov, D.

2017-12-01

Water enters the Earth's interior through hydrated subducting slabs. How deep within the lower mantle (670-2900 km depth) can water be transported down and stored depends upon the availability of hydrous phases that is thermodynamically stable under the high P-T conditions and have a sufficiently high density to sink through the lower mantle. Phase H [MgSiH2O4] (1) and the δ-AlOOH (2) form solid solutions that are stable in the deep lower mantle (3), but the solid solution phase is 10% lighter than the corresponding lower mantle. Recent experimental discoveries of the pyrite (Py) structured FeO2 and FeOOH (4-6) suggest that these Fe-enriched phases can be transported to the deepest lower mantle owing to their high density. We have further discovered a very dense hydrous phase in (Fe,Al)OOH with a previously unknown hexagonal symmetry and this phase is stable relative to the Py-phase under extreme high P-T conditions in the deep lower mantle. Through in situ multigrain analysis (7) and single-crystal structure determination of the hydrous minerals at P-Tconditions of the deep lower mantle, we can obtain detailed structure information of the hydrous phases and therefore provide insights into the hydration mechanism in the deep lower mantle. These highly stable hydrous minerals extend the water cycle at least to the depth of 2900 km. 1. M. Nishi et al., Nature Geoscience 7, 224-227 (2014). 2. E. Ohtani, K. Litasov, A. Suzuki, T. Kondo, Geophysical Research Letters 28, 3991-3993 (2001). 3. I. Ohira et al., Earth and Planetary Science Letters 401, 12-17 (2014). 4. Q. Hu et al., Proceedings of the National Academy of Sciences of the United States of America 114, 1498-1501 (2017). 5. M. Nishi, Y. Kuwayama, J. Tsuchiya, T. Tsuchiya, Nature 547, 205-208 (2017). 6. Q. Hu et al., Nature 534, 241-244 (2016). 7. L. Zhang et al., American Mineralogist 101, 231-234 (2016).

Fabrication and characterization of fine ceramic based on alumina, bentonite, and glass bead

NASA Astrophysics Data System (ADS)

Sebayang, P.; Nurdina; Simbolon, S.; Kurniawan, C.; Yunus, M.; Setiadi, E. A.; Sitorus, Z.

2018-03-01

Fabrication of fine ceramics based on alumina, bentonite and glass bead has been carried out by powder metallurgy. The preparation of powder has been performed using High Energy Milling (HEM) with wet milling process and using toluene as medium for 2 hours. The powder milling result was dried in oven at 100 °C for 24 hours. After that, the powder was compacted into pellet by using hydraulic press with 80 kgf/cm2 pressure at room temperature. Then, the pellet was sintered at 900 °C for 4 hours. Materials characterization such as physical properties (true density, bulk density, porosity, and water absorption), average particle diameter, hardness, microstructure and phase were measured by Archimedes method, Particle Size Analyzer (PSA), Hardness Vickers (HV), Scanning Electron Microscope (SEM-EDX) and X-Ray Diffraction (XRD). From the result, the optimum condition is sample D (with addition of 30 wt.% γ-Al2O3) with sintering temperature of 900 °C for 4 hours. At this condition, these properties were measured: average particle diameter of 4.27 μm, true density of 2.32 g/cm3, porosity of 5.57%, water absorption of 2.46%, bulk density of 2.39 g/cm3, and hardness of 632 HV. The fine ceramic has four phases with albite (Al2NaO8Si3) and quartz (SiO2) as dominant phases and corundum (Al2O3) and nepheline (AlNaO4Si) as minor phases.

The Boson peak in confined water: An experimental investigation of the liquid-liquid phase transition hypothesis

DOE PAGES

Mallamace, Francesco; Corsaro, Carmelo; Mallamace, Domenico; ...

2015-12-05

The Boson peak (BP) of deeply cooled confined water is studied by using inelastic neutron scattering (INS) in a large interval of the (P, T) phase plane. By taking into account the different behavior of such a collective vibrational mode in both strong and fragile glasses as well as in glass-forming materials, we were able to determine the Widom line that characterizes supercooled bulk water within the frame of the liquid-liquid phase transition (LLPT) hypothesis. The peak frequency and width of the BP correlated with the water polymorphism of the LLPT scenario, allowing us to distinguish the “low-density liquid” (LDL)more » and “high-density liquid” (HDL) phases in deeply cooled bulk water.Moreover, the BP properties afford a further confirmation of theWidom line temperature T W as the (P, T) locus in which the local structure of water transforms from a predominately LDL form to a predominately HDL form.« less

Chiral phase structure of three flavor QCD at vanishing baryon number density

DOE PAGES

Bazavov, A.; Ding, H. -T.; Hegde, P.; ...

2017-04-12

In this paper, we investigate the phase structure of QCD with three degenerate quark flavors as a function of the degenerate quark masses at vanishing baryon number density. We use the highly improved staggered quarks on lattices with temporal extent N τ = 6 and perform calculations for six values of quark masses, which in the continuum limit correspond to pion masses in the range 80 MeV ≲ m π ≲ 230 MeV. By analyzing the volume and temperature dependence of the chiral condensate and chiral susceptibility, we find no direct evidence for a first-order phase transition in this rangemore » of pion mass values. Finally, relying on the universal scaling behaviors of the chiral observables near an anticipated chiral critical point, we estimate an upper bound for the critical pion mass m c π ≲ 50 MeV, below which a region of first-order chiral phase transition is favored.« less

The temperature and density structures of an X-ray flare during the decay phase. [Skylab observations

NASA Technical Reports Server (NTRS)

Silk, J. K.; Kahler, S. W.; Krieger, A. S.; Vaiana, G. S.

1976-01-01

The X-ray flare of 9 August 1973 was characterized by a spatially small kernel structure which persisted throughout its duration. The decay phase of this flare was observed in the objective grating mode of the X-ray telescope aboard the Skylab. Data analysis was carried out by scanning the images with a microdensitometer, converting the density arrays to energy using laboratory film calibration data and taking cross sections of the energy images. The 9 August flare shows two distinct periods in its decay phase, involving both cooling and material loss. The objective grating observations reveal that the two phenomena are separated in time. During the earlier phase of the flare decay, the distribution of emission measure as a function of temperature is changing, the high temperature component of the distribution being depleted relative to the cooler body of plasma. As the decay continues, the emission measure distribution stabilizes and the flux diminishes as the amount of material at X-ray emitting temperatures decreases.

Fabrication and secondary-phase crystallization of rare-earth disilicate-silicon nitride ceramics

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

Cinibulk, M.K.; Thomas, G.; Johnson, S.M.

1992-08-01

In this paper, the fabrication and intergranular-phase devitrification of silicon nitride densified with rare-earth (RE) oxide additives is investigated. The additions of the oxides of Sm, Gd, Dy, Er, and Yb, having high melting points and behaving similarly to Y[sub 2]O[sub 3], were compositionally controlled to tailor a microstructure with a crystalline secondary phase of RE[sub 2]Si[sub 2]O[sub 7]. The lanthanide oxides were found to be ass effective as Y[sub 2]O[sub 3] in densifying Si[sub 3]N[sub 4], resulting in identical microstructures and densities of 98-99% of theoretical density. The crystallization behavior of all six disilicates was similar, characterized by amore » limited nucleation and rapid growth mechanism resulting in large single crystals. Complete crystallization of the intergranular phase was obtained with the exception of a thin residual amorphous film which was observed at interfaces and believed to be rich in impurities, the cause of incomplete devitrification.« less

Transport Properties of the Nuclear Pasta Phase with Quantum Molecular Dynamics

NASA Astrophysics Data System (ADS)

Nandi, Rana; Schramm, Stefan

2018-01-01

We study the transport properties of nuclear pasta for a wide range of density, temperature, and proton fractions, relevant for different astrophysical scenarios adopting a quantum molecular dynamics model. In particular, we estimate the values of shear viscosity as well as electrical and thermal conductivities by calculating the static structure factor S(q) using simulation data. In the density and temperature range where the pasta phase appears, the static structure factor shows irregular behavior. The presence of a slab phase greatly enhances the peak in S(q). However, the effect of irregularities in S(q) on the transport coefficients is not very dramatic. The values of all three transport coefficients are found to have the same orders of magnitude as found in theoretical calculations for the inner crust matter of neutron stars without the pasta phase; therefore, the values are in contrast to earlier speculations that a pasta layer might be highly resistive, both thermally and electrically.

The Boson peak in confined water: An experimental investigation of the liquid-liquid phase transition hypothesis

NASA Astrophysics Data System (ADS)

Mallamace, Francesco; Corsaro, Carmelo; Mallamace, Domenico; Wang, Zhe; Chen, Sow-Hsin

2015-10-01

The Boson peak (BP) of deeply cooled confined water is studied by using inelastic neutron scattering (INS) in a large interval of the ( P, T) phase plane. By taking into account the different behavior of such a collective vibrational mode in both strong and fragile glasses as well as in glass-forming materials, we were able to determine the Widom line that characterizes supercooled bulk water within the frame of the liquid-liquid phase transition (LLPT) hypothesis. The peak frequency and width of the BP correlated with the water polymorphism of the LLPT scenario, allowing us to distinguish the "low-density liquid" (LDL) and "high-density liquid" (HDL) phases in deeply cooled bulk water.Moreover, the BP properties afford a further confirmation of theWidom line temperature T W as the ( P, T) locus in which the local structure of water transforms from a predominately LDL form to a predominately HDL form.

Hyperpolarized xenon NMR and MRI signal amplification by gas extraction

PubMed Central

Zhou, Xin; Graziani, Dominic; Pines, Alexander

2009-01-01

A method is reported for enhancing the sensitivity of NMR of dissolved xenon by detecting the signal after extraction to the gas phase. We demonstrate hyperpolarized xenon signal amplification by gas extraction (Hyper-SAGE) in both NMR spectra and magnetic resonance images with time-of-flight information. Hyper-SAGE takes advantage of a change in physical phase to increase the density of polarized gas in the detection coil. At equilibrium, the concentration of gas-phase xenon is ≈10 times higher than that of the dissolved-phase gas. After extraction the xenon density can be further increased by several orders of magnitude by compression and/or liquefaction. Additionally, being a remote detection technique, the Hyper-SAGE effect is further enhanced in situations where the sample of interest would occupy only a small proportion of the traditional NMR receiver. Coupled with targeted xenon biosensors, Hyper-SAGE offers another path to highly sensitive molecular imaging of specific cell markers by detection of exhaled xenon gas. PMID:19805177

Phase imaging using highly coherent X-rays: radiography, tomography, diffraction topography.

PubMed

Baruchel, J; Cloetens, P; Härtwig, J; Ludwig, W; Mancini, L; Pernot, P; Schlenker, M

2000-05-01

Several hard X-rays imaging techniques greatly benefit from the coherence of the beams delivered by the modern synchrotron radiation sources. This is illustrated with examples recorded on the 'long' (145 m) ID19 'imaging' beamline of the ESRF. Phase imaging is directly related to the small angular size of the source as seen from one point of the sample ('effective divergence' approximately microradians). When using the ;propagation' technique, phase radiography and tomography are instrumentally very simple. They are often used in the 'edge detection' regime, where the jumps of density are clearly observed. The in situ damage assessment of micro-heterogeneous materials is one example of the many applications. Recently a more quantitative approach has been developed, which provides a three-dimensional density mapping of the sample ('holotomography'). The combination of diffraction topography and phase-contrast imaging constitutes a powerful tool. The observation of holes of discrete sizes in quasicrystals, and the investigation of poled ferroelectric materials, result from this combination.

The Boson peak in confined water: An experimental investigation of the liquid-liquid phase transition hypothesis

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

Mallamace, Francesco; Corsaro, Carmelo; Mallamace, Domenico

The Boson peak (BP) of deeply cooled confined water is studied by using inelastic neutron scattering (INS) in a large interval of the (P, T) phase plane. By taking into account the different behavior of such a collective vibrational mode in both strong and fragile glasses as well as in glass-forming materials, we were able to determine the Widom line that characterizes supercooled bulk water within the frame of the liquid-liquid phase transition (LLPT) hypothesis. The peak frequency and width of the BP correlated with the water polymorphism of the LLPT scenario, allowing us to distinguish the “low-density liquid” (LDL)more » and “high-density liquid” (HDL) phases in deeply cooled bulk water.Moreover, the BP properties afford a further confirmation of theWidom line temperature T W as the (P, T) locus in which the local structure of water transforms from a predominately LDL form to a predominately HDL form.« less

Hanford's Simulated Low Activity Waste Cast Stone Processing

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

Kim, Young

2013-08-20

Cast Stone is undergoing evaluation as the supplemental treatment technology for Hanford’s (Washington) high activity waste (HAW) and low activity waste (LAW). This report will only cover the LAW Cast Stone. The programs used for this simulated Cast Stone were gradient density change, compressive strength, and salt waste form phase identification. Gradient density changes show a favorable outcome by showing uniformity even though it was hypothesized differently. Compressive strength exceeded the minimum strength required by Hanford and greater compressive strength increase seen between the uses of different salt solution The salt waste form phase is still an ongoing process asmore » this time and could not be concluded.« less

Probing radical kinetics in the afterglow of pulsed discharges by absorption spectroscopy with light emitting diodes: Application to BCl radical

NASA Astrophysics Data System (ADS)

Vempaire, D.; Cunge, G.

2009-01-01

Measuring decay rates of radical densities in the afterglow of pulsed plasmas is a powerful approach to determine their gas phase and surface loss kinetics. We show that this measurement can be achieved by absorption spectroscopy with low cost and simple apparatus by using light emitting diodes as a light source. The feasibility is demonstrated by monitoring BCl radicals in pulsed low pressure high-density BCl3 plasmas. It is shown that BCl is lost both in the gas phase by reacting with Cl2 with a cross section of 9 Å2 and in the chamber walls with a sticking coefficient of about 0.3.

High Density, Insensitive Oxidizer With RDX Performance Final Report CRADA No. TC02178.0

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

Pagoria, P.; Preda, D.

2017-08-25

This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Physical Sciences, Inc. (PSI), to develop a synthesis and evaluate a novel high density, insensitive oxidizer with RDX performance. This CRADA resulted from the award of a Phase I STTR ("STTR") from DOD. In recent years, the synthesis of new energetic heterocyclic compounds to replace the energetic materials currently in the stockpile has received a great amount of attention. The Office of the Secretary of Defense has identified that there is a need to incorporate new energetic materialsmore » in current and future weapon systems in an effort to increase performance and decrease sensitivity. For many of the future weapon systems, incorporation of energetic compounds currently in the stockpile will not provide the desired performance and sensitivity goals. The success of this CRADA may lead to a Phase I option STTR from DOD and to a Phase II STTR from DOD. The goal of this CRADA was to produce and test a novel oxidizer, 2,5,8-trinitroheptazine (TNH).« less

Spin Imbalanced Quasi-Two-Dimensional Fermi Gases

NASA Astrophysics Data System (ADS)

Ong, Willie C.

Spin-imbalanced Fermi gases serve as a testbed for fundamental notions and are efficient table-top emulators of a variety of quantum matter ranging from neutron stars, the quark-gluon plasma, to high critical temperature superconductors. A macroscopic quantum phenomenon which occurs in spin-imbalanced Fermi gases is that of phase separation; in three dimensions, a spin-balanced, fully-paired superfluid core is surrounded by an imbalanced normal-fluid shell, followed by a fully polarized shell. In one dimension, the behavior is reversed; a balanced phase appears outside a spin-imbalanced core. This thesis details the first density profile measurements and studies on spin-imbalanced quasi-2D Fermi gases, accomplished with high-resolution, rapid sequential spin-imaging. The measured cloud radii and central densities are in disagreement with mean-field Bardeen-Cooper-Schrieffer theory for a 2D system. Data for normal-fluid mixtures are well fit by a simple 2D polaron model of the free energy. Not predicted by the model is an observed phase transition to a spin-balanced central core above a critical polarisation.

Study of non-thermal photon production under different scenarios in solar flares. 1: Scenarios and formulations

NASA Technical Reports Server (NTRS)

Perez-Peraza, J.; Alvarez, M.; Gallegos, A.

1985-01-01

In order to study the overall phenomenology involved in solar flares, it is necessary to understand their individual manifestation before building a corresponding description of the global phenomenon. Here the concern is with the production of X and gamma rays in solar flares. Flares are initiated very often within the closed magnetic field configurations of active centers. According (2) when beta = kinetic energy density/magnetic energy density approximately 0.2, the magnetic trap configuration is destructed within the time scale of the impulsive phase of flares ( 100 s). A first particle acceleration stage occurs during this phase as indicated by impulsive microwave and hard X-rays bursts. In some flare events, when the field strength beta is very high, the broken field lines may close again, such that later, in the course of the flash and main phases more hot plasma of very high conductivity is created, and so, the field and frozen plasma expand outward, as the kinetic pressure inside the closed loops increases. The magnetically trapped particles excite strong Alfven wave turbulence of small transverse scale.

Conjecture about the 2-Flavour QCD Phase Diagram

NASA Astrophysics Data System (ADS)

Nava Blanco, M. A.; Bietenholz, W.; Fernández Téllez, A.

2017-10-01

The QCD phase diagram, in particular its sector of high baryon density, is one of the most prominent outstanding mysteries within the Standard Model of particle physics. We sketch a project how to arrive at a conjecture for the case of two massless quark flavours. The pattern of spontaneous chiral symmetry breaking is isomorphic to the spontaneous magnetisation in an O(4) non-linear σ-model, which can be employed as a low-energy effective theory to study the critical behaviour. We focus on the 3d O(4) model, where the configurations are divided into topological sectors, as in QCD. A topological winding with minimal Euclidean action is denoted as a skyrmion, and the topological charge corresponds to the QCD baryon number. This effective model can be simulated on a lattice with a powerful cluster algorithm, which should allow us to identify the features of the critical temperature, as we proceed from low to high baryon density. In this sense, this projected numerical study has the potential to provide us with a conjecture about the phase diagram of QCD with two massless quark flavours.

Cosmology in one dimension: Vlasov dynamics.

PubMed

Manfredi, Giovanni; Rouet, Jean-Louis; Miller, Bruce; Shiozawa, Yui

2016-04-01

Numerical simulations of self-gravitating systems are generally based on N-body codes, which solve the equations of motion of a large number of interacting particles. This approach suffers from poor statistical sampling in regions of low density. In contrast, Vlasov codes, by meshing the entire phase space, can reach higher accuracy irrespective of the density. Here, we perform one-dimensional Vlasov simulations of a long-standing cosmological problem, namely, the fractal properties of an expanding Einstein-de Sitter universe in Newtonian gravity. The N-body results are confirmed for high-density regions and extended to regions of low matter density, where the N-body approach usually fails.

Influence of Homogenization on Microstructural Response and Mechanical Property of Al-Cu-Mn Alloy.

PubMed

Wang, Jian; Lu, Yalin; Zhou, Dongshuai; Sun, Lingyan; Li, Renxing; Xu, Wenting

2018-05-29

The evolution of the microstructures and properties of large direct chill (DC)-cast Al-Cu-Mn alloy ingots during homogenization was investigated. The results revealed that the Al-Cu-Mn alloy ingots had severe microsegregation and the main secondary phase was Al₂Cu, with minimal Al₇Cu₂Fe phase. Numerous primary eutectic phases existed in the grain boundary and the main elements were segregated at the interfaces along the interdendritic region. The grain boundaries became discontinuous, residual phases were effectively dissolved into the matrix, and the segregation degree of all elements was reduced dramatically during homogenization. In addition, the homogenized alloys exhibited improved microstructures with finer grain size, higher number density of dislocation networks, higher density of uniformly distributed θ' or θ phase (Al₂Cu), and higher volume fraction of high-angle grain boundaries compared to the nonhomogenized samples. After the optimal homogenization scheme treated at 535 °C for 10 h, the tensile strength and elongation% were about 24 MPa, 20.5 MPa, and 1.3% higher than those of the specimen without homogenization treatment.

Effect of wetting-layer density of states on the gain and phase recovery dynamics of quantum-dot semiconductor optical amplifiers

NASA Astrophysics Data System (ADS)

Kim, Jungho; Yu, Bong-Ahn

2015-03-01

We numerically investigate the effect of the wetting-layer (WL) density of states on the gain and phase recovery dynamics of quantum-dot semiconductor optical amplifiers in both electrical and optical pumping schemes by solving 1088 coupled rate equations. The temporal variations of the ultrafast gain and phase recovery responses at the ground state (GS) are calculated as a function of the WL density of states. The ultrafast gain recovery responses do not significantly depend on the WL density of states in the electrical pumping scheme and the three optical pumping schemes such as the optical pumping to the WL, the optical pumping to the excited state ensemble, and the optical pumping to the GS ensemble. The ultrafast phase recovery responses are also not significantly affected by the WL density of states except the optical pumping to the WL, where the phase recovery component caused by the WL becomes slowed down as the WL density of states increases.

First-principles study of the phonon, mechanical and thermodynamic properties of B2-phase AlY under high pressures

NASA Astrophysics Data System (ADS)

Wang, Leini; Jian, Zhang; Ning, Wei

2017-12-01

We have investigated the phonon, mechanical and thermodynamic properties of B2-phase AlY under high pressure by performing density functional theory (DFT). The result of phonon band structure shows B2-phase AlY exhibits dynamical stability. Then, the elastic properties of AlY under high pressure have been discussed. The elastic constants of AlY increase monotonically with the increase of the pressure and all the elastic constants meet the mechanical stability standard under high pressure. By analyzing the Poisson’s ratio ν and the value of B/G of AlY, we first predicted that AlY undergoes transformation from brittleness to ductility at 30 GPa and high pressure can improve the ductility. To obtain the thermodynamic properties of B2-phase AlY, the quasi-harmonic Debye model has been employed. Debye temperature ΘD, thermal expansion coefficient α, heat capacity Cp and Grüneisen parameter γ of B2-phase AlY are systematically explored at pressure of 0-75 GPa and temperature of 0-700 K.

Using phase contrast imaging to measure the properties of shock compressed aerogel

NASA Astrophysics Data System (ADS)

Hawreliak, James; Erskine, Dave; Schropp, Andres; Galtier, Eric C.; Heimann, Phil

2017-01-01

The Hugoniot states of low density materials, such as silica aerogel, are used in high energy density physics research because they can achieve a range of high temperature and pressure states through shock compression. The shock properties of 100mg/cc silica aerogel were studied at the Materials in Extreme Conditions end station using x-ray phase contrast imaging of spherically expanding shock waves. The shockwaves were generated by focusing a high power 532nm laser to a 50μm focal spot on a thin aluminum ablator. The shock speed was measured in separate experiments using line-VISAR measurements from the reflecting shock front. The relative timing between the x-ray probe and the optical laser pump was varied so x-ray PCI images were taken at pressures between 10GPa and 30GPa. Modeling the compression of the foam in the strong shock limit uses a Gruneisen parameter of 0.49 to fit the data rather than a value of 0.66 that would correspond to a plasma state.

Properties and rapid sintering of a nanostructured tetragonal zirconia composites

NASA Astrophysics Data System (ADS)

Shon, In-Jin; Yoon, Jin-Kook; Hong, Kyung-Tae

2017-09-01

4YSZ is generally used as oxygen sensors, fuel cells, thermal barrier and hip and knee joint replacements as a result of these excellent properties with its high biocompatibility, low density, good resistance against corrosion, high ionic conductivity, hard phase and melting point. However, 4YTZ with coarse grain has low resistance to wear and abrasion because of low hardness and low fracture toughness at room temperature. The fracture toughness and hardness of a 4YTZ can be improved by forming nanostructured composites and addition of a second hard phase. In this study, nanostuctured 4YTZ-graphene composites with nearly full density were achieved using high-frequency induction heated sintering for one min at a pressure of 80 MPa. The rapid consolidation and addition of graphene to 4YTZ retained the nano-scale structure of the ceramic by inhibiting grain growth. The grain size of 4YTZ was reduced remarkably by the addition of graphene and the addition of graphene to 4YTZ greatly improved the fracture toughness without decrease of hardness.