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Sample records for metastable nonequilibrium phases

  1. Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

    SciTech Connect

    Wang, Chi-Jen; Liu, Da-Jiang; Evans, James W.

    2015-04-28

    Threshold versions of Schloegl’s model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique value but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. Mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.

  2. Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

    SciTech Connect

    Wang, Chi -Jen; Liu, Da -Jiang; Evans, James W.

    2015-04-28

    Threshold versions of Schloegl’s model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique value but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. As a result, mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.

  3. Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

    DOE PAGES

    Wang, Chi -Jen; Liu, Da -Jiang; Evans, James W.

    2015-04-28

    Threshold versions of Schloegl’s model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique valuemore » but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. As a result, mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.« less

  4. Metastable Phases in Ice Clouds

    NASA Astrophysics Data System (ADS)

    Weiss, Fabian; Baloh, Philipp; Kubel, Frank; Hoelzel, Markus; Parker, Stewart; Grothe, Hinrich

    2014-05-01

    Polar Stratospheric Clouds and Cirrus Clouds contain both, pure water ice and phases of nitric acid hydrates. Preferentially for the latter, the thermodynamically stable phases have intensively been investigated in the past (e.g. nitric acid trihydrate, beta-NAT). As shown by Peter et al. [1] the water activity inside clouds is higher than expected, which might be explained by the presence of metastable stable phases (e.g. cubic ice). However, also metastable nitric acid hydrates might be important due to the inherent non-equilibrium freezing conditions in the upper atmosphere. The delta ice theory of Gao et al. [2] presents a model approach to solve this problem by involving both metastable ice and NAT as well. So it is of high interest to investigate the metastable phase of NAT (i.e. alpha-NAT), the structure of which was unknown up to the presence. In our laboratory a production procedure for metastable alpha-NAT has been developed, which gives access to neutron diffraction and X-ray diffraction measurements, where sample quantities of several Gramm are required. The diffraction techniques were used to solve the unknown crystalline structure of metastable alpha-NAT, which in turn allows the calculation of the vibrational spectra, which have also been recorded by us in the past. Rerefences [1] Peter, T., C. Marcolli, P. Spichtinger, T. Corti, M. B. Baker, and T. Koop. When dry air is too humid. Science, 314:1399-1402, 2006. [2] Gao, R., P. Popp, D. Fahey, T. Marcy, R. L. Herman, E. Weinstock, D. Baumgardener, T. Garrett, K. Rosenlof, T. Thompson, T. P. Bui, B. Ridley, S. C. Wofsy, O. B. Toon, M. Tolbert, B. Kärcher, Th. Peter, P. K. Hudson, A. Weinheimer, and A. Heymsfield. Evidence That Nitric Acid Increases Relative Humidity in Low-Temperature Cirrus Clouds, Science, 303:516-520, 2004. [3] Tizek, H., E. Knözinger, and H. Grothe. Formation and phase distribution of nitric acid hydrates in the mole fraction range xHNO3<0.25: A combined XRD and IR study, PCCP, 6

  5. Formation of metastable phases by spinodal decomposition

    PubMed Central

    Alert, Ricard; Tierno, Pietro; Casademunt, Jaume

    2016-01-01

    Metastable phases may be spontaneously formed from other metastable phases through nucleation. Here we demonstrate the spontaneous formation of a metastable phase from an unstable equilibrium by spinodal decomposition, which leads to a transient coexistence of stable and metastable phases. This phenomenon is generic within the recently introduced scenario of the landscape-inversion phase transitions, which we experimentally realize as a structural transition in a colloidal crystal. This transition exhibits a rich repertoire of new phase-ordering phenomena, including the coexistence of two equilibrium phases connected by two physically different interfaces. In addition, this scenario enables the control of sizes and lifetimes of metastable domains. Our findings open a new setting that broadens the fundamental understanding of phase-ordering kinetics, and yield new prospects of applications in materials science. PMID:27713406

  6. Formation of metastable phases by spinodal decomposition

    NASA Astrophysics Data System (ADS)

    Alert, Ricard; Tierno, Pietro; Casademunt, Jaume

    2016-10-01

    Metastable phases may be spontaneously formed from other metastable phases through nucleation. Here we demonstrate the spontaneous formation of a metastable phase from an unstable equilibrium by spinodal decomposition, which leads to a transient coexistence of stable and metastable phases. This phenomenon is generic within the recently introduced scenario of the landscape-inversion phase transitions, which we experimentally realize as a structural transition in a colloidal crystal. This transition exhibits a rich repertoire of new phase-ordering phenomena, including the coexistence of two equilibrium phases connected by two physically different interfaces. In addition, this scenario enables the control of sizes and lifetimes of metastable domains. Our findings open a new setting that broadens the fundamental understanding of phase-ordering kinetics, and yield new prospects of applications in materials science.

  7. Metastable Phase Evolution in Oxide Systems

    NASA Astrophysics Data System (ADS)

    Levi, Carlos G.

    2005-03-01

    Multi-component ceramics are often synthesized by routes that facilitate mixing at the molecular scale and subsequently generate a solid product at low homologous temperatures. Examples include chemical and physical vapor deposition, thermal spray, and pyrolytic decomposition of precursor solutions. In these processes the solid evolves rapidly from a highly energized state, typically in a temperature regime wherein long-range diffusion is largely constrained and the equilibrium configuration can be kinetically suppressed. The resulting product may exhibit various forms of metastability such as amorphization, nanocrystallinity, extended solid solubility and alternate crystalline forms. The approach allows access to novel combinations of structure and composition with unprecedented defect structures that, if reasonably durable, could have properties of potential technological interest. Understanding phase selection and evolution is facilitated by having a suitable reference framework depicting the thermodynamic hierarchy of the phases available to the system under the relevant processing conditions. When transformations are partitionless the phase menu and hierarchy can be readily derived from the relative position of the T0 curves/surfaces for the different pairs of phases. The result is a phase hierarchy map, which is an analog of the phase diagram for partitionless equilibrium. Such maps can then be used to assess the kinetic effects on the selection of metastable states and their subsequent evolution. This presentation will discuss the evolution of metastable phases in oxides, with emphasis on systems involving fluorite phases and their ordered or distorted derivatives. The concepts will be illustrated primarily with zirconia-based systems, notably those of interest in thermal barrier coatings, fuel cells and ferroelectrics (ZrO2-MO3/2, where M = Y, Sc, the lanthanides and combinations thereof, as well as ZrO2-YO3/2-TiO2, ZrO2-TiO2-PbO, etc.). Of particular

  8. Effectively explore metastable states of proteins by adaptive nonequilibrium driving simulations

    NASA Astrophysics Data System (ADS)

    Wan, Biao; Xu, Shun; Zhou, Xin

    2017-03-01

    Nonequilibrium drivings applied in molecular dynamics (MD) simulations can efficiently extend the visiting range of protein conformations, but might compel systems to go far away from equilibrium and thus mainly explore irrelevant conformations. Here we propose a general method, called adaptive nonequilibrium simulation (ANES), to automatically adjust the external driving on the fly, based on the feedback of the short-time average response of system. Thus, the ANES approximately keeps the local equilibrium but efficiently accelerates the global motion. We illustrate the capability of the ANES in highly efficiently exploring metastable conformations in the deca-alanine peptide and find that the 0.2 -μ s ANES approximately captures the important states and folding and unfolding pathways in the HP35 solution by comparing with the result of the recent 398 -μ s equilibrium MD simulation on Anton [S. Piana et al., Proc. Natl. Acad. Sci. USA 109, 17845 (2012), 10.1073/pnas.1201811109].

  9. The non-equilibrium phase diagrams of flow-induced crystallization and melting of polyethylene

    NASA Astrophysics Data System (ADS)

    Wang, Zhen; Ju, Jianzhu; Yang, Junsheng; Ma, Zhe; Liu, Dong; Cui, Kunpeng; Yang, Haoran; Chang, Jiarui; Huang, Ningdong; Li, Liangbin

    2016-09-01

    Combining extensional rheology with in-situ synchrotron ultrafast x-ray scattering, we studied flow-induced phase behaviors of polyethylene (PE) in a wide temperature range up to 240 °C. Non-equilibrium phase diagrams of crystallization and melting under flow conditions are constructed in stress-temperature space, composing of melt, non-crystalline δ, hexagonal and orthorhombic phases. The non-crystalline δ phase is demonstrated to be either a metastable transient pre-order for crystallization or a thermodynamically stable phase. Based on the non-equilibrium phase diagrams, nearly all observations in flow-induced crystallization (FIC) of PE can be well understood. The interplay of thermodynamic stabilities and kinetic competitions of the four phases creates rich kinetic pathways for FIC and diverse final structures. The non-equilibrium flow phase diagrams provide a detailed roadmap for precisely processing of PE with designed structures and properties.

  10. The non-equilibrium phase diagrams of flow-induced crystallization and melting of polyethylene

    PubMed Central

    Wang, Zhen; Ju, Jianzhu; Yang, Junsheng; Ma, Zhe; Liu, Dong; Cui, Kunpeng; Yang, Haoran; Chang, Jiarui; Huang, Ningdong; Li, Liangbin

    2016-01-01

    Combining extensional rheology with in-situ synchrotron ultrafast x-ray scattering, we studied flow-induced phase behaviors of polyethylene (PE) in a wide temperature range up to 240 °C. Non-equilibrium phase diagrams of crystallization and melting under flow conditions are constructed in stress-temperature space, composing of melt, non-crystalline δ, hexagonal and orthorhombic phases. The non-crystalline δ phase is demonstrated to be either a metastable transient pre-order for crystallization or a thermodynamically stable phase. Based on the non-equilibrium phase diagrams, nearly all observations in flow-induced crystallization (FIC) of PE can be well understood. The interplay of thermodynamic stabilities and kinetic competitions of the four phases creates rich kinetic pathways for FIC and diverse final structures. The non-equilibrium flow phase diagrams provide a detailed roadmap for precisely processing of PE with designed structures and properties. PMID:27609305

  11. Discovery of a metastable Al20Sm4 phase

    DOE PAGES

    Ye, Z.; Zhang, F.; Sun, Y.; ...

    2015-03-09

    In this study, we present an efficient genetic algorithm, integrated with experimental diffraction data, to solve a nanoscale metastable Al20Sm4 phase that evolves during crystallization of an amorphous magnetron sputtered Al90Sm10 alloy. The excellent match between calculated and experimental X-ray diffraction patterns confirms an accurate description of this metastable phase. Molecular dynamic simulations of crystal growth from the liquid phase predict the formation of disordered defects in the devitrified crystal.

  12. Discovery of a metastable Al20Sm4 phase

    NASA Astrophysics Data System (ADS)

    Ye, Z.; Zhang, F.; Sun, Y.; Mendelev, M. I.; Ott, R. T.; Park, E.; Besser, M. F.; Kramer, M. J.; Ding, Z.; Wang, C.-Z.; Ho, K.-M.

    2015-03-01

    We present an efficient genetic algorithm, integrated with experimental diffraction data, to solve a nanoscale metastable Al20Sm4 phase that evolves during crystallization of an amorphous magnetron sputtered Al90Sm10 alloy. The excellent match between calculated and experimental X-ray diffraction patterns confirms an accurate description of this metastable phase. Molecular dynamic simulations of crystal growth from the liquid phase predict the formation of disordered defects in the devitrified crystal.

  13. Modeling of metastable phase formation diagrams for sputtered thin films

    PubMed Central

    Chang, Keke; Music, Denis; to Baben, Moritz; Lange, Dennis; Bolvardi, Hamid; Schneider, Jochen M.

    2016-01-01

    Abstract A method to model the metastable phase formation in the Cu–W system based on the critical surface diffusion distance has been developed. The driver for the formation of a second phase is the critical diffusion distance which is dependent on the solubility of W in Cu and on the solubility of Cu in W. Based on comparative theoretical and experimental data, we can describe the relationship between the solubilities and the critical diffusion distances in order to model the metastable phase formation. Metastable phase formation diagrams for Cu–W and Cu–V thin films are predicted and validated by combinatorial magnetron sputtering experiments. The correlative experimental and theoretical research strategy adopted here enables us to efficiently describe the relationship between the solubilities and the critical diffusion distances in order to model the metastable phase formation during magnetron sputtering. PMID:27877871

  14. Modeling of metastable phase formation diagrams for sputtered thin films.

    PubMed

    Chang, Keke; Music, Denis; To Baben, Moritz; Lange, Dennis; Bolvardi, Hamid; Schneider, Jochen M

    2016-01-01

    A method to model the metastable phase formation in the Cu-W system based on the critical surface diffusion distance has been developed. The driver for the formation of a second phase is the critical diffusion distance which is dependent on the solubility of W in Cu and on the solubility of Cu in W. Based on comparative theoretical and experimental data, we can describe the relationship between the solubilities and the critical diffusion distances in order to model the metastable phase formation. Metastable phase formation diagrams for Cu-W and Cu-V thin films are predicted and validated by combinatorial magnetron sputtering experiments. The correlative experimental and theoretical research strategy adopted here enables us to efficiently describe the relationship between the solubilities and the critical diffusion distances in order to model the metastable phase formation during magnetron sputtering.

  15. Non-equilibrium phase transitions of aqueous starch systems.

    PubMed

    Biliaderis, C G

    1991-01-01

    Experimental data on phase transitions of aqueous starch systems, obtained by thermal analysis (TA) methods, are often indicative of irreversible (non-equilibrium) processes involving various metastable states. The thermal responses usually reflect composite effects from contributions of several opposing processes [e.g. annealing, melting, and (re)crystallization] taking place concurrently during TA. It is important, therefore, to recognize the temperature- and time-dependence of the structure of starch materials, if non-isothermal techniques are used for their characterization. Identifying the pertinent morphological features (supermolecular structure) of each particular system, as well as recognizing the role of water as a plasticizer which depresses the Tg of the amorphous domains, is essential to predict heat/moisture-mediated transformations of this biopolymer. The phase transition behaviour of granular starch and amylose-lipid complexes, as revealed by Differential Scanning Calorimetry and Thermomechanical Analysis, and the metastability of these materials are considered herein with respect to the effects of water and low molecular weight solutes.

  16. Metastable phase formation in Be-Nb intermetallic compounds

    SciTech Connect

    Brimhall, J.L.; Charlot, L.A.; Bruemmer, S.M.

    1990-11-01

    Amorphous structures or metastable crystalline phases are produced in sputter-deposited Beryllium-Niobium (Be-Nb) alloys (5-15 at. % Nb) depending on the substrate temperature. The metastable phases transform to the stable Be{sub 12}Nb, Be{sub 17}Nb{sub 2}Nb phases on annealing at temperatures >800{degree}C. No Be{sub 5}Nb phase was found and the Be{sub 17}Nb{sub 2} phase is stable to low temperature. The Be{sub 12}Nb phase appeared to have a stoichiometric range of about 5.5 to 7.7 at. % Nb. The formation of the metastable phases is consistent with current models and theories. 17 refs., 1 fig., 2 tabs.

  17. Research on Sources of Gas Phase Metastable Atoms and Molecules

    DTIC Science & Technology

    1982-05-01

    PAGI(Whi DeE# WA..teod) -systems of interest to such diverse areas as gas discharge physics, chemical physics, flame chemistry and plasma physics. "A...second task involved a literature review of prior basic research meta- stable sources followed by the development and experimental testing of appro...appropriate for this phase of the program. The operation of this type of metastable source wab investigated and tested for the production of metastable argon

  18. A nonequilibrium phase transition in immune response

    NASA Astrophysics Data System (ADS)

    Zhang, Wei; Qi, An-Shen

    2004-07-01

    The dynamics of immune response correlated to signal transduction in immune thymic cells (T cells) is studied. In particular, the problem of the phosphorylation of the immune-receptor tyrosine-based activation motifs (ITAM) is explored. A nonlinear model is established on the basis of experimental observations. The behaviours of the model can be well analysed using the concepts of nonequilibrium phase transitions. In addition, the Riemann-Hugoniot cusp catastrophe is demonstrated by the model. Due to the application of the theory of nonequilibrium phase transitions, the biological phenomena can be clarified more precisely. The results can also be used to further explain the signal transduction and signal discrimination of an important type of immune T cell.

  19. Random fields at a nonequilibrium phase transition.

    PubMed

    Barghathi, Hatem; Vojta, Thomas

    2012-10-26

    We study nonequilibrium phase transitions in the presence of disorder that locally breaks the symmetry between two equivalent macroscopic states. In low-dimensional equilibrium systems, such random-field disorder is known to have dramatic effects: it prevents spontaneous symmetry breaking and completely destroys the phase transition. In contrast, we show that the phase transition of the one-dimensional generalized contact process persists in the presence of random-field disorder. The ultraslow dynamics in the symmetry-broken phase is described by a Sinai walk of the domain walls between two different absorbing states. We discuss the generality and limitations of our theory, and we illustrate our results by large-scale Monte Carlo simulations.

  20. Nonequilibrium Phase Chemistry in High Temperature Structure Alloys

    NASA Technical Reports Server (NTRS)

    Wang, R.

    1991-01-01

    Titanium and nickel aluminides of nonequilibrium microstructures and in thin gauge thickness were identified, characterized and produced for potential high temperature applications. A high rate sputter deposition technique for rapid surveillance of the microstructures and nonequilibrium phase is demonstrated. Alloys with specific compositions were synthesized with extended solid solutions, stable dispersoids, and specific phase boundaries associated with different heat treatments. Phase stability and mechanical behavior of these nonequilibrium alloys were investigated and compared.

  1. Cooperative photoinduced metastable phase control in strained manganite films

    NASA Astrophysics Data System (ADS)

    Zhang, Jingdi; Tan, Xuelian; Liu, Mengkun; Teitelbaum, S. W.; Post, K. W.; Jin, Feng; Nelson, K. A.; Basov, D. N.; Wu, Wenbin; Averitt, R. D.

    2016-09-01

    A major challenge in condensed-matter physics is active control of quantum phases. Dynamic control with pulsed electromagnetic fields can overcome energetic barriers, enabling access to transient or metastable states that are not thermally accessible. Here we demonstrate strain-engineered tuning of La2/3Ca1/3MnO3 into an emergent charge-ordered insulating phase with extreme photo-susceptibility, where even a single optical pulse can initiate a transition to a long-lived metastable hidden metallic phase. Comprehensive single-shot pulsed excitation measurements demonstrate that the transition is cooperative and ultrafast, requiring a critical absorbed photon density to activate local charge excitations that mediate magnetic-lattice coupling that, in turn, stabilize the metallic phase. These results reveal that strain engineering can tune emergent functionality towards proximal macroscopic states to enable dynamic ultrafast optical phase switching and control.

  2. Cooperative photoinduced metastable phase control in strained manganite films.

    PubMed

    Zhang, Jingdi; Tan, Xuelian; Liu, Mengkun; Teitelbaum, S W; Post, K W; Jin, Feng; Nelson, K A; Basov, D N; Wu, Wenbin; Averitt, R D

    2016-09-01

    A major challenge in condensed-matter physics is active control of quantum phases. Dynamic control with pulsed electromagnetic fields can overcome energetic barriers, enabling access to transient or metastable states that are not thermally accessible. Here we demonstrate strain-engineered tuning of La2/3Ca1/3MnO3 into an emergent charge-ordered insulating phase with extreme photo-susceptibility, where even a single optical pulse can initiate a transition to a long-lived metastable hidden metallic phase. Comprehensive single-shot pulsed excitation measurements demonstrate that the transition is cooperative and ultrafast, requiring a critical absorbed photon density to activate local charge excitations that mediate magnetic-lattice coupling that, in turn, stabilize the metallic phase. These results reveal that strain engineering can tune emergent functionality towards proximal macroscopic states to enable dynamic ultrafast optical phase switching and control.

  3. In Situ Observations of Phase Transitions in Metastable Nickel (Carbide)/Carbon Nanocomposites.

    PubMed

    Bayer, Bernhard C; Bosworth, David A; Michaelis, F Benjamin; Blume, Raoul; Habler, Gerlinde; Abart, Rainer; Weatherup, Robert S; Kidambi, Piran R; Baumberg, Jeremy J; Knop-Gericke, Axel; Schloegl, Robert; Baehtz, Carsten; Barber, Zoe H; Meyer, Jannik C; Hofmann, Stephan

    2016-10-06

    Nanocomposite thin films comprised of metastable metal carbides in a carbon matrix have a wide variety of applications ranging from hard coatings to magnetics and energy storage and conversion. While their deposition using nonequilibrium techniques is established, the understanding of the dynamic evolution of such metastable nanocomposites under thermal equilibrium conditions at elevated temperatures during processing and during device operation remains limited. Here, we investigate sputter-deposited nanocomposites of metastable nickel carbide (Ni3C) nanocrystals in an amorphous carbon (a-C) matrix during thermal postdeposition processing via complementary in situ X-ray diffractometry, in situ Raman spectroscopy, and in situ X-ray photoelectron spectroscopy. At low annealing temperatures (300 °C) we observe isothermal Ni3C decomposition into face-centered-cubic Ni and amorphous carbon, however, without changes to the initial finely structured nanocomposite morphology. Only for higher temperatures (400-800 °C) Ni-catalyzed isothermal graphitization of the amorphous carbon matrix sets in, which we link to bulk-diffusion-mediated phase separation of the nanocomposite into coarser Ni and graphite grains. Upon natural cooling, only minimal precipitation of additional carbon from the Ni is observed, showing that even for highly carbon saturated systems precipitation upon cooling can be kinetically quenched. Our findings demonstrate that phase transformations of the filler and morphology modifications of the nanocomposite can be decoupled, which is advantageous from a manufacturing perspective. Our in situ study also identifies the high carbon content of the Ni filler crystallites at all stages of processing as the key hallmark feature of such metal-carbon nanocomposites that governs their entire thermal evolution. In a wider context, we also discuss our findings with regard to the much debated potential role of metastable Ni3C as a catalyst phase in graphene and carbon

  4. In Situ Observations of Phase Transitions in Metastable Nickel (Carbide)/Carbon Nanocomposites

    PubMed Central

    2016-01-01

    Nanocomposite thin films comprised of metastable metal carbides in a carbon matrix have a wide variety of applications ranging from hard coatings to magnetics and energy storage and conversion. While their deposition using nonequilibrium techniques is established, the understanding of the dynamic evolution of such metastable nanocomposites under thermal equilibrium conditions at elevated temperatures during processing and during device operation remains limited. Here, we investigate sputter-deposited nanocomposites of metastable nickel carbide (Ni3C) nanocrystals in an amorphous carbon (a-C) matrix during thermal postdeposition processing via complementary in situ X-ray diffractometry, in situ Raman spectroscopy, and in situ X-ray photoelectron spectroscopy. At low annealing temperatures (300 °C) we observe isothermal Ni3C decomposition into face-centered-cubic Ni and amorphous carbon, however, without changes to the initial finely structured nanocomposite morphology. Only for higher temperatures (400–800 °C) Ni-catalyzed isothermal graphitization of the amorphous carbon matrix sets in, which we link to bulk-diffusion-mediated phase separation of the nanocomposite into coarser Ni and graphite grains. Upon natural cooling, only minimal precipitation of additional carbon from the Ni is observed, showing that even for highly carbon saturated systems precipitation upon cooling can be kinetically quenched. Our findings demonstrate that phase transformations of the filler and morphology modifications of the nanocomposite can be decoupled, which is advantageous from a manufacturing perspective. Our in situ study also identifies the high carbon content of the Ni filler crystallites at all stages of processing as the key hallmark feature of such metal–carbon nanocomposites that governs their entire thermal evolution. In a wider context, we also discuss our findings with regard to the much debated potential role of metastable Ni3C as a catalyst phase in graphene and

  5. Electrostatic levitation studies of supercooled liquids and metastable solid phases

    NASA Astrophysics Data System (ADS)

    Rustan, Gustav Errol

    been carried out to study the metastable phase formation in an Fe83B17 near eutectic alloy. Initial supercooling measurements using the ISU-ESL identified the formation of three metastable phases: a precipitate phase that shows stable coexistence with the deeply supercooled liquid, and two distinct bulk solidification phases. To identify the structure of the metastable phases, the Washington University Beamline ESL (WU-BESL) has been used to perform in-situ high energy x-ray diffraction measurements of the metastable phases. Based on the x-ray results, the precipitate phase has been identified as bcc-Fe, and the more commonly occurring bulk solidification product has been found to be a two-phase mixture of Fe23B6 plus fcc-Fe, which appears, upon cooling, to transform into a three phase mixture of Fe23B6, bcc-Fe, and an as-yet unidentified phase, with the transformation occurring at approximately the expected fcc-to-bcc transformation temperature of pure Fe. To further characterize the multi-phase metastable alloy, the ISU-ESL has been used to perform measurements of volume thermal expansion via the videographic technique, as well as RF susceptibility via the TDO technique. The results of the thermal expansion and susceptibility data have been found to be sensitive indicators of additional structural changes that may be occurring in the metastable solid at temperatures below 1000 K, and the susceptibility data has revealed that three distinct ferromagnetic phase transitions take place within the multi-phase mixture. Based on these results, it has been hypothesized that there may be an additional transformation taking place that leads to the formation of either bct- or o-Fe3B in addition to the Fe23B6 phase, although further work is required to test this hypothesis.

  6. A new nanoscale metastable iron phase in carbon steels.

    PubMed

    Liu, Tianwei; Zhang, Danxia; Liu, Qing; Zheng, Yanjun; Su, Yanjing; Zhao, Xinqing; Yin, Jiang; Song, Minghui; Ping, Dehai

    2015-10-27

    Metastable ω phase is common in body-centred cubic (bcc) metals and alloys, including high-alloying steels. Recent theoretical calculations also suggest that the ω structure may act as an intermediate phase for face-centred cubic (fcc)-to-bcc transformation. Thus far, the role of the ω phase played in fcc-bcc martensitic transformation in carbon steels has not been reported. In previous investigations on martensitic carbon steels, extra electron diffraction spots were frequently observed by transmission electron microscopy (TEM), and these spots were historically ascribed to the diffraction arising from either internal twins or carbides. In this paper, an intensive TEM investigation revealed that the extra spots are in fact attributed to the metastable ω phase in particle-like morphology with an overall size of several or dozens of nanometres. The strict orientation relationships between the ω phase and the ferrite matrix are in good agreement with those of the hexagonal (P6/mmm) ω phase in other bcc metals and alloys. The identification of the ω phase as well as the extra diffraction spots might provide a clue to help understand the physical mechanism of martensitic transformation in steels.

  7. A new nanoscale metastable iron phase in carbon steels

    PubMed Central

    Liu, Tianwei; Zhang, Danxia; Liu, Qing; Zheng, Yanjun; Su, Yanjing; Zhao, Xinqing; Yin, Jiang; Song, Minghui; Ping, Dehai

    2015-01-01

    Metastable ω phase is common in body-centred cubic (bcc) metals and alloys, including high-alloying steels. Recent theoretical calculations also suggest that the ω structure may act as an intermediate phase for face-centred cubic (fcc)-to-bcc transformation. Thus far, the role of the ω phase played in fcc-bcc martensitic transformation in carbon steels has not been reported. In previous investigations on martensitic carbon steels, extra electron diffraction spots were frequently observed by transmission electron microscopy (TEM), and these spots were historically ascribed to the diffraction arising from either internal twins or carbides. In this paper, an intensive TEM investigation revealed that the extra spots are in fact attributed to the metastable ω phase in particle-like morphology with an overall size of several or dozens of nanometres. The strict orientation relationships between the ω phase and the ferrite matrix are in good agreement with those of the hexagonal (P6/mmm) ω phase in other bcc metals and alloys. The identification of the ω phase as well as the extra diffraction spots might provide a clue to help understand the physical mechanism of martensitic transformation in steels. PMID:26503890

  8. A new nanoscale metastable iron phase in carbon steels

    NASA Astrophysics Data System (ADS)

    Liu, Tianwei; Zhang, Danxia; Liu, Qing; Zheng, Yanjun; Su, Yanjing; Zhao, Xinqing; Yin, Jiang; Song, Minghui; Ping, Dehai

    2015-10-01

    Metastable ω phase is common in body-centred cubic (bcc) metals and alloys, including high-alloying steels. Recent theoretical calculations also suggest that the ω structure may act as an intermediate phase for face-centred cubic (fcc)-to-bcc transformation. Thus far, the role of the ω phase played in fcc-bcc martensitic transformation in carbon steels has not been reported. In previous investigations on martensitic carbon steels, extra electron diffraction spots were frequently observed by transmission electron microscopy (TEM), and these spots were historically ascribed to the diffraction arising from either internal twins or carbides. In this paper, an intensive TEM investigation revealed that the extra spots are in fact attributed to the metastable ω phase in particle-like morphology with an overall size of several or dozens of nanometres. The strict orientation relationships between the ω phase and the ferrite matrix are in good agreement with those of the hexagonal (P6/mmm) ω phase in other bcc metals and alloys. The identification of the ω phase as well as the extra diffraction spots might provide a clue to help understand the physical mechanism of martensitic transformation in steels.

  9. Metastable Amyloid Phases and their Conversion to Mature Fibrils

    NASA Astrophysics Data System (ADS)

    Muschol, Martin; Miti, Tatiana; Mulaj, Mentor; Schmit, Jeremy

    Self-assembly of proteins into amyloid fibrils plays a key role in both functional biological responses and pathogenic disorders which include Alzheimer's disease and type II diabetes. Amyloid fibril assembly frequently generates compact oligomeric and curvilinear polymeric intermediates which are implicated to be toxic to cells. Yet, the relation between these early-stage oligomeric aggregates and late-stage rigid fibrils, which are the hallmark structure of amyloid plaques, has remained unclear. Our measurements indicate that lysozyme amyloid oligomers and their curvilinear fibrils only form after crossing a salt and protein concentration dependent threshold. These oligomeric aggregates are structurally distinct from rigid fibrils and are metastable against nucleation and growth of rigid fibrils. Our experimental transition boundaries match well with colloidal model predictions accounting for salt-modulated charge repulsion. We also report our preliminary findings on the mechanism by which these metastable oligomeric phases are converted into stable amyloid fibrils.

  10. Nonequilibrium quantum phase transitions in the Dicke model.

    PubMed

    Bastidas, V M; Emary, C; Regler, B; Brandes, T

    2012-01-27

    We establish a set of nonequilibrium quantum phase transitions in the Dicke model by considering a monochromatic nonadiabatic modulation of the atom-field coupling. For weak driving the system exhibits a set of sidebands which allow the circumvention of the no-go theorem which otherwise forbids the occurrence of superradiant phase transitions. At strong driving we show that the system exhibits a rich multistable structure and exhibits both first- and second-order nonequilibrium quantum phase transitions.

  11. Metastable states in calcium phosphate - aqueous phase equilibrations

    NASA Astrophysics Data System (ADS)

    Driessens, F. C. M.; Verbeeck, R. M. H.

    1981-05-01

    A critical evaluation of the literature reveals that during equilibration of well crystallized hydroxyapatite in aqueous solutions metastable states can occur. They are characterized by a persistent supersaturation with respect to hydroxyapatite and a systematical dependence of the ion activity product of this compound on the solution composition. For products synthesized by thermal treatment it is known that they are transformed into oxyhydroxyapatite so that the theoretical solubility behaviour could be predicted from the extrapolated value of the free energy of oxyapatite at room temperature: the negative logarithm of the ionic product for hydroxyapatite should become close to that of oxyapatite during equilibration. The discrepancy with experimental data is probably due to the formation of thin layers seeming dicalcium phosphate dihydrate, octocalcium phosphate or defective hydroxyapatite as coatings on the apatite crystals. This is derived from the apparent Ca/P ratio of the solubility controlling phase. According to chemical potential plots this apparent Ca/P ratio can have values close to 1, 1.33, 1.50 or 1.67. The aqueous solutions are clearly undersaturated with respect to the more acidic calcium phosphates so that the coatings must deviate from the compositions of these compounds in their pure state. The formation of these metastable states during equilibration of oxyhydroxyapatites is compared with others occuring during precipitation and crystal growth of calcium phosphates. A model is proposed which explains the observations qualitatively.

  12. Non-equilibrium quantum phase transition via entanglement decoherence dynamics

    PubMed Central

    Lin, Yu-Chen; Yang, Pei-Yun; Zhang, Wei-Min

    2016-01-01

    We investigate the decoherence dynamics of continuous variable entanglement as the system-environment coupling strength varies from the weak-coupling to the strong-coupling regimes. Due to the existence of localized modes in the strong-coupling regime, the system cannot approach equilibrium with its environment, which induces a nonequilibrium quantum phase transition. We analytically solve the entanglement decoherence dynamics for an arbitrary spectral density. The nonequilibrium quantum phase transition is demonstrated as the system-environment coupling strength varies for all the Ohmic-type spectral densities. The 3-D entanglement quantum phase diagram is obtained. PMID:27713556

  13. Thermally driven metastable solid-solution Li0.5FePO4 in nanosized particles and its phase separation behaviors

    NASA Astrophysics Data System (ADS)

    Yoo, Sunyoung; Kang, Byoungwoo

    2013-10-01

    Nanosized LiFePO4 particles easily show a fast electrochemical response that can be achieved via a non-equilibrium pathway. To understand this intriguing phase transition behavior in nanosized LiFePO4 particles, the metastable solid-solution phase was prepared by thermal treatment with a chemically delithiated nanosized Li0.5FePO4 sample. Thermal treatment makes all the nanosized particles transform easily to the metastable solid-solution phase because of the large thermal energy while an electrochemical reaction does not. The phase separation behavior of the metastable solid-solution sample (Li0.5FePO4) was investigated under various kinetic conditions to understand critical factors affecting the phase separation behavior of nanosized LiFePO4 particles. The main findings in this study are as follows. The first finding is that the depressed phase separation behavior of the metastable phase may originate from the nanoparticle effect, in which the formation of a second phase inside a nanosized particle is not energetically favored because of the large interfacial energy. Therefore, phase separation in nanosized particles occurs between particles rather than inside a particle. If there was no over-potential, such as in the relaxed pellet experiment or in the relaxed electrode experiment in the electrolyte, the metastable phase was quite stable showing no phase separation behavior even though efficient pathways for lithium ions and electrons were well developed. The second finding is that the phase separation behavior of the metastable phase actually depends on the over-potential. Under open circuit voltage (OCV) conditions, the metastable phase started to exhibit a slight structural change during a long relaxation time, about ten days. The slow change of the metastable phase may be due to the low driving force, less than 10 mV, which comes from the energetic difference between the two-phase state and the metastable phase. This indicates that the phase separation

  14. Thermally driven metastable solid-solution Li(0.5)FePO4 in nanosized particles and its phase separation behaviors.

    PubMed

    Yoo, Sunyoung; Kang, Byoungwoo

    2013-10-25

    Nanosized LiFePO4 particles easily show a fast electrochemical response that can be achieved via a non-equilibrium pathway. To understand this intriguing phase transition behavior in nanosized LiFePO4 particles, the metastable solid-solution phase was prepared by thermal treatment with a chemically delithiated nanosized Li0.5FePO4 sample. Thermal treatment makes all the nanosized particles transform easily to the metastable solid-solution phase because of the large thermal energy while an electrochemical reaction does not. The phase separation behavior of the metastable solid-solution sample (Li0.5FePO4) was investigated under various kinetic conditions to understand critical factors affecting the phase separation behavior of nanosized LiFePO4 particles. The main findings in this study are as follows. The first finding is that the depressed phase separation behavior of the metastable phase may originate from the nanoparticle effect, in which the formation of a second phase inside a nanosized particle is not energetically favored because of the large interfacial energy. Therefore, phase separation in nanosized particles occurs between particles rather than inside a particle. If there was no over-potential, such as in the relaxed pellet experiment or in the relaxed electrode experiment in the electrolyte, the metastable phase was quite stable showing no phase separation behavior even though efficient pathways for lithium ions and electrons were well developed. The second finding is that the phase separation behavior of the metastable phase actually depends on the over-potential. Under open circuit voltage (OCV) conditions, the metastable phase started to exhibit a slight structural change during a long relaxation time, about ten days. The slow change of the metastable phase may be due to the low driving force, less than 10 mV, which comes from the energetic difference between the two-phase state and the metastable phase. This indicates that the phase separation

  15. Optimization of crystal nucleation close to a metastable fluid-fluid phase transition.

    PubMed

    Wedekind, Jan; Xu, Limei; Buldyrev, Sergey V; Stanley, H Eugene; Reguera, David; Franzese, Giancarlo

    2015-06-22

    The presence of a metastable fluid-fluid critical point is thought to dramatically influence the crystallization pathway, increasing the nucleation rate by many orders of magnitude over the predictions of classical nucleation theory. We use molecular dynamics simulations to study the kinetics of crystallization in the vicinity of this metastable critical point and throughout the metastable fluid-fluid phase diagram. To quantitatively understand how the fluid-fluid phase separation affects the crystal nucleation, we evaluate accurately the kinetics and reconstruct the thermodynamic free-energy landscape of crystal formation. Contrary to expectations, we find no special advantage of the proximity of the metastable critical point on the crystallization rates. However, we find that the ultrafast formation of a dense liquid phase causes the crystallization to accelerate both near the metastable critical point and almost everywhere below the fluid-fluid spinodal line. These results unveil three different scenarios for crystallization that could guide the optimization of the process in experiments.

  16. Phase diagram with a region of liquid carbon-diamond metastable states

    NASA Astrophysics Data System (ADS)

    Basharin, A. Yu.; Dozhdikov, V. S.; Kirillin, A. V.; Turchaninov, M. A.; Fokin, L. R.

    2010-06-01

    Metastable cubic diamond has been found in the structure of solid carbon obtained by quenching of a liquid phase at a pressure (0.012 GPa) much lower than that corresponding to the existence of stable diamond. It is suggested that this metastable diamond is formed as a result of the recalescence of supercooled liquid carbon to the melting point ( T dm) of metastable diamond due to a lower energy barrier for the formation of diamond as compared to that of graphite. A comparison between the calculated Gibbs energies of metastable phases provided an estimate of T dm = 4160 ± 50 K. For the first time, metastable continuations of the curve of diamond melting at pressures of up to 0.012 GPa are constructed on the phase diagrams of carbon (according to various published data) using analytical curves described by a two-parametric Simon equation.

  17. THE ROLE OF METASTABLE STATES IN POLYMER PHASE TRANSITIONS: Concepts, Principles, and Experimental Observations

    NASA Astrophysics Data System (ADS)

    Cheng, Stephen Z. D.; Keller, Andrew

    1998-08-01

    Polymer phases can be described in the same way as phases in other condensed matter using a number density operator and its correlation functions. This description requires the understanding of symmetry operations and order at different atomic and molecular levels. Statistical mechanics provides a link between the microscopic description of the structure and motion and the macroscopic thermodynamic properties. Within the limits of the laws of thermodynamics, polymers exhibit a rich variety of phase transition behaviors. By definition, a first-order phase transition describes a transformation that involves a sudden change of thermodynamic properties at its transition temperature, whereas higher-order phase transitions are classified as critical phenomena. Of special interest is the role of metastability in phase and phase transition behaviors. Although a metastable state possesses a local free energy minimum, it is not at the global equilibrium. Furthermore, metastable states can also be associated with phase sizes. Metastable behavior is also observed in phase transformations that are impeded by kinetic limitations along the pathway to thermodynamic equilibrium. This is illustrated in structural and morphological investigations of crystallization and mesophase transitions, liquid-liquid phase separation, vitrification, and gel formation, as well as combinations of transformation processes. In these cases, the metastable state often becomes the dominant state for the entire system and is observed over a range of time and size scales. This review describes the general principles of metastability in polymer phases and phase transitions and provides illustrations from current experimental works in selected areas.

  18. Metastable phase of lead phthalocyanine films on graphite: Correlation between geometrical and electronic structures

    NASA Astrophysics Data System (ADS)

    Kawakita, N.; Yamada, T.; Meissner, M.; Forker, R.; Fritz, T.; Munakata, T.

    2017-01-01

    The geometrical and electronic structures of a metastable phase of lead phthalocyanine (PbPc) films on graphite have been studied by combined use of low energy electron diffraction (LEED) and two-photon photoemission (2PPE) spectroscopy. In submonolayer (sub-ML) PbPc films on graphite, islands in a metastable phase are formed just after deposition, as we reported previously by use of photoelectron emission microscopy (PEEM) [I. Yamamoto, N. Matsuura, M. Mikamori, R. Yamamoto, T. Yamada, K. Miyakubo, N. Ueno, and T. Munakata, Surf. Sci. 602, 2232 (2008), 10.1016/j.susc.2008.04.037]. On single crystalline graphite substrates, the metastable islands produce clearly discernible LEED spots. By comparing the unit cell with that of annealed 1 ML films, molecules in the metastable islands are standing upright with a molecular density 1.8 times higher than that in the well-ordered 1 ML films. The LEED spots for the sub-ML films disappear after annealing. The islands in the metastable phase are surrounded by areas of a two-dimensional (2D) gaslike phase composed of flat-lying molecules. The metastable islands melt into the 2D gas phase, consistent with the PEEM results. In 2PPE spectroscopy, the lowest unoccupied molecular orbital (LUMO) derived level of the metastable phase is clearly distinguishable from that of flat-lying molecules. By tracking the thermal annealing process of the films by 2PPE spectroscopy, we clarify the decay of the LUMO derived peak intensity, the work function shift, and the energy shifts of molecular states associated with the transition from the metastable phase to the 2D gas phase. With this, we demonstrate the complementary capabilities of LEED and 2PPE spectroscopy to probe phase transitions of organic films in a nondestructive manner.

  19. Nonequilibrium phase transitions in cuprates observed by ultrafast electron crystallography.

    PubMed

    Gedik, Nuh; Yang, Ding-Shyue; Logvenov, Gennady; Bozovic, Ivan; Zewail, Ahmed H

    2007-04-20

    Nonequilibrium phase transitions, which are defined by the formation of macroscopic transient domains, are optically dark and cannot be observed through conventional temperature- or pressure-change studies. We have directly determined the structural dynamics of such a nonequilibrium phase transition in a cuprate superconductor. Ultrafast electron crystallography with the use of a tilted optical geometry technique afforded the necessary atomic-scale spatial and temporal resolutions. The observed transient behavior displays a notable "structural isosbestic" point and a threshold effect for the dependence of c-axis expansion (Deltac) on fluence (F), with Deltac/F = 0.02 angstrom/(millijoule per square centimeter). This threshold for photon doping occurs at approximately 0.12 photons per copper site, which is unexpectedly close to the density (per site) of chemically doped carriers needed to induce superconductivity.

  20. Nonequilibrium phase transition on a randomly diluted lattice.

    PubMed

    Vojta, Thomas; Lee, Man Young

    2006-01-27

    We show that the interplay between geometric criticality and dynamical fluctuations leads to a novel universality class of the contact process on a randomly diluted lattice. The nonequilibrium phase transition across the percolation threshold of the lattice is characterized by unconventional activated (exponential) dynamical scaling and strong Griffiths effects. We calculate the critical behavior in two and three space dimensions, and we also relate our results to the recently found infinite-randomness fixed point in the disordered one-dimensional contact process.

  1. Metastable bcc phase formation in the Nb-Cr-Ti system

    SciTech Connect

    Thoma, D.J.; Perepezko, J.H.

    1994-08-01

    Metastable disordered bcc phases have been formed from the melt in the Nb-Cr-Ti system where primary Laves phases would develop under equilibrium solidification conditions. Three vertical temperature-composition sections in the ternary system incorporating NbCr, were evaluated: the Nb-Cr binary, the TiCr{sub 2}-NbCr{sub 2} isoplethal section, and the NbCr{sub 2}-Ti plethal section. In the rapid solidification of NbCr{sub 2}, metastable bcc phase formation was not observed, but deviations from NbCr{sub 2} stoichiometry or alloying with Ti was found to promote bcc phase formation by decreasing the required liquid undercooling to reach the metastable bcc liquidus and solidus. The metastable phases were characterized through x-ray diffraction (XRD), and systematic deviations from Vegard`s Rule have been defined in the three plethal sections. The metastable bcc phases decompose at temperatures >800{degrees}C to uniformly refined microstructures. As a result, novel microstructural tailoring schemes are possible through the metastable precursor microstructures.

  2. Nonequilibrium Phase Behavior from Minimization of Free Power Dissipation

    NASA Astrophysics Data System (ADS)

    Krinninger, Philip; Schmidt, Matthias; Brader, Joseph M.

    2016-11-01

    We develop a general theory for describing phase coexistence between nonequilibrium steady states in Brownian systems, based on power functional theory [M. Schmidt and J. M. Brader, J. Chem. Phys. 138, 214101 (2013)]. We apply the framework to the special case of fluid-fluid phase separation of active soft sphere swimmers. The central object of the theory, the dissipated free power, is calculated via computer simulations and compared to a simple analytical approximation. The theory describes well the simulation data and predicts motility-induced phase separation due to avoidance of dissipative clusters.

  3. Broadening of a nonequilibrium phase transition by extended structural defects.

    PubMed

    Vojta, Thomas

    2004-08-01

    We study the effects of quenched extended impurities on nonequilibrium phase transitions in the directed percolation universality class. We show that these impurities have a dramatic effect: they completely destroy the sharp phase transition by smearing. This is caused by rare strongly coupled spatial regions which can undergo the phase transition independently from the bulk system. We use extremal statistics to determine the stationary state as well as the dynamics in the tail of the smeared transition, and we illustrate the results by computer simulations.

  4. Antiferromagnetic phase transition in a nonequilibrium lattice of Rydberg atoms

    SciTech Connect

    Lee, Tony E.; Cross, M. C.; Haeffner, H.

    2011-09-15

    We study a driven-dissipative system of atoms in the presence of laser excitation to a Rydberg state and spontaneous emission. The atoms interact via the blockade effect, whereby an atom in the Rydberg state shifts the Rydberg level of neighboring atoms. We use mean-field theory to study how the Rydberg population varies in space. As the laser frequency changes, there is a continuous transition between the uniform and antiferromagnetic phases. The nonequilibrium nature also leads to a novel oscillatory phase and bistability between the uniform and antiferromagnetic phases.

  5. Nonequilibrium phase transitions and a nonequilibrium critical point from anti-de Sitter space and conformal field theory correspondence.

    PubMed

    Nakamura, Shin

    2012-09-21

    We find novel phase transitions and critical phenomena that occur only outside the linear-response regime of current-driven nonequilibrium states. We consider the strongly interacting (3+1)-dimensional N = 4 large-N(c) SU(N(c)) supersymmetric Yang-Mills theory with a single flavor of fundamental N = 2 hypermultiplet as a microscopic theory. We compute its nonlinear nonballistic quark-charge conductivity by using the AdS/CFT correspondence. We find that the system exhibits a novel nonequilibrium first-order phase transition where the conductivity jumps and the sign of the differential conductivity flips at finite current density. A nonequilibrium critical point is discovered at the end point of the first-order regime. We propose a nonequilibrium steady-state analogue of thermodynamic potential in terms of the gravity-dual theory in order to define the transition point. Nonequilibrium analogues of critical exponents are proposed as well. The critical behavior of the conductivity is numerically confirmed on the basis of these proposals. The present work provides a new example of nonequilibrium phase transitions and nonequilibrium critical points.

  6. Quantitative Phase-Change Thermodynamics and Metastability of Perovskite-Phase Cesium Lead Iodide.

    PubMed

    Dastidar, Subham; Hawley, Christopher J; Dillon, Andrew D; Gutierrez-Perez, Alejandro D; Spanier, Jonathan E; Fafarman, Aaron T

    2017-03-16

    The perovskite phase of cesium lead iodide (α-CsPbI3 or "black" phase) possesses favorable optoelectronic properties for photovoltaic applications. However, the stable phase at room temperature is a nonfunctional "yellow" phase (δ-CsPbI3). Black-phase polycrystalline thin films are synthesized above 330 °C and rapidly quenched to room temperature, retaining their phase in a metastable state. Using differential scanning calorimetry, it is shown herein that the metastable state is maintained in the absence of moisture, up to a temperature of 100 °C, and a reversible phase-change enthalpy of 14.2 (±0.5) kJ/mol is observed. The presence of atmospheric moisture hastens the black-to-yellow conversion kinetics without significantly changing the enthalpy of the transition, indicating a catalytic effect, rather than a change in equilibrium due to water adduct formation. These results delineate the conditions for trapping the desired phase and highlight the significant magnitude of the entropic stabilization of this phase.

  7. Infinite-noise criticality: Nonequilibrium phase transitions in fluctuating environments

    NASA Astrophysics Data System (ADS)

    Vojta, Thomas; Hoyos, José A.

    2015-11-01

    We study the effects of time-varying environmental noise on nonequilibrium phase transitions in spreading and growth processes. Using the examples of the logistic evolution equation as well as the contact process, we show that such temporal disorder gives rise to a distinct type of critical points at which the effective noise amplitude diverges on long time scales. This leads to enormous density fluctuations characterized by an infinitely broad probability distribution at criticality. We develop a real-time renormalization-group theory that provides a general framework for the effects of temporal disorder on nonequilibrium processes. We also discuss how general this exotic critical behavior is, we illustrate the results by computer simulations, and we touch upon experimental applications of our theory.

  8. Infinite-noise criticality: Nonequilibrium phase transitions in fluctuating environments

    NASA Astrophysics Data System (ADS)

    Vojta, Thomas; Hoyos, Jose

    We study the effects of time-varying environmental noise on nonequilibrium phase transitions in spreading and growth processes. Using the examples of the logistic evolution equation as well as the contact process, we show that such temporal disorder gives rise to a distinct type of critical points at which the effective noise amplitude diverges on long time scales. This leads to enormous density fluctuations characterized by an infinitely broad probability distribution at criticality. We develop a real-time renormalization-group theory that provides a general framework for the effects of temporal disorder on nonequilibrium processes. We also discuss how general this exotic critical behavior is, we illustrate the results by computer simulations, and we touch upon experimental applications of our theory. Supported by the NSF under Grant No. DMR-1205803, by Simons Foundation, by FAPESP under Grant No. 2013/09850-7, and by CNPq under Grant Nos. 590093/2011-8 and 305261/2012-6.

  9. Observation of Well-ordered Metastable Vortex Lattice Phases in Superconducting MgB2 Using Small-Angle Neutron Scattering

    SciTech Connect

    Das, Pinaki; Rastovski, Catherine; O'Brien, Timothy; Schlesinger, Kimberly; Dewhurst, Charles; Debeer-Schmitt, Lisa M; Zhigadlo, Nikolai; Karpinski, Janusz; Eskildsen, Morten

    2012-01-01

    The vortex lattice (VL) symmetry and orientation in clean type-II superconductors depends sensitively on the host material anisotropy, vortex density and temperature, frequently leading to rich phase diagrams. Typically, a well-ordered VL is taken to imply a ground-state configuration for the vortex-vortex interaction. Using neutron scattering we studied the VL in MgB2 for a number of field-temperature histories, discovering an unprecedented degree of metastability in connection with a known, second-order rotation transition. This allows, for the first time, structural studies of a well-ordered, nonequilibrium VL. While the mechanism responsible for the longevity of the metastable states is not resolved, we speculate it is due to a jamming of VL domains, preventing a rotation to the ground-state orientation.

  10. Optical Properties in Non-equilibrium Phase Transitions

    SciTech Connect

    Ao, T; Ping, Y; Widmann, K; Price, D F; Lee, E; Tam, H; Springer, P T; Ng, A

    2006-01-05

    An open question about the dynamical behavior of materials is how phase transition occurs in highly non-equilibrium systems. One important class of study is the excitation of a solid by an ultrafast, intense laser. The preferential heating of electrons by the laser field gives rise to initial states dominated by hot electrons in a cold lattice. Using a femtosecond laser pump-probe approach, we have followed the temporal evolution of the optical properties of such a system. The results show interesting correlation to non-thermal melting and lattice disordering processes. They also reveal a liquid-plasma transition when the lattice energy density reaches a critical value.

  11. Discovery of a metastable Al20Sm4 phase

    SciTech Connect

    Ye, Z.; Zhang, F.; Sun, Y.; Mendelev, M. I.; Ott, R. T.; Park, E.; Besser, M. F.; Kramer, M. J.; Ding, Z.; Wang, C. -Z.; Ho, K. -M.

    2015-03-09

    In this study, we present an efficient genetic algorithm, integrated with experimental diffraction data, to solve a nanoscale metastable Al20Sm4 phase that evolves during crystallization of an amorphous magnetron sputtered Al90Sm10 alloy. The excellent match between calculated and experimental X-ray diffraction patterns confirms an accurate description of this metastable phase. Molecular dynamic simulations of crystal growth from the liquid phase predict the formation of disordered defects in the devitrified crystal.

  12. Formation and Stabilization of Single-Crystalline Metastable AuGe Phases in Ge Nanowires

    SciTech Connect

    Sutter, E.; Sutter, P.

    2011-07-22

    We use in situ observations by variable temperature transmission electron microscopy on AuGe alloy drops at the tips of Ge nanowires (NWs) with systematically varying composition to demonstrate the controlled formation of metastable solid phases integrated in NWs. The process, which operates in the regime of vapor-liquid-solid growth, involves a size-dependent depression of the alloy liquidus at the nanoscale that leads to extremely Ge-rich AuGe melts at low temperatures. During slow cooling, these liquid AuGe alloy drops show pronounced departures from equilibrium, i.e., a frustrated phase separation of Ge into the adjacent solid NW, and ultimately crystallize as single-crystalline segments of metastable {gamma}-AuGe. Our findings demonstrate a general avenue for synthesizing NW heterostructures containing stable and metastable solid phases, applicable to a wide range of materials of which NWs form by the vapor-liquid-solid method.

  13. Optimization of crystal nucleation close to a metastable fluid-fluid phase transition

    PubMed Central

    Wedekind, Jan; Xu, Limei; Buldyrev, Sergey V.; Stanley, H. Eugene; Reguera, David; Franzese, Giancarlo

    2015-01-01

    The presence of a metastable fluid-fluid critical point is thought to dramatically influence the crystallization pathway, increasing the nucleation rate by many orders of magnitude over the predictions of classical nucleation theory. We use molecular dynamics simulations to study the kinetics of crystallization in the vicinity of this metastable critical point and throughout the metastable fluid-fluid phase diagram. To quantitatively understand how the fluid-fluid phase separation affects the crystal nucleation, we evaluate accurately the kinetics and reconstruct the thermodynamic free-energy landscape of crystal formation. Contrary to expectations, we find no special advantage of the proximity of the metastable critical point on the crystallization rates. However, we find that the ultrafast formation of a dense liquid phase causes the crystallization to accelerate both near the metastable critical point and almost everywhere below the fluid-fluid spinodal line. These results unveil three different scenarios for crystallization that could guide the optimization of the process in experiments PMID:26095898

  14. Phase Transition and Dynamics in Imidazolium-Based Ionic Liquid Crystals through a Metastable Highly Ordered Smectic Phase.

    PubMed

    Nozaki, Yoko; Yamaguchi, Keito; Tomida, Kenji; Taniguchi, Natsumi; Hara, Hironori; Takikawa, Yoshinori; Sadakane, Koichiro; Nakamura, Kenji; Konishi, Takashi; Fukao, Koji

    2016-06-16

    The phase transition behavior and dynamics of ionic liquid crystals, 1-methyl-3-alkylimidazolium tetrafluoroborate with various alkyl chain lengths, were investigated by X-ray scattering, differential scanning calorimetry, optical microscopy, and dielectric relaxation spectroscopy to elucidate the mechanism of their structural and phase changes. A metastable phase was found to appear via a supercooled smectic phase on cooling. In the metastable phase, disorder in the smectic phase is partially frozen; thus, the phase has order higher than that of the smectic phase but lower than that of the crystalline phase. During the subsequent heating process, the frozen disorder activates, and a crystalline phase appears in the supercooled smectic phase before entering the smectic phase. The relationship between the phase behavior and the dynamics of charge carriers such as ions is also discussed.

  15. 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.

  16. Photochemical solution processing of films of metastable phases for flexible devices: the β-Bi2O3 polymorph.

    PubMed

    Pérez-Mezcua, Dulce; Bretos, Iñigo; Jiménez, Ricardo; Ricote, Jesús; Jiménez-Rioboó, Rafael J; da Silva, Cosmelina Gonçalves; Chateigner, Daniel; Fuentes-Cobas, Luis; Sirera, Rafael; Calzada, M Lourdes

    2016-12-20

    The potential of UV-light for the photochemical synthesis and stabilization of non-equilibrium crystalline phases in thin films is demonstrated for the β-Bi2O3 polymorph. The pure β-Bi2O3 phase is thermodynamically stable at high temperature (450-667 °C), which limits its applications in devices. Here, a tailored UV-absorbing bismuth(III)-N-methyldiethanolamine complex is selected as an ideal precursor for this phase, in order to induce under UV-light the formation of a -Bi-O-Bi- continuous network in the deposited layers and the further conversion into the β-Bi2O3 polymorph at a temperature as low as 250 °C. The stabilization of the β-Bi2O3 films is confirmed by their conductivity behavior and a thorough characterization of their crystal structure. This is also supported by their remarkable photocatalytic activity. Besides, this processing method has allowed us for the first time the preparation of β-Bi2O3 films on flexible plastic substrates, which opens new opportunities for using these materials in potential applications not available until now (e.g., flexible photocatalytic reactors, self-cleaning surfaces or wearable antimicrobial fabrics). Therefore, photochemical solution deposition (PCSD) demonstrates to be not only an efficient approach for the low temperature processing of oxide films, but also an excellent alternative for the stabilization of metastable phases.

  17. Photochemical solution processing of films of metastable phases for flexible devices: the β-Bi2O3 polymorph

    NASA Astrophysics Data System (ADS)

    Pérez-Mezcua, Dulce; Bretos, Iñigo; Jiménez, Ricardo; Ricote, Jesús; Jiménez-Rioboó, Rafael J.; da Silva, Cosmelina Gonçalves; Chateigner, Daniel; Fuentes-Cobas, Luis; Sirera, Rafael; Calzada, M. Lourdes

    2016-12-01

    The potential of UV-light for the photochemical synthesis and stabilization of non-equilibrium crystalline phases in thin films is demonstrated for the β-Bi2O3 polymorph. The pure β-Bi2O3 phase is thermodynamically stable at high temperature (450–667 °C), which limits its applications in devices. Here, a tailored UV-absorbing bismuth(III)-N-methyldiethanolamine complex is selected as an ideal precursor for this phase, in order to induce under UV-light the formation of a –Bi–O–Bi– continuous network in the deposited layers and the further conversion into the β-Bi2O3 polymorph at a temperature as low as 250 °C. The stabilization of the β-Bi2O3 films is confirmed by their conductivity behavior and a thorough characterization of their crystal structure. This is also supported by their remarkable photocatalytic activity. Besides, this processing method has allowed us for the first time the preparation of β-Bi2O3 films on flexible plastic substrates, which opens new opportunities for using these materials in potential applications not available until now (e.g., flexible photocatalytic reactors, self-cleaning surfaces or wearable antimicrobial fabrics). Therefore, photochemical solution deposition (PCSD) demonstrates to be not only an efficient approach for the low temperature processing of oxide films, but also an excellent alternative for the stabilization of metastable phases.

  18. Photochemical solution processing of films of metastable phases for flexible devices: the β-Bi2O3 polymorph

    PubMed Central

    Pérez-Mezcua, Dulce; Bretos, Iñigo; Jiménez, Ricardo; Ricote, Jesús; Jiménez-Rioboó, Rafael J.; da Silva, Cosmelina Gonçalves; Chateigner, Daniel; Fuentes-Cobas, Luis; Sirera, Rafael; Calzada, M. Lourdes

    2016-01-01

    The potential of UV-light for the photochemical synthesis and stabilization of non-equilibrium crystalline phases in thin films is demonstrated for the β-Bi2O3 polymorph. The pure β-Bi2O3 phase is thermodynamically stable at high temperature (450–667 °C), which limits its applications in devices. Here, a tailored UV-absorbing bismuth(III)-N-methyldiethanolamine complex is selected as an ideal precursor for this phase, in order to induce under UV-light the formation of a –Bi–O–Bi– continuous network in the deposited layers and the further conversion into the β-Bi2O3 polymorph at a temperature as low as 250 °C. The stabilization of the β-Bi2O3 films is confirmed by their conductivity behavior and a thorough characterization of their crystal structure. This is also supported by their remarkable photocatalytic activity. Besides, this processing method has allowed us for the first time the preparation of β-Bi2O3 films on flexible plastic substrates, which opens new opportunities for using these materials in potential applications not available until now (e.g., flexible photocatalytic reactors, self-cleaning surfaces or wearable antimicrobial fabrics). Therefore, photochemical solution deposition (PCSD) demonstrates to be not only an efficient approach for the low temperature processing of oxide films, but also an excellent alternative for the stabilization of metastable phases. PMID:27996042

  19. Non-equilibrium phase transitions in a liquid crystal.

    PubMed

    Dan, K; Roy, M; Datta, A

    2015-09-07

    The present manuscript describes kinetic behaviour of the glass transition and non-equilibrium features of the "Nematic-Isotropic" (N-I) phase transition of a well known liquid crystalline material N-(4-methoxybenzylidene)-4-butylaniline from the effects of heating rate and initial temperature on the transitions, through differential scanning calorimetry (DSC), Fourier transform infrared and fluorescence spectroscopy. Around the vicinity of the glass transition temperature (Tg), while only a change in the baseline of the ΔCp vs T curve is observed for heating rate (β) > 5 K min(-1), consistent with a glass transition, a clear peak for β ≤ 5 K min(-1) and the rapid reduction in the ΔCp value from the former to the latter rate correspond to an order-disorder transition and a transition from ergodic to non-ergodic behaviour. The ln β vs 1000/T curve for the glass transition shows convex Arrhenius behaviour that can be explained very well by a purely entropic activation barrier [Dan et al., Eur. Phys. Lett. 108, 36007 (2014)]. Fourier transform infrared spectroscopy indicates sudden freezing of the out-of-plane distortion vibrations of the benzene rings around the glass transition temperature and a considerable red shift indicating enhanced coplanarity of the benzene rings and, consequently, enhancement in the molecular ordering compared to room temperature. We further provide a direct experimental evidence of the non-equilibrium nature of the N-I transition through the dependence of this transition temperature (TNI) and associated enthalpy change (ΔH) on the initial temperature (at fixed β-values) for the DSC scans. A plausible qualitative explanation based on Mesquita's extension of Landau-deGennes theory [O. N. de Mesquita, Braz. J. Phys. 28, 257 (1998)] has been put forward. The change in the molecular ordering from nematic to isotropic phase has been investigated through fluorescence anisotropy measurements where the order parameter, quantified by the

  20. Non-equilibrium phase transitions in a liquid crystal

    NASA Astrophysics Data System (ADS)

    Dan, K.; Roy, M.; Datta, A.

    2015-09-01

    The present manuscript describes kinetic behaviour of the glass transition and non-equilibrium features of the "Nematic-Isotropic" (N-I) phase transition of a well known liquid crystalline material N-(4-methoxybenzylidene)-4-butylaniline from the effects of heating rate and initial temperature on the transitions, through differential scanning calorimetry (DSC), Fourier transform infrared and fluorescence spectroscopy. Around the vicinity of the glass transition temperature (Tg), while only a change in the baseline of the ΔCp vs T curve is observed for heating rate (β) > 5 K min-1, consistent with a glass transition, a clear peak for β ≤ 5 K min-1 and the rapid reduction in the ΔCp value from the former to the latter rate correspond to an order-disorder transition and a transition from ergodic to non-ergodic behaviour. The ln β vs 1000/T curve for the glass transition shows convex Arrhenius behaviour that can be explained very well by a purely entropic activation barrier [Dan et al., Eur. Phys. Lett. 108, 36007 (2014)]. Fourier transform infrared spectroscopy indicates sudden freezing of the out-of-plane distortion vibrations of the benzene rings around the glass transition temperature and a considerable red shift indicating enhanced coplanarity of the benzene rings and, consequently, enhancement in the molecular ordering compared to room temperature. We further provide a direct experimental evidence of the non-equilibrium nature of the N-I transition through the dependence of this transition temperature (TNI) and associated enthalpy change (ΔH) on the initial temperature (at fixed β-values) for the DSC scans. A plausible qualitative explanation based on Mesquita's extension of Landau-deGennes theory [O. N. de Mesquita, Braz. J. Phys. 28, 257 (1998)] has been put forward. The change in the molecular ordering from nematic to isotropic phase has been investigated through fluorescence anisotropy measurements where the order parameter, quantified by the

  1. Metastable phases in Zr-Excel alloy and their stability under heavy ion (Kr2+) irradiation

    NASA Astrophysics Data System (ADS)

    Yu, Hongbing; Zhang, Ken; Yao, Zhongwen; Kirk, Mark A.; Long, Fei; Daymond, Mark R.

    2016-02-01

    Zr-Excel alloy (Zr-3.5Sn-0.8Nb-0.8Mo, wt.%) has been proposed as a candidate material of pressure tubes in the CANDU-SCWR design. It is a dual-phase alloy containing primary hcp α-Zr and metastable bcc β-Zr. Metastable hexagonal ω-Zr phase could form in β-Zr as a result of aging during the processing of the tube. A synchrotron X-ray study was employed to study the lattice properties of the metastable phases in as-received Zr-Excel pressure tube material. In situ heavy ion (1 MeV Kr2+) irradiations were carried out at 200 °C and 450 °C to emulate the stability of the metastable phase under a reactor environment. Quantitative Chemi-STEM EDS analysis was conducted on both un-irradiated and irradiated samples to investigate alloying element redistribution induced by heavy ion irradiation. It was found that no decomposition of β-Zr was observed under irradiation at both 200 °C and 450 °C. However, ω-Zr particles experienced shape changes and shrinkage associated with enrichment of Fe at the β/ω interface during 200 °C irradiation but not at 450 °C. There is a noticeable increase in the level of Fe in the α matrix after irradiation at both 200 °C and 450 °C. The concentrations of Nb, Mo and Fe are increased in the ω phase but decreased in the β phase at 200 °C. The stability of metastable phases under heavy ion irradiation associated with elemental redistribution is discussed.

  2. Nonequilibrium photons as a signature of quark-hadron phase transition

    NASA Astrophysics Data System (ADS)

    Lee, Da-Shin; Ng, Kin-Wang

    1999-03-01

    We study the nonequilibrium photon production in the quark-hadron phase transition, using the Friedberg-Lee type solitons as a working model for quark-hadron physics. We propose that to search for nonequilibrium photons in the direct photon measurements of heavy-ion collisions may be a characteristic test of the transition from the quark-gluon to hadronic phases.

  3. Super-stable ultrafine beta-tungsten nanocrystals with metastable phase and related magnetism.

    PubMed

    Xiao, J; Liu, P; Liang, Y; Li, H B; Yang, G W

    2013-02-07

    Ultrafine tungsten nanocrystals (average size of 3 nm) with a metastable phase (beta-tungsten with A15 structure, β-W) have been prepared by laser ablation of tungsten in liquid nitrogen. The as-prepared metastable nanocrystals exhibited super-stablity, and can keep the same metastable structure over a period of 6 months at room temperature. This super-stability is attributed to the nanosized confinement effect of ultrafine nanocrystals. The magnetism measurements showed that the β-W nanocrystals have weak ferromagnetic properties at 2 K, which may arise from surface defects and unpaired electrons on the surface of the ultrafine nanocrystals. These findings provided useful information for the application of ultrafine β-W nanocrystals in microelectronics and spintronics.

  4. Metastable mantle phase transformations and deep earthquakes in subducting oceanic lithosphere

    USGS Publications Warehouse

    Kirby, S.H.; Stein, S.; Okal, E.A.; Rubie, David C.

    1996-01-01

    Earth's deepest earthquakes occur as a population in subducting or previously subducted lithosphere at depths ranging from about 325 to 690 km. This depth interval closely brackets the mantle transition zone, characterized by rapid seismic velocity increases resulting from the transformation of upper mantle minerals to higher-pressure phases. Deep earthquakes thus provide the primary direct evidence for subduction of the lithosphere to these depths and allow us to investigate the deep thermal, thermodynamic, and mechanical ferment inside slabs. Numerical simulations of reaction rates show that the olivine ??? spinel transformation should be kinetically hindered in old, cold slabs descending into the transition zone. Thus wedge-shaped zones of metastable peridotite probably persist to depths of more than 600 km. Laboratory deformation experiments on some metastable minerals display a shear instability called transformational faulting. This instability involves sudden failure by localized superplasticity in thin shear zones where the metastable host mineral transforms to a denser, finer-grained phase. Hence in cold slabs, such faulting is expected for the polymorphic reactions in which olivine transforms to the spinel structure and clinoenstatite transforms to ilmenite. It is thus natural to hypothesize that deep earthquakes result from transformational faulting in metastable peridotite wedges within cold slabs. This consideration of the mineralogical states of slabs augments the traditional largely thermal view of slab processes and explains some previously enigmatic slab features. It explains why deep seismicity occurs only in the approximate depth range of the mantle transition zone, where minerals in downgoing slabs should transform to spinel and ilmenite structures. The onset of deep shocks at about 325 km is consistent with the onset of metastability near the equilibrium phase boundary in the slab. Even if a slab penetrates into the lower mantle, earthquakes

  5. Phase diagram of KHF2 and non-equilibrium effects

    NASA Technical Reports Server (NTRS)

    Hobson, M. C.; Kellner, J. D.

    1978-01-01

    The equilibrium diagram for the KHF2-H2O system was constructed from cooling and heating curves for the compositions between 5 wt% and 40 wt% KHF2 and the results are shown. The phase diagrams shown is typical of that of a two component system with miscible liquid phases and whole solid phases consist of pure components. A eutectic point was found at approximately 15% KHF2 which remains completely liquid down to a temperature of -9.0 C. No hydrate formation was observed and no anomalous behavior such as the occurrence of solid transitions or metastable states was observed. The effect of rapid freezing on the equilibrium diagram did not appear, and cooling curves exhibited only one halt. Also, at rapid freezing rates, the supercooling of the solutions was smaller than those observed at the slow cooling rates. The existence of a eutectic composition and the slow rate of dissolution of the salt are used to interpret heat absorption behavior in practical applications of the KHF2-H2O system.

  6. Unstable dynamics, nonequilibrium phases, and criticality in networked excitable media

    SciTech Connect

    Franciscis, S. de; Torres, J. J.; Marro, J.

    2010-10-15

    Excitable systems are of great theoretical and practical interest in mathematics, physics, chemistry, and biology. Here, we numerically study models of excitable media, namely, networks whose nodes may occasionally be dormant and the connection weights are allowed to vary with the system activity on a short-time scale, which is a convenient and realistic representation. The resulting global activity is quite sensitive to stimuli and eventually becomes unstable also in the absence of any stimuli. Outstanding consequences of such unstable dynamics are the spontaneous occurrence of various nonequilibrium phases--including associative-memory phases and one in which the global activity wanders irregularly, e.g., chaotically among all or part of the dynamic attractors--and 1/f noise as the system is driven into the phase region corresponding to the most irregular behavior. A net result is resilience which results in an efficient search in the model attractor space that can explain the origin of some observed behavior in neural, genetic, and ill-condensed matter systems. By extensive computer simulation we also address a previously conjectured relation between observed power-law distributions and the possible occurrence of a ''critical state'' during functionality of, e.g., cortical networks, and describe the precise nature of such criticality in the model which may serve to guide future experiments.

  7. Unstable dynamics, nonequilibrium phases, and criticality in networked excitable media.

    PubMed

    de Franciscis, S; Torres, J J; Marro, J

    2010-10-01

    Excitable systems are of great theoretical and practical interest in mathematics, physics, chemistry, and biology. Here, we numerically study models of excitable media, namely, networks whose nodes may occasionally be dormant and the connection weights are allowed to vary with the system activity on a short-time scale, which is a convenient and realistic representation. The resulting global activity is quite sensitive to stimuli and eventually becomes unstable also in the absence of any stimuli. Outstanding consequences of such unstable dynamics are the spontaneous occurrence of various nonequilibrium phases--including associative-memory phases and one in which the global activity wanders irregularly, e.g., chaotically among all or part of the dynamic attractors--and 1/f noise as the system is driven into the phase region corresponding to the most irregular behavior. A net result is resilience which results in an efficient search in the model attractor space that can explain the origin of some observed behavior in neural, genetic, and ill-condensed matter systems. By extensive computer simulation we also address a previously conjectured relation between observed power-law distributions and the possible occurrence of a "critical state" during functionality of, e.g., cortical networks, and describe the precise nature of such criticality in the model which may serve to guide future experiments.

  8. Non-equilibrium fluctuations and metastability arising from non-additive interactions in dissipative multi-component Rydberg gases

    NASA Astrophysics Data System (ADS)

    Gutiérrez, Ricardo; Garrahan, Juan P.; Lesanovsky, Igor

    2016-09-01

    We study the out-of-equilibrium dynamics of dissipative gases of atoms excited to two or more high-lying Rydberg states. This situation bears interesting similarities to classical binary (in general p-ary) mixtures of particles. The effective forces between the components are determined by the inter-level and intra-level interactions of Rydberg atoms. These systems permit to explore new parameter regimes which are physically inaccessible in a classical setting, for example one in which the mixtures exhibit non-additive interactions. In this situation the out-of-equilibrium evolution is characterized by the formation of metastable domains that reach partial equilibration long before the attainment of stationarity. In experimental settings with mesoscopic sizes, this collective behavior may in fact take the appearance of dynamic symmetry breaking.

  9. Giant atomic displacement at a magnetic phase transition in metastable Mn3O4

    SciTech Connect

    Hirai, Shigeto; Moreira Dos Santos, Antonio F; Shapiro, Max C; Molaison, Jamie J; Pradhan, Neelam; Guthrie, Malcolm; Tulk, Christopher A; Fisher, Ian R; Mao, Wendy

    2013-01-01

    We present x-ray, neutron scattering, and heat capacity data that reveal a coupled first-order magnetic and structural phase transition of the metastable mixed-valence postspinel compound Mn3O4 at 210 K. Powder neutron diffraction measurements reveal a magnetic structure in which Mn3+ spins align antiferromagnetically along the edge-sharing a axis, with a magnetic propagation vector k = [1/2,0,0]. In contrast, the Mn2+ spins, which are geometrically frustrated, do not order until a much lower temperature. Although the Mn2+ spins do not directly participate in the magnetic phase transition at 210 K, structural refinements reveal a large atomic shift at this phase transition, corresponding to a physical motion of approximately 0.25 angstrom, even though the crystal symmetry remains unchanged. This "giant" response is due to the coupled effect of built-in strain in the metastable postspinel structure with the orbital realignment of the Mn3+ ion.

  10. Metastability in an open quantum Ising model.

    PubMed

    Rose, Dominic C; Macieszczak, Katarzyna; Lesanovsky, Igor; Garrahan, Juan P

    2016-11-01

    We apply a recently developed theory for metastability in open quantum systems to a one-dimensional dissipative quantum Ising model. Earlier results suggest this model features either a nonequilibrium phase transition or a smooth but sharp crossover, where the stationary state changes from paramagnetic to ferromagnetic, accompanied by strongly intermittent emission dynamics characteristic of first-order coexistence between dynamical phases. We show that for a range of parameters close to this transition or crossover point the dynamics of the finite system displays pronounced metastability, i.e., the system relaxes first to long-lived metastable states before eventual relaxation to the true stationary state. From the spectral properties of the quantum master operator we characterize the low-dimensional manifold of metastable states, which are shown to be probability mixtures of two, paramagnetic and ferromagnetic, metastable phases. We also show that for long times the dynamics can be approximated by a classical stochastic dynamics between the metastable phases that is directly related to the intermittent dynamics observed in quantum trajectories and thus the dynamical phases.

  11. Metastability in an open quantum Ising model

    NASA Astrophysics Data System (ADS)

    Rose, Dominic C.; Macieszczak, Katarzyna; Lesanovsky, Igor; Garrahan, Juan P.

    2016-11-01

    We apply a recently developed theory for metastability in open quantum systems to a one-dimensional dissipative quantum Ising model. Earlier results suggest this model features either a nonequilibrium phase transition or a smooth but sharp crossover, where the stationary state changes from paramagnetic to ferromagnetic, accompanied by strongly intermittent emission dynamics characteristic of first-order coexistence between dynamical phases. We show that for a range of parameters close to this transition or crossover point the dynamics of the finite system displays pronounced metastability, i.e., the system relaxes first to long-lived metastable states before eventual relaxation to the true stationary state. From the spectral properties of the quantum master operator we characterize the low-dimensional manifold of metastable states, which are shown to be probability mixtures of two, paramagnetic and ferromagnetic, metastable phases. We also show that for long times the dynamics can be approximated by a classical stochastic dynamics between the metastable phases that is directly related to the intermittent dynamics observed in quantum trajectories and thus the dynamical phases.

  12. Nonequilibrium phase transformations in bcc titanium and niobium alloys

    NASA Astrophysics Data System (ADS)

    Doherty, Kevin James

    The major goal throughout this entire study was to find a bulk beta-titanium amorphous system. In this case, the feasibility of bulk amorphization by destabilizing the crystalline phase in bcc titanium alloys is developed. The binary Ti-Cr system was previously reported, by others, to undergo spontaneous vitrification. This work was later proven to be irreproducible by several other groups. With the proper alloying additions to the Ti-Cr system, the resultant bcc matrix is extremely unstable, however, the formation of alpha, o, and intermetallics is inhibited. Powders of the complex system Ti65Cr13Cu 16Mn4Fe2 transform to a fully amorphous structure after just 3 to 4 hours of mechanical milling. In bulk, this system forms nanoscale disordered regions, totaling 20 to 30% of the microstructure, upon annealing of the metastable bcc phase. The phase separation, beta → beta + beta' accompanies this transformation and induces strain into the matrix. Analytical high resolution transmission electron microscopy (TEM) is used to characterize the decomposition behavior by obtaining physical measurements of the microstructure and chemistry, and to determine the mechanism of the phase separation. High resolution and analytical TEM data map the development of successive chromium rich (copper poor) and chromium poor (copper rich) regions formed in <100> directions during heat treatment. This reaction is shown to occur by spinodal decomposition. A known bcc, binary spinodal decomposition system, Nb-Zr, was chosen as a reference system to verify the spinodal mechanism in the 5-component titanium system and to validate the use of analytical TEM to characterize spinodal decomposition. The Ti-Cr system is also investigated for comparison with the complex Ti-Cr-Cu-Mn-Fe system and to resolve some of the issues presented during the earlier spontaneous vitrification studies. Finally, a combination of high resolution TEM and chemical analysis is utilized to differentiate between the

  13. Crystallographic Stability of Metastable Phase Formed by Containerless Processing in REFeO3 (RE: Rare-Earth Element)

    NASA Technical Reports Server (NTRS)

    Kuribayashi, Kazuhiko; Kumar, M. S. Vijaya

    2012-01-01

    Undercooling a melt often facilitates a metastable phase to nucleate preferentially. Although the classical nucleation theory shows that the most critical factor for forming a metastable phase is the interface free energy, the crystallographic stability is also indispensable for the phase to be frozen at ambient temperature. In compound materials such as oxides, authors have suggested that the decisive factors for forming a critical nucleus are not only the free energy difference but also the difference of the entropy of fusion between stable and metastable phases. In the present study, using REFeO3 (RE: rare-earth element) as a model material, we investigate the formation of a metastable phase from undercooled melts with respect to the competitive nucleation and crystallographical stabilities of both phases.

  14. Metastable high-entropy dual-phase alloys overcome the strength-ductility trade-off.

    PubMed

    Li, Zhiming; Pradeep, Konda Gokuldoss; Deng, Yun; Raabe, Dierk; Tasan, Cemal Cem

    2016-06-09

    Metals have been mankind's most essential materials for thousands of years; however, their use is affected by ecological and economical concerns. Alloys with higher strength and ductility could alleviate some of these concerns by reducing weight and improving energy efficiency. However, most metallurgical mechanisms for increasing strength lead to ductility loss, an effect referred to as the strength-ductility trade-off. Here we present a metastability-engineering strategy in which we design nanostructured, bulk high-entropy alloys with multiple compositionally equivalent high-entropy phases. High-entropy alloys were originally proposed to benefit from phase stabilization through entropy maximization. Yet here, motivated by recent work that relaxes the strict restrictions on high-entropy alloy compositions by demonstrating the weakness of this connection, the concept is overturned. We decrease phase stability to achieve two key benefits: interface hardening due to a dual-phase microstructure (resulting from reduced thermal stability of the high-temperature phase); and transformation-induced hardening (resulting from the reduced mechanical stability of the room-temperature phase). This combines the best of two worlds: extensive hardening due to the decreased phase stability known from advanced steels and massive solid-solution strengthening of high-entropy alloys. In our transformation-induced plasticity-assisted, dual-phase high-entropy alloy (TRIP-DP-HEA), these two contributions lead respectively to enhanced trans-grain and inter-grain slip resistance, and hence, increased strength. Moreover, the increased strain hardening capacity that is enabled by dislocation hardening of the stable phase and transformation-induced hardening of the metastable phase produces increased ductility. This combined increase in strength and ductility distinguishes the TRIP-DP-HEA alloy from other recently developed structural materials. This metastability-engineering strategy should

  15. Metastable high-entropy dual-phase alloys overcome the strength-ductility trade-off

    NASA Astrophysics Data System (ADS)

    Li, Zhiming; Pradeep, Konda Gokuldoss; Deng, Yun; Raabe, Dierk; Tasan, Cemal Cem

    2016-06-01

    Metals have been mankind’s most essential materials for thousands of years; however, their use is affected by ecological and economical concerns. Alloys with higher strength and ductility could alleviate some of these concerns by reducing weight and improving energy efficiency. However, most metallurgical mechanisms for increasing strength lead to ductility loss, an effect referred to as the strength-ductility trade-off. Here we present a metastability-engineering strategy in which we design nanostructured, bulk high-entropy alloys with multiple compositionally equivalent high-entropy phases. High-entropy alloys were originally proposed to benefit from phase stabilization through entropy maximization. Yet here, motivated by recent work that relaxes the strict restrictions on high-entropy alloy compositions by demonstrating the weakness of this connection, the concept is overturned. We decrease phase stability to achieve two key benefits: interface hardening due to a dual-phase microstructure (resulting from reduced thermal stability of the high-temperature phase); and transformation-induced hardening (resulting from the reduced mechanical stability of the room-temperature phase). This combines the best of two worlds: extensive hardening due to the decreased phase stability known from advanced steels and massive solid-solution strengthening of high-entropy alloys. In our transformation-induced plasticity-assisted, dual-phase high-entropy alloy (TRIP-DP-HEA), these two contributions lead respectively to enhanced trans-grain and inter-grain slip resistance, and hence, increased strength. Moreover, the increased strain hardening capacity that is enabled by dislocation hardening of the stable phase and transformation-induced hardening of the metastable phase produces increased ductility. This combined increase in strength and ductility distinguishes the TRIP-DP-HEA alloy from other recently developed structural materials. This metastability-engineering strategy should

  16. Non-equilibrium phase behavior and friction of confined molecular films under shear: A non-equilibrium molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Maćkowiak, Sz.; Heyes, D. M.; Dini, D.; Brańka, A. C.

    2016-10-01

    The phase behavior of a confined liquid at high pressure and shear rate, such as is found in elastohydrodynamic lubrication, can influence the traction characteristics in machine operation. Generic aspects of this behavior are investigated here using Non-equilibrium Molecular Dynamics (NEMD) simulations of confined Lennard-Jones (LJ) films under load with a recently proposed wall-driven shearing method without wall atom tethering [C. Gattinoni et al., Phys. Rev. E 90, 043302 (2014)]. The focus is on thick films in which the nonequilibrium phases formed in the confined region impact on the traction properties. The nonequilibrium phase and tribological diagrams are mapped out in detail as a function of load, wall sliding speed, and atomic scale surface roughness, which is shown can have a significant effect. The transition between these phases is typically not sharp as the external conditions are varied. The magnitude of the friction coefficient depends strongly on the nonequilibrium phase adopted by the confined region of molecules, and in general does not follow the classical friction relations between macroscopic bodies, e.g., the frictional force can decrease with increasing load in the Plug-Slip (PS) region of the phase diagram owing to structural changes induced in the confined film. The friction coefficient can be extremely low (˜0.01) in the PS region as a result of incommensurate alignment between a (100) face-centered cubic wall plane and reconstructed (111) layers of the confined region near the wall. It is possible to exploit hysteresis to retain low friction PS states well into the central localization high wall speed region of the phase diagram. Stick-slip behavior due to periodic in-plane melting of layers in the confined region and subsequent annealing is observed at low wall speeds and moderate external loads. At intermediate wall speeds and pressure values (at least) the friction coefficient decreases with increasing well depth of the LJ potential

  17. Plasma-enhanced chemical vapor deposition of β-tungsten, a metastable phase

    NASA Astrophysics Data System (ADS)

    Tang, C. C.; Hess, D. W.

    1984-09-01

    Plasma-enhanced chemical vapor deposition of a metastable phase of tungsten ( β-W) is performed using tungsten hexafluoride and hydrogen as source gases. At 350 °C, the as-deposited resistivity of these films is ˜50 μΩ cm. After heat treatments between 650 and 750 °C in forming gas, the resistivity drops below 11 μΩ cm. Concomitant with this resistivity change is a phase change to α-W, the equilibrium, body-centered-cubic form.

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

    SciTech Connect

    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.

  19. Containerless Solidification of Hexagonal Metastable Phases from an Undercooled R3Fe5O12 Melt

    NASA Astrophysics Data System (ADS)

    Kumar, Vijaya; Kentei Yu, Yu; Kameko, Masashi; Ishikawa, Takehiko; Kuribayashi, Kazuhiko; Yoda, Shinichi

    Containerless processing is a promising technique to explore the technologically important materials using rapid solidification of an undercooled melt because it provides large undercooling prior to nucleation. In the R-Fe-O system (R=Rare-earth element), rare-earth iron garnet (R3 Fe5 O12 ) can be formed through a peritectic reaction between RFeO3 , which is a primary phase, and a melt, which contains more Fe2 O3 than the R3 Fe5 O12 composition. The iron garnet is know to become unstable with increasing ionic radius of the rare-earth ion from Lu to Sm and does not exist in a stable form in La, Pr, and Nd [1,2]. Recently, we investigated the effect of oxygen partial pressure Po2 on metastable phase formation from an undercooled RFeO3 melt through containerless solidification. On the other hand, Po2 was considered to be one of the most important thermodynamic parameters which control phase constituents during containerless processing. In the R-Fe-O system, multiferroic hexagonal RFeO3 (P63 cm) and Fe2+ -containing ferroelectric phases such as RFe2 O4 (r-R3m) and new hexagonal R3 Fe2 O7 (P63 /mmc) phases were obtained metastably with decreasing Po2 from 105 to 10-1 Pa [3,4]. However, in the R3 Fe5 O12 system, the effect of Po2 during rapid solidification has not been studied yet. The purpose of this study is to elucidate the effect of Po2 on the formation of metastable phases from an undercooled R3 Fe5 O12 melt under controlled Po2 using gas-jet levitation technique. In order to undercool the melt deeply below the melting temperature under a precisely con-trolled oxygen partial pressure, an aerodynamic levitator (ADL) combined with ZrO2 oxygen sensor was designed. A spherical R3 Fe5 O12 sample was levitated by an ADL and completely melted by a CO2 laser in an atmosphere with predetermined Po2 . The surface temperature of the levitated droplet was monitored by a two-color pyrometer. Then, the droplet was cooled by turning off the CO2 laser. Meanwhile, the recalescence

  20. Kinetic-arrest-induced phase coexistence and metastability in (Mn,Fe ) 2(P ,Si )

    NASA Astrophysics Data System (ADS)

    Miao, X. F.; Mitsui, Y.; Dugulan, A. Iulian; Caron, L.; Thang, N. V.; Manuel, P.; Koyama, K.; Takahashi, K.; van Dijk, N. H.; Brück, E.

    2016-09-01

    Neutron diffraction, Mössbauer spectroscopy, magnetometry, and in-field x-ray diffraction are employed to investigate the magnetoelastic phase transition in hexagonal (Mn,Fe ) 2(P ,Si ) compounds. (Mn,Fe ) 2(P ,Si ) compounds undergo for certain compositions a second-order paramagnetic (PM) to a spin-density-wave (SDW) phase transition before further transforming into a ferromagnetic (FM) phase via a first-order phase transition. The SDW-FM transition can be kinetically arrested, causing the coexistence of FM and untransformed SDW phases at low temperatures. Our in-field x-ray diffraction and magnetic relaxation measurements clearly reveal the metastability of the untransformed SDW phase. This unusual magnetic configuration originates from the strong magnetoelastic coupling and the mixed magnetism in hexagonal (Mn,Fe ) 2(P ,Si ) compounds.

  1. Study the formation of metastable crystalline phases from amorphous metallic systems with an integrated approach

    NASA Astrophysics Data System (ADS)

    Ye, Zhuo; Zhang, Feng; Sun, Yang; Mendelev, Mikhail; Ott, Ryan; Park, Eun-Soo; Besser, Matt; Kramer, Matt; Wang, Cai-Zhuang; Ho, Kai-Ming

    2015-03-01

    An efficient genetic algorithm (GA) is integrated with experimental diffraction data to solve a metastable Al20Sm4 phase that evolves during rapid solidification of an amorphous Al-10%Sm alloy produced by magnetron sputtering. The excellent match between calculated and experimental X-ray diffraction patterns confirms that this new phase appeared in the crystallization of the alloy. We discover the strong similarity of the underlying atomic structure between the amorphous alloy and this phase. Both phases share the same Sm-centered motif, providing a low-barrier pathway to form this Al20Sm4phase in the glass matrix at low temperatures. Molecular dynamic simulations of crystal growth from the liquid phase predict the formation of disordered anti-site defects in the devitrified crystal.

  2. Magnetic properties of a metastable Sm-Fe phase synthesized by selectively thermalized sputtering

    NASA Astrophysics Data System (ADS)

    Cadieu, F. J.; Cheung, T. D.; Wickramasekara, L.; Aly, S. H.

    1984-03-01

    Samples of the Sm-Fe system have been directly crystallized onto heated substrates by selectively thermalized sputtering. Films of the pure Sm-Fe system exhibit only the 1-2, 1-3, and 2-17 phases which correspond to the bulk system. But samples synthesized with certain third element additions of oxygen and titanium exhibit a metastable phase at a composition corresponding to a 1-5 Sm-Fe compound. These samples exhibit well defined and reasonable sharp X-ray diffraction patterns. Room-temperature intrinsic coercive forces of 6.2 kOe and static energy products of 5.5 MG Oe have been observed. These results are for the demagnetizing field in the plane of the thin film samples and no demagnetizing factor has been used in obtaining the inplane B field. Samples synthesized in the presence of an inplane magnetic field at 600 C exhibit an inplane anisotropy which indicates the Curie point of this Ti-stabilized SmFe5 phase should be greater than 600 C. Film samples of the pure Sm-Fe system which do not show a metastable phase generally have low intrinsic coercive forces and consequently low energy products.

  3. Directing the self-assembly of block copolymers into a metastable complex network phase via a deep and rapid quench.

    PubMed

    Müller, Marcus; Sun, De-Wen

    2013-12-27

    The free-energy landscape of self-assembling block copolymer systems is characterized by a multitude of metastable minima. Using particle-based simulations of a soft, coarse-grained model, we explore opportunities to reproducibly direct the spontaneous ordering of these self-assembling systems into a metastable complex network morphology--specifically, Schoen's I-WP periodic minimal surface--starting from a highly unstable state that is generated by a rapid expansion. This process-directed self-assembly provides an alternative to fine-tuning molecular architecture or blending for fabricating complex network structures. Comparing our particle-based simulation results to recently developed free-energy techniques, we critically assess their ability to predict spontaneous formation and highlight the importance of nonequilibrium molecular conformations in the starting state and the local conservation of density.

  4. Optical phase information writing and storage in populations of metastable quantum states

    SciTech Connect

    Djotyan, G. P.; Sandor, N.; Bakos, J. S.; Soerlei, Zs.

    2009-10-15

    We propose a scheme for robust writing and storage of optical phase information in populations of metastable states of the atoms with a tripod structure of levels by using frequency-chirped laser pulses. The method provides much longer storage times compared with the schemes based on the collective atomic spin coherences. A negligible excitation of the atom provides immunity to decoherence induced by decay of the excited states. The method is robust against small-to-medium variations in the laser pulse intensity and speed of the chirp and, being insensitive to resonance conditions, it is effective both in homogeneously and inhomogeneously broadened media.

  5. Metastable phase formation in the Au-Si system via ultrafast nanocalorimetry

    NASA Astrophysics Data System (ADS)

    Zhang, M.; Wen, J. G.; Efremov, M. Y.; Olson, E. A.; Zhang, Z. S.; Hu, L.; de la Rama, L. P.; Kummamuru, R.; Kavanagh, K. L.; Ma, Z.; Allen, L. H.

    2012-05-01

    We have investigated the stability and solidification of nanometer size Au-Si droplets using an ultrafast heating/cooling nanocalorimetry and in situ growth techniques. The liquid can be supercooled to very low temperatures for both Au-rich (ΔT ˜ 95 K) and Si-rich (ΔT ˜ 220 K) samples. Solidification of a unique metastable phase δ1 is observed with a composition of 74 ± 4 at. % Au and a b-centered orthorhombic structure (a = 0.92, b = 0.72, and c = 1.35 nm; body-center in the a-c plane), which grows heteroepitaxially to Aus. Its melting temperature Tm is 305 ± 5 °C. There is competition during formation between the eutectic and δ1 phases but δ1 is the only metastable alloy observed. For small size droplets, both the δ1 and eutectic phases show considerable depression of the melting point (size-dependent melting).

  6. Depinning and nonequilibrium dynamic phases of particle assemblies driven over random and ordered substrates: a review

    NASA Astrophysics Data System (ADS)

    Reichhardt, C.; Olson Reichhardt, C. J.

    2017-02-01

    We review the depinning and nonequilibrium phases of collectively interacting particle systems driven over random or periodic substrates. This type of system is relevant to vortices in type-II superconductors, sliding charge density waves, electron crystals, colloids, stripe and pattern forming systems, and skyrmions, and could also have connections to jamming, glassy behaviors, and active matter. These systems are also ideal for exploring the broader issues of characterizing transient and steady state nonequilibrium flow phases as well as nonequilibrium phase transitions between distinct dynamical phases, analogous to phase transitions between different equilibrium states. We discuss the differences between elastic and plastic depinning on random substrates and the different types of nonequilibrium phases which are associated with specific features in the velocity-force curves, fluctuation spectra, scaling relations, and local or global particle ordering. We describe how these quantities can change depending on the dimension, anisotropy, disorder strength, and the presence of hysteresis. Within the moving phase we discuss how there can be a transition from a liquid-like state to dynamically ordered moving crystal, smectic, or nematic states. Systems with periodic or quasiperiodic substrates can have multiple nonequilibrium second or first order transitions in the moving state between chaotic and coherent phases, and can exhibit hysteresis. We also discuss systems with competing repulsive and attractive interactions, which undergo dynamical transitions into stripes and other complex morphologies when driven over random substrates. Throughout this work we highlight open issues and future directions such as absorbing phase transitions, nonequilibrium work relations, inertia, the role of non-dissipative dynamics such as Magnus effects, and how these results could be extended to the broader issues of plasticity in crystals, amorphous solids, and jamming phenomena.

  7. Depinning and nonequilibrium dynamic phases of particle assemblies driven over random and ordered substrates: A review

    DOE PAGES

    Reichhardt, Charles; Olson Reichhardt, Cynthia Jane

    2016-12-20

    Here, we review the depinning and nonequilibrium phases of collectively interacting particle systems driven over random or periodic substrates. This type of system is relevant to vortices in type-II superconductors, sliding charge density waves, electron crystals, colloids, stripe and pattern forming systems, and skyrmions, and could also have connections to jamming, glassy behaviors, and active matter. These systems are also ideal for exploring the broader issues of characterizing transient and steady state nonequilibrium flow phases as well as nonequilibrium phase transitions between distinct dynamical phases, analogous to phase transitions between different equilibrium states. We discuss the differences between elastic andmore » plastic depinning on random substrates and the different types of nonequilibrium phases which are associated with specific features in the velocity-force curves, fluctuation spectra, scaling relations, and local or global particle ordering. We describe how these quantities can change depending on the dimension, anisotropy, disorder strength, and the presence of hysteresis. Within the moving phase we discuss how there can be a transition from a liquid-like state to dynamically ordered moving crystal, smectic, or nematic states. Systems with periodic or quasiperiodic substrates can have multiple nonequilibrium second or first order transitions in the moving state between chaotic and coherent phases, and can exhibit hysteresis. We also discuss systems with competing repulsive and attractive interactions, which undergo dynamical transitions into stripes and other complex morphologies when driven over random substrates. Throughout this work we highlight open issues and future directions such as absorbing phase transitions, nonequilibrium work relations, inertia, the role of non-dissipative dynamics such as Magnus effects, and how these results could be extended to the broader issues of plasticity in crystals, amorphous solids, and jamming

  8. Depinning and nonequilibrium dynamic phases of particle assemblies driven over random and ordered substrates: A review

    SciTech Connect

    Reichhardt, Charles; Olson Reichhardt, Cynthia Jane

    2016-12-20

    Here, we review the depinning and nonequilibrium phases of collectively interacting particle systems driven over random or periodic substrates. This type of system is relevant to vortices in type-II superconductors, sliding charge density waves, electron crystals, colloids, stripe and pattern forming systems, and skyrmions, and could also have connections to jamming, glassy behaviors, and active matter. These systems are also ideal for exploring the broader issues of characterizing transient and steady state nonequilibrium flow phases as well as nonequilibrium phase transitions between distinct dynamical phases, analogous to phase transitions between different equilibrium states. We discuss the differences between elastic and plastic depinning on random substrates and the different types of nonequilibrium phases which are associated with specific features in the velocity-force curves, fluctuation spectra, scaling relations, and local or global particle ordering. We describe how these quantities can change depending on the dimension, anisotropy, disorder strength, and the presence of hysteresis. Within the moving phase we discuss how there can be a transition from a liquid-like state to dynamically ordered moving crystal, smectic, or nematic states. Systems with periodic or quasiperiodic substrates can have multiple nonequilibrium second or first order transitions in the moving state between chaotic and coherent phases, and can exhibit hysteresis. We also discuss systems with competing repulsive and attractive interactions, which undergo dynamical transitions into stripes and other complex morphologies when driven over random substrates. Throughout this work we highlight open issues and future directions such as absorbing phase transitions, nonequilibrium work relations, inertia, the role of non-dissipative dynamics such as Magnus effects, and how these results could be extended to the broader issues of plasticity in crystals, amorphous solids, and jamming phenomena.

  9. Measurements on Melting Pressure, Metastable Solid Phases, and Molar Volume of Univariant Saturated Helium Mixture

    NASA Astrophysics Data System (ADS)

    Rysti, J.; Manninen, M. S.; Tuoriniemi, J.

    2014-06-01

    A concentration-saturated helium mixture at the melting pressure consists of two liquid phases and one or two solid phases. The equilibrium system is univariant, whose properties depend uniquely on temperature. Four coexisting phases can exist on singular points, which are called quadruple points. As a univariant system, the melting pressure could be used as a thermometric standard. It would provide some advantages compared to the current reference, namely pure He, especially at the lowest temperatures below 1 mK. We have extended the melting pressure measurements of the concentration-saturated helium mixture from 10 to 460 mK. The density of the dilute liquid phase was also recorded. The effect of the equilibrium crystal structure changing from hcp to bcc was clearly seen at mK at the melting pressure MPa. We observed the existence of metastable solid phases around this point. No evidence was found for the presence of another, disputed, quadruple point at around 400 mK. The experimental results agree well with our previous calculations at low temperatures, but deviate above 200 mK.

  10. The nature of photoinduced phase transition and metastable states in vanadium dioxide

    PubMed Central

    Tao, Zhensheng; Zhou, Faran; Han, Tzong-Ru T.; Torres, David; Wang, Tongyu; Sepulveda, Nelson; Chang, Kiseok; Young, Margaret; Lunt, Richard R.; Ruan, Chong-Yu

    2016-01-01

    Photoinduced threshold switching processes that lead to bistability and the formation of metastable phases in photoinduced phase transition of VO2 are elucidated through ultrafast electron diffraction and diffusive scattering techniques with varying excitation wavelengths. We uncover two distinct regimes of the dynamical phase change: a nearly instantaneous crossover into an intermediate state and its decay led by lattice instabilities over 10 ps timescales. The structure of this intermediate state is identified to be monoclinic, but more akin to M2 rather than M1 based on structure refinements. The extinction of all major monoclinic features within just a few picoseconds at the above-threshold-level (~20%) photoexcitations and the distinct dynamics in diffusive scattering that represents medium-range atomic fluctuations at two photon wavelengths strongly suggest a density-driven and nonthermal pathway for the initial process of the photoinduced phase transition. These results highlight the critical roles of electron correlations and lattice instabilities in driving and controlling phase transformations far from equilibrium. PMID:27982066

  11. The nature of photoinduced phase transition and metastable states in vanadium dioxide

    NASA Astrophysics Data System (ADS)

    Tao, Zhensheng; Zhou, Faran; Han, Tzong-Ru T.; Torres, David; Wang, Tongyu; Sepulveda, Nelson; Chang, Kiseok; Young, Margaret; Lunt, Richard R.; Ruan, Chong-Yu

    2016-12-01

    Photoinduced threshold switching processes that lead to bistability and the formation of metastable phases in photoinduced phase transition of VO2 are elucidated through ultrafast electron diffraction and diffusive scattering techniques with varying excitation wavelengths. We uncover two distinct regimes of the dynamical phase change: a nearly instantaneous crossover into an intermediate state and its decay led by lattice instabilities over 10 ps timescales. The structure of this intermediate state is identified to be monoclinic, but more akin to M2 rather than M1 based on structure refinements. The extinction of all major monoclinic features within just a few picoseconds at the above-threshold-level (~20%) photoexcitations and the distinct dynamics in diffusive scattering that represents medium-range atomic fluctuations at two photon wavelengths strongly suggest a density-driven and nonthermal pathway for the initial process of the photoinduced phase transition. These results highlight the critical roles of electron correlations and lattice instabilities in driving and controlling phase transformations far from equilibrium.

  12. Phase transformations and the spectral reflectance of solid sulfur - Can metastable sulfur allotropes exist on Io?

    NASA Technical Reports Server (NTRS)

    Moses, Julianne I.; Nash, Douglas B.

    1991-01-01

    Laboratory investigations have been conducted on the effects of variations in sulfur sample histories on their solid-state transformation rate and the corresponding spectral variation of freshly frozen sulfur. The temporal variations in question may be due to differences in the amount and type of metastable allotropes present in the sulfur after solidification, as well as to the physics of the phase-transformation process itself. The results obtained are pertinent to the physical behavior and spectral variation of such freshly solidified sulfur as may exist on the Jupiter moon Io; this would initially solidify into a glassy solid or monoclinic crystalline lattice, then approach ambient dayside temperatures. Laboratory results imply that the monoclinic or polymeric allotropes can in these circumstances be maintained, and will take years to convert to the stable orthorhombic crystalline form.

  13. Phase transitions and metastability in the distribution of the bipartite entanglement of a large quantum system

    SciTech Connect

    De Pasquale, A.; Facchi, P.; Parisi, G.; Pascazio, S.; Scardicchio, A.

    2010-05-15

    We study the distribution of the Schmidt coefficients of the reduced density matrix of a quantum system in a pure state. By applying general methods of statistical mechanics, we introduce a fictitious temperature and a partition function and translate the problem in terms of the distribution of the eigenvalues of random matrices. We investigate the appearance of two phase transitions, one at a positive temperature, associated with very entangled states, and one at a negative temperature, signaling the appearance of a significant factorization in the many-body wave function. We also focus on the presence of metastable states (related to two-dimensional quantum gravity) and study the finite size corrections to the saddle point solution.

  14. Curvature-dependent metastability of the solid phase and the freezing-melting hysteresis in pores.

    PubMed

    Petrov, Oleg; Furó, István

    2006-01-01

    We recapitulate and generalize the concept of the freezing-melting hysteresis that attributes this phenomenon to a free-energy barrier between metastable and stable states of pore-filling material. In a phenomenological description, we show that under commonly encountered conditions, this renders the freezing-point depression DeltaTf defined by the surface-to-volume ratio S/V, whereas the melting-point depression DeltaTm, by the mean curvature kappa of the pore surface, with DeltaTm/DeltaTf =2kappa(V/S). Employing 1H NMR cryoporometry, we experimentally demonstrate the linear correlation between DeltaTm and DeltaTf for several liquids with different DeltaTf,m imbibed in controlled pore glasses. The results compare favorably to the morphological properties of the glasses determined by other techniques. Our findings suggest a simple method for analyzing the pore morphology from the observed phase transition temperatures.

  15. Exploration of metastability and hidden phases in correlated electron crystals visualized by femtosecond optical doping and electron crystallography

    PubMed Central

    Han, Tzong-Ru T.; Zhou, Faran; Malliakas, Christos D.; Duxbury, Phillip M.; Mahanti, Subhendra D.; Kanatzidis, Mercouri G.; Ruan, Chong-Yu

    2015-01-01

    Characterizing and understanding the emergence of multiple macroscopically ordered electronic phases through subtle tuning of temperature, pressure, and chemical doping has been a long-standing central issue for complex materials research. We report the first comprehensive studies of optical doping–induced emergence of stable phases and metastable hidden phases visualized in situ by femtosecond electron crystallography. The electronic phase transitions are triggered by femtosecond infrared pulses, and a temperature–optical density phase diagram is constructed and substantiated with the dynamics of metastable states, highlighting the cooperation and competition through which the macroscopic quantum orders emerge. These results elucidate key pathways of femtosecond electronic switching phenomena and provide an important new avenue to comprehensively investigate optical doping–induced transition states and phase diagrams of complex materials with wide-ranging applications. PMID:26601190

  16. Nonequilibrium thermodynamics of nucleation

    SciTech Connect

    Schweizer, M.; Sagis, L. M. C.

    2014-12-14

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  17. Nonequilibrium thermodynamics of nucleation.

    PubMed

    Schweizer, M; Sagis, L M C

    2014-12-14

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  18. Nonequilibrium thermodynamics of nucleation

    NASA Astrophysics Data System (ADS)

    Schweizer, M.; Sagis, L. M. C.

    2014-12-01

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  19. Phase transformation of the A15 metastable phase of Fe-Cr thin films prepared by ion-beam sputtering

    NASA Astrophysics Data System (ADS)

    Al-Khoury, W.; Eymery, J.-P.; Goudeau, Ph.

    2007-08-01

    Thermal stability of metastable A15 Fe-Cr phase is investigated through the study of its magnetic and structural properties. This phase presents very interesting mechanical properties suggesting that A15-structured films might be of great interest for tribological applications when considering the hardness H over Young's modulus E ratio i.e., a description in terms of "elastic strain to failure" for wear resistance. Indeed, H is multiplied by a factor 2 with respect to the value measured for the bulk cubic centered α phase whereas E remains identical. Then, an improvement by a factor 8 of resistance to plastic deformation may be expected since predictive models stand that this quantity is proportional to the H3/E2 ratio. However, heating problems due to sliding during tribological tests may lead to structural transformation in the film and then a loose of mechanical performance. The formation and the stability of the A15 cubic structure (δ phase) in centered-cubic refractory metals are generally attributed to the presence of oxygen atoms in the unit cell. For equiatomic Fe-Cr thin films elaborated by physical vapor deposition techniques, residual oxygen atoms present in the deposition chamber would be absorbed during the deposition process. In this work, the δ-phase transformation has been studied ex situ in the temperature range 400-650 °C; structural changes have been accurately investigated thanks to the combination of x-ray diffraction and Mössbauer spectroscopy techniques. Thin films were deposited onto quartz substrates and then annealed ex situ under secondary vacuum. From 400 °C, a "structural relaxation" occurring in the δ phase precedes and accompanies the beginning of the phase transformation. Finally, the partially ordered metastable δ-phase transforms into a stable α-phase presenting the precipitation phenomenon at temperature above 550 °C and the presence of a τ-carbide phase is clearly visible from 600 °C. The δ-phase transformation is

  20. Infinite-mode squeezed coherent states and non-equilibrium statistical mechanics (phase-space-picture approach)

    NASA Technical Reports Server (NTRS)

    Yeh, Leehwa

    1993-01-01

    The phase-space-picture approach to quantum non-equilibrium statistical mechanics via the characteristic function of infinite-mode squeezed coherent states is introduced. We use quantum Brownian motion as an example to show how this approach provides an interesting geometrical interpretation of quantum non-equilibrium phenomena.

  1. Equilibrium sampling by reweighting nonequilibrium simulation trajectories.

    PubMed

    Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

    2016-03-01

    Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.

  2. Equilibrium sampling by reweighting nonequilibrium simulation trajectories

    NASA Astrophysics Data System (ADS)

    Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

    2016-03-01

    Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.

  3. Nonequilibrium phase transitions in isotropic Ashkin-Teller model

    NASA Astrophysics Data System (ADS)

    Akıncı, Ümit

    2017-03-01

    Dynamic behavior of an isotropic Ashkin-Teller model in the presence of a periodically oscillating magnetic field has been analyzed by means of the mean field approximation. The dynamic equation of motion has been constructed with the help of a Glauber type stochastic process and solved for a square lattice. After defining the possible dynamical phases of the system, phase diagrams have been given and the behavior of the hysteresis loops has been investigated in detail. The hysteresis loop for specific order parameter of isotropic Ashkin-Teller model has been defined and characteristics of this loop in different dynamical phases have been given.

  4. Nonequilibrium Phase Transition in a Periodically Driven XY Spin Chain

    NASA Astrophysics Data System (ADS)

    Prosen, Tomaž; Ilievski, Enej

    2011-08-01

    We present a general formulation of Floquet states of periodically time-dependent open Markovian quasifree fermionic many-body systems in terms of a discrete Lyapunov equation. Illustrating the technique, we analyze periodically kicked XY spin-(1)/(2) chain which is coupled to a pair of Lindblad reservoirs at its ends. A complex phase diagram is reported with reentrant phases of long range and exponentially decaying spin-spin correlations as some of the system’s parameters are varied. The structure of phase diagram is reproduced in terms of counting nontrivial stationary points of Floquet quasiparticle dispersion relation.

  5. Preparation of meta-stable phases of barium titanate by Sol-hydrothermal method

    SciTech Connect

    Selvaraj, Mahalakshmi; Venkatachalapathy, V.; Karazhanov, S.; Pearce, J. M. E-mail: jeyanthinath@yahoo.co.in

    2015-11-15

    Two low-cost chemical methods of sol–gel and the hydrothermal process have been strategically combined to fabricate barium titanate (BaTiO{sub 3}) nanopowders. This method was tested for various synthesis temperatures (100 °C to 250 °C) employing barium dichloride (BaCl{sub 2}) and titanium tetrachloride (TiCl{sub 4}) as precursors and sodium hydroxide (NaOH) as mineralizer for synthesis of BaTiO{sub 3} nanopowders. The as-prepared BaTiO{sub 3} powders were investigated for structural characteristics using x-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The overall analysis indicates that the hydrothermal conditions create a gentle environment to promote the formation of crystalline phase directly from amorphous phase at the very low processing temperatures investigated. XRD analysis showed phase transitions from cubic - tetragonal - orthorhombic - rhombohedral with increasing synthesis temperature and calculated grain sizes were 34 – 38 nm (using the Scherrer formula). SEM and TEM analysis verified that the BaTiO{sub 3} nanopowders synthesized by this method were spherical in shape and about 114 - 170 nm in size. The particle distribution in both SEM and TEM shows that as the reaction temperature increases from 100 °C to 250 °C, the particles agglomerate. Selective area electron diffraction (SAED) shows that the particles are crystalline in nature. The study shows that choosing suitable precursor and optimizing pressure and temperature; different meta-stable (ferroelectric) phases of undoped BaTiO{sub 3} nanopowders can be stabilized by the sol-hydrothermal method.

  6. Fatigue properties of a metastable beta-type titanium alloy with reversible phase transformation.

    PubMed

    Li, S J; Cui, T C; Hao, Y L; Yang, R

    2008-03-01

    Due to recent concern about allergic and toxic effects of Ni ions released from TiNi alloy into human body, much attention has been focused on the development of new Ni-free, metastable beta-type biomedical titanium alloys with a reversible phase transformation between the beta phase and the alpha'' martensite. This study investigates the effect of the stress-induced alpha'' martensite on the mechanical and fatigue properties of Ti-24Nb-4Zr-7.6Sn (wt.%) alloy. The results show that the as-forged alloy has a low dynamic Young's modulus of 55GPa and a recoverable tensile strain of approximately 3%. Compared with Ti-6Al-4V ELI, the studied alloy has quite a high low-cycle fatigue strength because of the effective suppression of microplastic deformation by the reversible martensitic transformation. Due to the low critical stress required to induce the martensitic transformation, it has low fatigue endurance comparable to that of Ti-6Al-4V ELI. Cold rolling produces a beta+alpha'' two-phase microstructure that is characterized by regions of nano-size beta grains interspersed with coarse grains containing alpha'' martensite plates. Cold rolling increases fatigue endurance by approximately 50% while decreasing the Young's modulus to 49GPa along the rolling direction but increasing it to 68GPa along the transverse direction. Due to the effective suppression of the brittle isothermal omega phase, balanced properties of high strength, low Young's modulus and good ductility can be achieved through ageing treatment at intermediate temperature.

  7. Nonequilibrium phenomena in the phase separation of a two-component lipid bilayer.

    PubMed Central

    de Almeida, Rodrigo F M; Loura, Luís M S; Fedorov, Aleksandre; Prieto, Manuel

    2002-01-01

    Lipid bilayers composed of two phospholipids with significant acyl-chain mismatch behave as nonideal mixtures. Although many of these systems are well characterized from the equilibrium point of view, studies concerning their nonequilibrium dynamics are still rare. The kinetics of lipid demixing (phase separation) was studied in model membranes (large unilamellar vesicles of 1:1 dilauroylphosphatidylcholine (C(12) acyl chain) and distearoylphosphatidylcholine (C(18) acyl chain)). For this purpose, photophysical techniques (fluorescence intensity, anisotropy, and fluorescence resonance energy transfer) were applied using suitable probes (gel phase probe trans-parinaric acid and fluid phase probe N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)-dilauroylphosphatidylethanolamine). The nonequilibrium situation was induced by a sudden thermal quench from a one-fluid phase equilibrium situation (higher temperature) to the gel/fluid coexistence range (lower temperature). We verified that the attainment of equilibrium is a very slow process (occurs in a time scale of hours), leading to large domains at infinite time. The nonequilibrium structure stabilization is due essentially to temporarily rigidified C(12) chains in the interface between gel/fluid domains, which decrease the interfacial tension by acting as surfactants. The relaxation process becomes faster with the increase of the temperature drop. In addition, heterogeneity is already present in the supposed homogeneous fluid mixture at the higher temperature. PMID:11806924

  8. Distribution of current in nonequilibrium diffusive systems and phase transitions.

    PubMed

    Bodineau, T; Derrida, B

    2005-12-01

    We consider diffusive lattice gases on a ring and analyze the stability of their density profiles conditionally to a current deviation. Depending on the current, one observes a phase transition between a regime where the density remains constant and another regime where the density becomes time dependent. Numerical data confirm this phase transition. This time dependent profile persists in the large drift limit and allows one to understand on physical grounds the results obtained earlier for the totally asymmetric exclusion process on a ring.

  9. Phase ordering kinetics of a nonequilibrium exciton-polariton condensate

    NASA Astrophysics Data System (ADS)

    Kulczykowski, Michał; Matuszewski, Michał

    2017-02-01

    We investigate the process of coarsening via annihilation of vortex-antivortex pairs, following the quench to the condensate phase in a nonresonantly pumped polariton system. We find that the late-time dynamics is an example of universal phase-ordering kinetics, characterized by scaling of correlation functions in time. Depending on the parameters of the system, the evolution of the characteristic length scale L (t ) can be the same as for the two-dimensional X Y model, described by a power law with the dynamical exponent z ≈2 and a logarithmic correction, or z ≈1 which agrees with previous studies of conservative superfluids.

  10. Distribution of current in nonequilibrium diffusive systems and phase transitions

    NASA Astrophysics Data System (ADS)

    Bodineau, T.; Derrida, B.

    2005-12-01

    We consider diffusive lattice gases on a ring and analyze the stability of their density profiles conditionally to a current deviation. Depending on the current, one observes a phase transition between a regime where the density remains constant and another regime where the density becomes time dependent. Numerical data confirm this phase transition. This time dependent profile persists in the large drift limit and allows one to understand on physical grounds the results obtained earlier for the totally asymmetric exclusion process on a ring.

  11. Non-equilibrium one-dimensional two-phase flow in variable area channels

    NASA Technical Reports Server (NTRS)

    Rohatgi, U. S.; Reshotko, E.

    1975-01-01

    A one-dimensional nonequilibrium flow analysis has been formulated for a one component two phase flow. The flow is considered homogeneous and essentially isothermal. Phase change is assumed to occur at heterogeneous nucleation sites and the growth of the vapor bubbles is governed by heat conduction from the liquid to the bubble. The analysis adjusted for friction is applied to liquid nitrogen flow in a venturi and comparison is made with the NASA experimental results of Simoneau. Good agreement with the experiments is obtained when one assumes the effective activation energy for nucleus formation to be small but nonzero. The computed pressure distributions deviate from the experimental results in the throat region of the venturi in a manner consistent with centrifugal effects not accounted for in the one-dimensional theory. The results are shown to depend not only on cavitation number but on additional dimensionless parameters governing the nonequilibrium production and subsequent growth of nuclei.

  12. Standing magnetic wave on Ising ferromagnet: Nonequilibrium phase transition

    NASA Astrophysics Data System (ADS)

    Halder, Ajay; Acharyya, Muktish

    2016-12-01

    The dynamical response of an Ising ferromagnet to a plane polarised standing magnetic field wave is modelled and studied here by Monte Carlo simulation in two dimensions. The amplitude of standing magnetic wave is modulated along the direction x. We have detected two main dynamical phases namely, pinned and oscillating spin clusters. Depending on the value of field amplitude the system is found to undergo a phase transition from oscillating spin cluster to pinned as the system is cooled down. The time averaged magnetisation over a full cycle of magnetic field oscillations is defined as the dynamic order parameter. The transition is detected by studying the temperature dependences of the variance of the dynamic order parameter, the derivative of the dynamic order parameter and the dynamic specific heat. The dependence of the transition temperature on the magnetic field amplitude and on the wavelength of the magnetic field wave is studied at a single frequency. A comprehensive phase boundary is drawn in the plane described by the temperature and field amplitude for two different wavelengths of the magnetic wave. The variation of instantaneous line magnetisation during a period of magnetic field oscillation for standing wave mode is compared to those for the propagating wave mode. Also the probability that a spin at any site, flips, is calculated. The above mentioned variations and the probability of spin flip clearly distinguish between the dynamical phases formed by propagating magnetic wave and by standing magnetic wave in an Ising ferromagnet.

  13. Punishment in public goods games leads to meta-stable phase transitions and hysteresis

    NASA Astrophysics Data System (ADS)

    Hintze, Arend; Adami, Christoph

    2015-07-01

    The evolution of cooperation has been a perennial problem in evolutionary biology because cooperation can be undermined by selfish cheaters who gain an advantage in the short run, while compromising the long-term viability of the population. Evolutionary game theory has shown that under certain conditions, cooperation nonetheless evolves stably, for example if players have the opportunity to punish cheaters that benefit from a public good yet refuse to pay into the common pool. However, punishment has remained enigmatic because it is costly and difficult to maintain. On the other hand, cooperation emerges naturally in the public goods game if the synergy of the public good (the factor multiplying the public good investment) is sufficiently high. In terms of this synergy parameter, the transition from defection to cooperation can be viewed as a phase transition with the synergy as the critical parameter. We show here that punishment reduces the critical value at which cooperation occurs, but also creates the possibility of meta-stable phase transitions, where populations can ‘tunnel’ into the cooperating phase below the critical value. At the same time, cooperating populations are unstable even above the critical value, because a group of defectors that are large enough can ‘nucleate’ such a transition. We study the mean-field theoretical predictions via agent-based simulations of finite populations using an evolutionary approach where the decisions to cooperate or to punish are encoded genetically in terms of evolvable probabilities. We recover the theoretical predictions and demonstrate that the population shows hysteresis, as expected in systems that exhibit super-heating and super-cooling. We conclude that punishment can stabilize populations of cooperators below the critical point, but it is a two-edged sword: it can also stabilize defectors above the critical point.

  14. High Precision Density Measurements of Single Particles: The Density of Metastable Phases

    SciTech Connect

    Zelenyuk, Alla; Cai, Yong; Chieffo, Logan; Imre, Dan G.

    2005-10-01

    We describe a system designed to measure the size, composition and density of individual particles in real-time. It uses a DMA to select a monodisperse particle population and the single particle mass spectrometer to measure individual particle mass spectrometer to measure individual particle aerodynamic diameter and composition. Mobility and aerodynamic diameters are used to extract particle density. The addition of individual particle density to the mass spectrum is intended to improve the data classification process. In the present paper we demonstrate that the system has the requisite accuracy and resolution to make this approach practicable. We also present a high precision variant that uses an internal calibrant to remove any of the systematic errors and significantly improves the measurement quality. The high precision scheme is most suitable for laboratory studies making it possible to follow slight changes in particle density. An application of the system to measure the density of hygroscopic particles of atmospheric importance in metastable phases near zero relative humidity is presented. The density data are consistent with conclusions reached in a number of other studies that some particle systems of atmospheric significance once deliquesced persist as droplets down to near zero relative humidity.

  15. Nonequilibrium dynamic phases in driven vortex lattices with periodic pinning

    NASA Astrophysics Data System (ADS)

    Reichhardt, Charles Michael

    1998-12-01

    We present the results of an extensive series of simulations of flux-gradient and current driven vortices interacting with either random or periodically arranged pinning sites. First, we consider flux-gradient-driven simulations of superconducting vortices interacting with strong randomly-distributed columnar pinning defects, as an external field H(t) is quasi-statically swept from zero through a matching field Bsb{phi}. Here, we find significant changes in the behavior of the local flux density B(x, y, H(t)), magnetization M(H(t)), critical current Jsb{c}(B(t)), and the individual vortex flow paths, as the local flux density crosses Bsb{phi}. Further, we find that for a given pin density, Jsb{c}(B) can be enhanced by maximizing the distance between the pins for B < Bsb{phi}. For the case of periodic pinning sites as a function of applied field, we find a rich variety of ordered and partially-ordered vortex lattice configurations. We present formulas that predict the matching fields at which commensurate vortex configurations occur and the vortex lattice orientation with respect to the pinning lattice. Our results are in excellent agreement with recent imaging experiments on square pinning arrays (K. Harada et al., Science 274, 1167 (1996)). For current driven simulations with periodic pinning we find a remarkable number of dynamical plastic flow phases. Signatures of the transitions between these different dynamical phases include sudden jumps in the current-voltage curves, hysteresis, as well as marked changes in the vortex trajectories and vortex lattice order. These phases are outlined in a series of dynamic phase diagrams. We show that several of these phases and their phase-boundaries can be understood in terms of analytical arguments. Finally, when the vortex lattice is driven at varying angles with respect to the underlying periodic pinning array, the transverse voltage-current V(I) curves show a series of mode-locked plateaus with the overall V(I) forming

  16. Discovery of a meta-stable Al-Sm phase with unknown stoichiometry using a genetic algorithm

    SciTech Connect

    Zhang, Feng; McBrearty, Ian; Ott, R. T.; Park, E.; Mendelev, Mikhail I.; Kramer, M. J.; Wang, Cai-Zhuang; Ho, Kai-Ming

    2014-07-10

    Unknown crystalline phases observed during the devitrification process of glassy metal alloys significantly limit our ability to understand and control phase selection in these systems driven far from equilibrium. Here, we report a new meta-stable Al5Sm phase identified by simultaneously searching Al-rich compositions of the Al–Sm system, using an efficient genetic algorithm. The excellent match between calculated and experimental X-ray diffraction patterns confirms that this new phase appeared in the crystallization of melt-spun Al90Sm10 alloys.

  17. Discovery of a meta-stable Al–Sm phase with unknown stoichiometry using a genetic algorithm

    SciTech Connect

    Zhang, Feng; McBrearty, Ian; Ott, R T; Park, E; Mendelev, Mikhail I; Kramer, M J; Wang, Cai-Zhuang; Ho, Kai-Ming

    2014-06-01

    Unknown crystalline phases observed during the devitrification process of glassy metal alloys significantly limit our ability to understand and control phase selection in these systems driven far from equilibrium. Here, we report a new meta-stable Al5Sm phase identified by simultaneously searching Al-rich compositions of the Al-Sm system, using an efficient genetic algorithm. The excellent match between calculated and experimental X-ray diffraction patterns confirms that this new phase appeared in the crystallization of melt-spun Al90Sm10 alloys. Published by Elsevier Ltd. on behalf of Acta Materialia Inc.

  18. Finite-size scaling analysis of a nonequilibrium phase transition in the naming game model

    NASA Astrophysics Data System (ADS)

    Brigatti, E.; Hernández, A.

    2016-11-01

    We realize an extensive numerical study of the naming game model with a noise term which accounts for perturbations. This model displays a nonequilibrium phase transition between an absorbing ordered consensus state, which occurs for small noise, and a disordered phase with fragmented clusters characterized by heterogeneous memories, which emerges at strong noise levels. The nature of the phase transition is studied by means of a finite-size scaling analysis of the moments. We observe a scaling behavior typical of a discontinuous transition and we are able to estimate the thermodynamic limit. The scaling behavior of the clusters size seems also compatible with this kind of transition.

  19. Unusual dileptions at RHIC a field theoretic approach based on a non-equilibrium chiral phase transition

    SciTech Connect

    Cooper, F.

    1997-09-22

    This paper contains viewgraphs on unusual dileptons at Brookhaven RHIC. A field theory approach is used based on a non-equilibrium chiral phase transformation utilizing the schroedinger and Heisenberg picture.

  20. Characterization of Cr-rich Cr-Sb multilayer films: Syntheses of a new metastable phase using modulated elemental reactants

    SciTech Connect

    Regus, Matthias; Mankovsky, Sergiy; Polesya, Svitlana; Kuhn, Gerhard; Ditto, Jeffrey; Schürmann, Ulrich; Jacquot, Alexandre; Bartholomé, Kilian; Näther, Christian; Winkler, Markus; König, Jan D.; Böttner, Harald; Kienle, Lorenz; Johnson, David C.; Ebert, Hubert; Bensch, Wolfgang

    2015-10-15

    The new metastable compound Cr{sub 1+x}Sb with x up to 0.6 has been prepared via a thin film approach using modulated elemental reactants and investigated by in-situ X-ray reflectivity, X-ray diffraction, differential scanning calorimetry, energy dispersive X-ray analysis as well as transmission electron microscopy and atomic force microscopy. The new Cr-rich antimonide crystallizes in a structure related to the Ni{sub 2}In-type structure, where the crystallographic position (1/3, 2/3, 3/4) is partially occupied by excess Cr. The elemental layers of the pristine material interdiffused significantly before Cr{sub 1+x}Sb crystallized. A change in the activation energy was observed for the diffusion process when crystal growth starts. First-principles electronic structure calculations provide insight into the structural stability, magnetic properties and resistivity of Cr{sub 1+x}Sb. - Graphical abstract: 1 amorphous multilayered film 2 interdiffused amorphous film 3 metastable crystalline phase 4 thermodynamic stable phase (and by-product). - Highlights: • Interdiffusion of amorphous Cr and Sb occurs before crystallization. • Crystallization of a new metastable phase Cr{sub 1.6}Sb in Ni{sub 2}In-type structure. • The new Cr-rich phase shows half-metallic behavior.

  1. Phenomena at the QCD phase transition in nonequilibrium chiral fluid dynamics (Nχ FD)

    NASA Astrophysics Data System (ADS)

    Nahrgang, Marlene; Herold, Christoph

    2016-08-01

    Heavy-ion collisions performed in the beam energy range accessible by the NICA collider facility are expected to produce systems of extreme net-baryon densities and can thus reach yet unexplored regions of the QCD phase diagram. Here, one expects the phase transition between the plasma of deconfined quarks and gluons and the hadronic matter to be of first order. A discovery of the first-order phase transition would as well prove the existence of the QCD critical point, a landmark in the phase diagram. In order to understand possible signals of the first-order phase transition in heavy-ion collision experiments it is very important to develop dynamical models of the phase transition. Here, we discuss the opportunities of studying dynamical effects at the QCD first-order phase transition within our model of nonequilibrium chiral fluid dynamics.

  2. Computer simulation study of metastable ice VII and amorphous phases obtained by its melting

    NASA Astrophysics Data System (ADS)

    Slovák, Jan; Tanaka, Hideki

    2005-05-01

    Molecular dynamics simulations of metastable ice VII and cubic ice Ic are carried out in order to examine (1) the ability of commonly used water interaction potentials to reproduce the properties of ices, and (2) the possibility of generating low-density amorphous (LDA) structures by heating ice VII, which is known to transform to LDA at ˜135K at normal pressure [S. Klotz, J. M. Besson, G. Hamel, R. J. Nelmes, J. S. Loveday, and W. G. Marshall, Nature (London) 398, 681 (1999)]. We test four simple empirical interaction potentials of water: TIP4P [W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983)], SPC/E [H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. B 91, 6269 (1987)], TIP5P [M. W. Mahoney and W. L. Jorgensen, J. Chem. Phys. 112, 8910 (2000)], and ST2 [F. H. Stillinger and A. Rahman, J. Chem. Phys. 60, 1545 (1974)]. We have found that TIP5P ice VII melts at 210 K, TIP4P at 90 K, and SPC/E at 70 K. Only TIP5P water after transition has a structure similar to that of LDA. TIP4P and SPC/E have almost identical structures, dissimilar to any known water or amorphous phases, but upon heating both slowly evolve towards LDA-like structure. ST2 ice VII is remarkably stable up to 430 K. TIP4P and SPC/E predict correctly the cubic ice collapse into a high-density amorphous ice (HDA) at ˜1GPa whereas TIP5P remains stable up to ˜5GPa. The densities of the simulated ice phases differ significantly, depending on the potential used, and are generally higher than experimental values. The importance of proper treatment of long-range electrostatic interactions is also discussed.

  3. Computer simulation study of metastable ice VII and amorphous phases obtained by its melting.

    PubMed

    Slovák, Jan; Tanaka, Hideki

    2005-05-22

    Molecular dynamics simulations of metastable ice VII and cubic ice Ic are carried out in order to examine (1) the ability of commonly used water interaction potentials to reproduce the properties of ices, and (2) the possibility of generating low-density amorphous (LDA) structures by heating ice VII, which is known to transform to LDA at approximately 135 K at normal pressure [S. Klotz, J. M. Besson, G. Hamel, R. J. Nelmes, J. S. Loveday, and W. G. Marshall, Nature (London) 398, 681 (1999)]. We test four simple empirical interaction potentials of water: TIP4P [W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983)], SPC/E [H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. B 91, 6269 (1987)], TIP5P [M. W. Mahoney and W. L. Jorgensen, J. Chem. Phys. 112, 8910 (2000)], and ST2 [F. H. Stillinger and A. Rahman, J. Chem. Phys. 60, 1545 (1974)]. We have found that TIP5P ice VII melts at 210 K, TIP4P at 90 K, and SPC/E at 70 K. Only TIP5P water after transition has a structure similar to that of LDA. TIP4P and SPC/E have almost identical structures, dissimilar to any known water or amorphous phases, but upon heating both slowly evolve towards LDA-like structure. ST2 ice VII is remarkably stable up to 430 K. TIP4P and SPC/E predict correctly the cubic ice collapse into a high-density amorphous ice (HDA) at approximately 1 GPa whereas TIP5P remains stable up to approximately 5 GPa. The densities of the simulated ice phases differ significantly, depending on the potential used, and are generally higher than experimental values. The importance of proper treatment of long-range electrostatic interactions is also discussed.

  4. Dynamic scaling at classical phase transitions approached through nonequilibrium quenching

    NASA Astrophysics Data System (ADS)

    Liu, Cheng-Wei; Polkovnikov, Anatoli; Sandvik, Anders W.

    2014-02-01

    We use Monte Carlo simulations to demonstrate generic scaling aspects of classical phase transitions approached through a quench (or annealing) protocol where the temperature changes as a function of time with velocity v. Using a generalized Kibble-Zurek ansatz, we demonstrate dynamic scaling for different types of stochastic dynamics (Metropolis, Swendsen-Wang, and Wolff) on Ising models in two and higher dimensions. We show that there are dual scaling functions governing the dynamic scaling, which together describe the scaling behavior in the entire velocity range v ∈[0,∞). These functions have asymptotics corresponding to the adiabatic and diabatic limits, and close to these limits they are perturbative in v and 1/v, respectively. Away from their perturbative domains, both functions cross over into the same universal power-law scaling form governed by the static and dynamic critical exponents (as well as an exponent characterizing the quench protocol). As a by-product of the scaling studies, we obtain high-precision estimates of the dynamic exponent z for the two-dimensional Ising model subject to the three variants of Monte Carlo dynamics: for single-spin Metropolis updates zM=2.1767(5), for Swendsen-Wang multicluster updates zSW=0.297(3), and for Wolff single-cluster updates zW=0.30(2). For Wolff dynamics, we find an interesting behavior with a nonanalytic breakdown of the quasiadiabatic and diabatic scalings, instead of the generic smooth crossover described by a power law. We interpret this disconnect between the two scaling regimes as a dynamic phase transition of the Wolff algorithm, caused by an effective sudden loss of ergodicity at high velocity.

  5. Theoretical and experimental study of metastable solid solutions and phase stability within the immiscible Ag-Mo binary system

    NASA Astrophysics Data System (ADS)

    Sarakinos, K.; Greczynski, G.; Elofsson, V.; Magnfält, D.; Högberg, H.; Alling, B.

    2016-03-01

    Metastable solid solutions are phases that are synthesized far from thermodynamic equilibrium and offer a versatile route to design materials with tailor-made functionalities. One of the most investigated classes of metastable solid solutions with widespread technological implications is vapor deposited ternary transition metal ceramic thin films (i.e., nitrides, carbides, and borides). The vapor-based synthesis of these ceramic phases involves complex and difficult to control chemical interactions of the vapor species with the growing film surface, which often makes the fundamental understanding of the composition-properties relations a challenging task. Hence, in the present study, we investigate the phase stability within an immiscible binary thin film system that offers a simpler synthesis chemistry, i.e., the Ag-Mo system. We employ magnetron co-sputtering to grow Ag1-xMox thin films over the entire composition range along with x-ray probes to investigate the films structure and bonding properties. Concurrently, we use density functional theory calculations to predict phase stability and determine the effect of chemical composition on the lattice volume and the electronic properties of Ag-Mo solid solutions. Our combined theoretical and experimental data show that Mo-rich films (x ≥ ˜0.54) form bcc Mo-Ag metastable solid solutions. Furthermore, for Ag-rich compositions (x ≤ ˜0.21), our data can be interpreted as Mo not being dissolved in the Ag fcc lattice. All in all, our data show an asymmetry with regards to the mutual solubility of Ag and Mo in the two crystal structures, i.e., Ag has a larger propensity for dissolving in the bcc-Mo lattice as compared to Mo in the fcc-Ag lattice. We explain these findings in light of isostructural short-range clustering that induces energy difference between the two (fcc and bcc) metastable phases. We also suggest that the phase stability can be explained by the larger atomic mobility of Ag atoms as compared to that

  6. Silver nanoplates with ground or metastable structures obtained from template-free two-phase aqueous/organic synthesis

    SciTech Connect

    Zhelev, Doncho V. Zheleva, Tsvetanka S.

    2014-01-28

    Silver has unique electrical, catalytic, and plasmonic characteristics and has been widely sought for fabrication of nanostructures. The properties of silver nanostructures are intimately coupled to the structure of silver crystals. Two crystal structures are known for silver: the stable (ground) state cubic face centered 3C-Ag structure and the metastable hexagonal 4H-Ag structure. Recently, Chackraborty et al. [J. Phys.: Condens. Matter 23, 325401 (2011)] discovered a low density, highly reactive metastable hexagonal 2H-Ag structure accessible during electrodeposition of silver nanowires in porous anodic alumina templates. This 2H-Ag structure has enhanced electrical and catalytic characteristics. In the present work we report template-free synthesis of silver nanoplates with the metastable 2H-Ag crystal structure, which appears together with the ground 3C-Ag and the metastable 4H-Ag structures in a two-phase solution synthesis with citric acid as the capping agent. The capacity of citric acid to stabilize both the stable and the metastable structures is explained by its preferential binding to the close packed facets of Ag crystals, which are the (111) planes for 3C-Ag and the (0001) planes for 4H-Ag and 2H-Ag. Nanoplate morphology and structure are characterized using scanning electron microscopy, X-ray diffraction, and transmission electron microscopy. The synthesized nanoplates have thickness from 15 to 17 nm and edge length from 1 to 10 μm. Transmission electron microscopy selected area electron diffraction is used to uniquely identify and distinguish between nanoplates with 2H-Ag or 4H-Ag or 3C-Ag structures.

  7. Atomic loss and gain as a resource for nonequilibrium phase transitions in optical lattices

    NASA Astrophysics Data System (ADS)

    Everest, B.; Marcuzzi, M.; Lesanovsky, I.

    2016-02-01

    Recent breakthroughs in the experimental manipulation of strongly interacting atomic Rydberg gases in lattice potentials have opened an avenue for the study of many-body phenomena. Considerable efforts are currently being undertaken to achieve clean experimental settings that show a minimal amount of noise and disorder and are close to zero temperature. A complementary direction investigates the interplay between coherent and dissipative processes. Recent experiments have revealed a glimpse into the emergence of a rich nonequilibrium behavior stemming from the competition of laser excitation, strong interactions, and radiative decay of Rydberg atoms. The aim of the present theoretical work is to show that local incoherent loss and gain of atoms can in fact be the source of interesting out-of-equilibrium dynamics. This perspective opens up paths for the exploration of nonequilibrium critical phenomena and, more generally, phase transitions, some of which so far have been rather difficult to study. To demonstrate the richness of the encountered dynamical behavior we consider here three examples. The first two feature local atom loss and gain together with an incoherent excitation of Rydberg states. In this setting either a continuous or a discontinuous phase transition emerges with the former being reminiscent of genuine nonequilibrium transitions of stochastic processes with multiple absorbing states. The third example considers the regime of coherent laser excitation. Here the many-body dynamics is dominated by an equilibrium transition of the "model A" universality class.

  8. Nonequilibrium phase transition in an exactly solvable driven Ising model with friction.

    PubMed

    Hucht, Alfred

    2009-12-01

    A driven Ising model with friction due to magnetic correlations was proposed by Kadau [Phys. Rev. Lett. 101, 137205 (2008)]. The nonequilibrium phase transition present in this system is investigated in detail using analytical methods as well as Monte Carlo simulations. In the limit of high driving velocities v the model shows mean-field behavior due to dimensional reduction and can be solved exactly for various geometries. The simulations are performed with three different single spin-flip rates: the common Metropolis and Glauber rates as well as a multiplicative rate. Due to the nonequilibrium nature of the model all rates lead to different critical temperatures at v>0, while the exact solution matches the multiplicative rate. Finally, the crossover from Ising to mean-field behavior as function of velocity and system size is analyzed in one and two dimensions.

  9. Characterization of the α phase nucleation in a two-phase metastable β titanium alloy

    NASA Astrophysics Data System (ADS)

    Lenain, A.; Clément, N.; Jacques, P. J.; Véron, M.

    2005-12-01

    Beta titanium alloys are increasingly the best choice for automotive and aerospace applications due to their high performance-to-density ratio. Among these alloys, the TIMETAL Ti-LCB is already used in the automotive industry because it presents excellent mechanical properties and a lower cost compared with other Ti alloys. The current study deals with the characterization of the nucleation and growth of the α phase in several thermomechanical processes, because the distribution and size of the α phase strongly influence the mechanical properties of the resulting microstructures. Several heat treatments were conducted after either cold rolling or annealing. The resulting microstructures were characterized by scanning electron microscopy, transmission electron microscopy, x-ray diffraction, or electron backscatter diffraction. It was observed that the morphology and the volume fraction of the α phase are strongly dependent on the holding temperature, on the heating or cooling rate, and on the β grain size.

  10. Nonequilibrium phase transition of interacting bosons in an intra-cavity optical lattice.

    PubMed

    Bakhtiari, M Reza; Hemmerich, A; Ritsch, H; Thorwart, M

    2015-03-27

    We investigate the nonlinear light-matter interaction of a Bose-Einstein condensate trapped in an external periodic potential inside an optical cavity which is weakly coupled to vacuum radiation modes and driven by a transverse pump field. Based on a generalized Bose-Hubbard model which incorporates a single cavity mode, we include the collective backaction of the atoms on the cavity light field and determine the nonequilibrium quantum phases within the nonperturbative bosonic dynamical mean-field theory. With the system parameters adapted to recent experiments, we find a quantum phase transition from a normal phase to a self-organized superfluid phase, which is related to the Hepp-Lieb-Dicke superradiance phase transition. For even stronger pumping, a self-organized Mott insulator phase arises.

  11. Pulsed Nd:YAG deposition of nanostructured FeS1-x containing meta-stable phases

    NASA Astrophysics Data System (ADS)

    Křenek, T.; Karatodorov, S.; Medlín, R.; Mihailov, V.; Savková, J.

    2017-02-01

    Pulsed near-IR laser irradiation of ferrous sulfide (FeS) in a vacuum allows a non-congruent ablation and deposition of nanostructured FeS1-x thin films. Deposition has been performed on Al, Ta and Cu unheated substrate and analyzed by scanning (SEM) and high resolution transmission electron microscopy (HRTEM) and electron diffraction. Morphologically, the similar homogeneous, dark, metallic and adhesive appearanceshave been revealed for all the coats deposited on various substrates (by SEM). However, using HRTEM in agreement with electron diffraction, different phase composition on various substrates has been detected. Cubic pyrite phase (FeS2) has been detected on Ta substrate. Cubic pyrite (FeS2) and metastable rhomboedric smythite Fe9S11 have been found in case of Al substrate. Cubic pyrite (FeS2), metastable rhomboedric smythite Fe9S11 and metastable orthorhombic marcasite (FeS2m) revealed HRTEM analysis of the film on Cu substrate. In case of all deposits the detected crystalline nanograins were surrounded by amorphous matrix.

  12. Equilibrium and non-equilibrium cluster phases in colloids with competing interactions.

    PubMed

    Mani, Ethayaraja; Lechner, Wolfgang; Kegel, Willem K; Bolhuis, Peter G

    2014-07-07

    The phase behavior of colloids that interact via competing interactions - short-range attraction and long-range repulsion - is studied by computer simulation. In particular, for a fixed strength and range of repulsion, the effect of the strength of an attractive interaction (ε) on the phase behavior is investigated at various colloid densities (ρ). A thermodynamically stable equilibrium colloidal cluster phase, consisting of compact crystalline clusters, is found below the fluid-solid coexistence line in the ε-ρ parameter space. The mean cluster size is found to linearly increase with the colloid density. At large ε and low densities, and at small ε and high densities, a non-equilibrium cluster phase, consisting of elongated Bernal spiral-like clusters, is observed. Although gelation can be induced either by increasing ε at constant density or vice versa, the gelation mechanism is different in either route. While in the ρ route gelation occurs via a glass transition of compact clusters, gelation in the ε route is characterized by percolation of elongated clusters. This study both provides the location of equilibrium and non-equilibrium cluster phases with respect to the fluid-solid coexistence, and reveals the dependencies of the gelation mechanism on the preparation route.

  13. Computational studies of thermal and quantum phase transitions approached through non-equilibrium quenching

    NASA Astrophysics Data System (ADS)

    Liu, Cheng-Wei

    Phase transitions and their associated critical phenomena are of fundamental importance and play a crucial role in the development of statistical physics for both classical and quantum systems. Phase transitions embody diverse aspects of physics and also have numerous applications outside physics, e.g., in chemistry, biology, and combinatorial optimization problems in computer science. Many problems can be reduced to a system consisting of a large number of interacting agents, which under some circumstances (e.g., changes of external parameters) exhibit collective behavior; this type of scenario also underlies phase transitions. The theoretical understanding of equilibrium phase transitions was put on a solid footing with the establishment of the renormalization group. In contrast, non-equilibrium phase transition are relatively less understood and currently a very active research topic. One important milestone here is the Kibble-Zurek (KZ) mechanism, which provides a useful framework for describing a system with a transition point approached through a non-equilibrium quench process. I developed two efficient Monte Carlo techniques for studying phase transitions, one is for classical phase transition and the other is for quantum phase transitions, both are under the framework of KZ scaling. For classical phase transition, I develop a non-equilibrium quench (NEQ) simulation that can completely avoid the critical slowing down problem. For quantum phase transitions, I develop a new algorithm, named quasi-adiabatic quantum Monte Carlo (QAQMC) algorithm for studying quantum quenches. I demonstrate the utility of QAQMC quantum Ising model and obtain high-precision results at the transition point, in particular showing generalized dynamic scaling in the quantum system. To further extend the methods, I study more complex systems such as spin-glasses and random graphs. The techniques allow us to investigate the problems efficiently. From the classical perspective, using the

  14. Effect of thermomechanical treatment modes on structural-phase states and mechanical properties of metastable austenitic steel

    NASA Astrophysics Data System (ADS)

    Akkuzin, S. A.; Litovchenko, I. Yu.; Polekhina, N. A.; Tyumentsev, A. N.

    2016-11-01

    The features of the structural-phase states and mechanical properties of metastable austenitic steel after thermomechanical treatments have been investigated. It is shown that low-temperature and subsequent deformation in the temperature range 300-773 K contributes to the direct (γ → α')-martensitic transformation. The combination of low-temperature, subsequent warm deformation at 873 K and annealing at 1073 K leads to the direct (γ → α')- and reverse (α' → γ)-martensitic transformations. As a result of thermomechanical treatments submicrocrystalline two-phase structural states with high strength properties (σ0.1 ≈ 1160-1350 MPa) are formed.

  15. Exploration of a Metastable Normal Spinel Phase Diagram for the Quaternary Li–Ni–Mn–Co–O System

    SciTech Connect

    Kan, Wang Hay; Huq, Ashfia; Manthiram, Arumugam

    2016-02-27

    In an attempt to enlarge the normal spinel phase diagram for the quaternary Li-Ni-Mn-Co-O system, the transformation at moderate temperatures (150-210 °C) of layered Li0.5(Ni1-y-zMnyCoz)O2 (R$\\bar{3}$m), which were obtained by an ambient-temperature extraction of lithium from Li0.5(Ni1-y-zMnyCoz)O2, into normal spinel-like (Fd$\\bar{3}$m) Li(Ni1-y-zMnyCoz)2O4 has been investigated. The phase-conversion mechanism has been studied by joint time-of-flight (TOF) neutron and X-ray diffractions, thermogravimetric analysis, and bond valence sum map. The ionic diffusion of lithium (3a, 6c) and nickel (3a, 3b) ions has been quantified as a function of temperature. The investigated spinel phases are metastable, and they are subject to change into rock-salt phases at higher temperatures. The phases have been characterized as cathodes in lithium-ion cells. Finally, the study may serve as a strategic model to access other metastable phases by low-temperature synthesis approaches.

  16. Exploration of a Metastable Normal Spinel Phase Diagram for the Quaternary Li–Ni–Mn–Co–O System

    DOE PAGES

    Kan, Wang Hay; Huq, Ashfia; Manthiram, Arumugam

    2016-02-27

    In an attempt to enlarge the normal spinel phase diagram for the quaternary Li-Ni-Mn-Co-O system, the transformation at moderate temperatures (150-210 °C) of layered Li0.5(Ni1-y-zMnyCoz)O2 (Rmore » $$\\bar{3}$$m), which were obtained by an ambient-temperature extraction of lithium from Li0.5(Ni1-y-zMnyCoz)O2, into normal spinel-like (Fd$$\\bar{3}$$m) Li(Ni1-y-zMnyCoz)2O4 has been investigated. The phase-conversion mechanism has been studied by joint time-of-flight (TOF) neutron and X-ray diffractions, thermogravimetric analysis, and bond valence sum map. The ionic diffusion of lithium (3a, 6c) and nickel (3a, 3b) ions has been quantified as a function of temperature. The investigated spinel phases are metastable, and they are subject to change into rock-salt phases at higher temperatures. The phases have been characterized as cathodes in lithium-ion cells. Finally, the study may serve as a strategic model to access other metastable phases by low-temperature synthesis approaches.« less

  17. Nonequilibrium Dynamical Mean-Field Theory for the Charge-Density-Wave Phase of the Falicov-Kimball Model

    SciTech Connect

    Matveev, O. P.; Shvaika, A. M.; Devereaux, T. P.; Freericks, J. K.

    2015-12-08

    Nonequilibrium dynamical mean-field theory (DMFT) is developed for the case of the charge-density-wave ordered phase. We consider the spinless Falicov-Kimball model which can be solved exactly. This strongly correlated system is then placed in an uniform external dc electric field. We present a complete derivation for nonequilibrium dynamical mean-field theory Green’s functions defined on the Keldysh-Schwinger time contour. We also discuss numerical issues involved in solving the coupled equations.

  18. Locating topological phase transitions using nonequilibrium signatures in local bulk observables

    NASA Astrophysics Data System (ADS)

    Roy, Sthitadhi; Moessner, Roderich; Das, Arnab

    2017-01-01

    Topological quantum phases cannot be characterized by local order parameters in the bulk. In this work, however, we show that nonanalytic signatures of a topological quantum critical point do remain in local observables in the bulk, and manifest themselves as nonanalyticities in their expectation values taken over a family of nonequilibrium states generated using a quantum quench protocol. The signature can be used for precisely locating the critical points in parameter space. A large class of initial states can be chosen for the quench, including finite temperature states. We demonstrate these results in tractable models of noninteracting fermions exhibiting topological phase transitions in one and two spatial dimensions. We also show that the nonanalyticities can be absent if the gap closing is nontopological, i.e., when it corresponds to no phase transition.

  19. The voltage limitation for phase coherence experiments: non-equilibrium effects versus Joule heating

    NASA Astrophysics Data System (ADS)

    Linke, H.; Omling, P.; Xu, Hongqi; Lindelof, P. E.

    1996-12-01

    The breaking of phase coherence of electrons by a finite bias voltage is studied in a quasi-one-dimensional electron gas. Although the wire is longer than the energy relaxation length we find that Joule heating in the wire is not important for dephasing of non-equilibrium electrons. Instead, phase breaking occurs by electron-electron interaction due to the excess energy of the injected electrons with respect to the Fermi energy. The relevant limiting parameter for phase coherence is, therefore, the bias voltage, rather than the dissipated power. A model calculation suggests that our results are of general relevance for coherence experiments in one-dimensional geometry on length scales of the same order of magnitude as the energy relaxation length.

  20. Entropy analysis on non-equilibrium two-phase flow models

    SciTech Connect

    Karwat, H.; Ruan, Y.Q.

    1995-09-01

    A method of entropy analysis according to the second law of thermodynamics is proposed for the assessment of a class of practical non-equilibrium two-phase flow models. Entropy conditions are derived directly from a local instantaneous formulation for an arbitrary control volume of a structural two-phase fluid, which are finally expressed in terms of the averaged thermodynamic independent variables and their time derivatives as well as the boundary conditions for the volume. On the basis of a widely used thermal-hydraulic system code it is demonstrated with practical examples that entropy production rates in control volumes can be numerically quantified by using the data from the output data files. Entropy analysis using the proposed method is useful in identifying some potential problems in two-phase flow models and predictions as well as in studying the effects of some free parameters in closure relationships.

  1. Metastable quantum phase transitions in a periodic one-dimensional Bose gas. II. Many-body theory

    SciTech Connect

    Kanamoto, R.; Carr, L. D.; Ueda, M.

    2010-02-15

    We show that quantum solitons in the Lieb-Liniger Hamiltonian are precisely the yrast states. We identify such solutions with Lieb's type II excitations from weak to strong interactions, clarifying a long-standing question of the physical meaning of this excitation branch. We demonstrate that the metastable quantum phase transition previously found in mean-field analysis of the weakly interacting Lieb-Liniger Hamiltonian [Phys. Rev. A 79, 063616 (2009)] extends into the medium- to strongly interacting regime of a periodic one-dimensional Bose gas. Our methods are exact diagonalization, finite-size Bethe ansatz, and the boson-fermion mapping in the Tonks-Girardeau limit.

  2. Order Parameter and Kinetics of Non-Equilibrium Phase Transition Stimulated by the Impact of Volumetric Heat Source

    NASA Astrophysics Data System (ADS)

    Slyadnikov, E. E.; Turchanovskii, I. Yu.

    2017-01-01

    The authors formulated an understanding of the order parameter and built a kinetic model for the nonequilibrium first-order "solid body - liquid" phase transition stimulated by the impact of the volumetric heat source. Analytical solutions for kinetic equations were found, and it was demonstrated that depending on the phase transition rate "surface" and "bulk" melting mechanisms are implemented.

  3. High-resolution and analytical TEM investigation of metastable-tetragonal phase stabilization in undoped nanocrystalline zirconia.

    PubMed

    Oleshko, Vladimir P; Howe, James M; Shukla, Satyajit; Seal, Sudipta

    2004-09-01

    Submicron and nano-sized nanocrystalline pure zirconia (ZrO2) powders having metastable tetragonal and tetragonal-plus-monoclinic crystal structures, respectively, were synthesized using the sol-gel technique. The as-precipitated and the calcinated ZrO2 powders were analyzed for their morphology, nanocrystallite size and structures, aggregation tendency, local electronic properties, and elemental compositions by conventional and high-resolution transmission electron microscopy and field-emission analytical electron microscopy, including energy-dispersive X-ray and electron energy-loss spectroscopies. The results from this study indicate that a combination of nanocrystallite size, strain-induced grain-growth confinement, and the simultaneous presence of the monoclinic phase can lead to stabilization of the metastable tetragonal-phase in undoped ZrO2. As a result, the tetragonal phase is stabilized within ZrO2 nanocrystallites up to 100 nm in size, which is 16 times larger than the previously reported critical size of 6 nm.

  4. Phase-field investigation on the non-equilibrium interface dynamics of rapid alloy solidification

    SciTech Connect

    Choi, Jeong

    2011-01-01

    The research program reported here is focused on critical issues that represent conspicuous gaps in current understanding of rapid solidification, limiting our ability to predict and control microstructural evolution (i.e. morphological dynamics and microsegregation) at high undercooling, where conditions depart significantly from local equilibrium. More specifically, through careful application of phase-field modeling, using appropriate thin-interface and anti-trapping corrections and addressing important details such as transient effects and a velocity-dependent (i.e. adaptive) numerics, the current analysis provides a reasonable simulation-based picture of non-equilibrium solute partitioning and the corresponding oscillatory dynamics associated with single-phase rapid solidification and show that this method is a suitable means for a self-consistent simulation of transient behavior and operating point selection under rapid growth conditions. Moving beyond the limitations of conventional theoretical/analytical treatments of non-equilibrium solute partitioning, these results serve to substantiate recent experimental findings and analytical treatments for single-phase rapid solidification. The departure from the equilibrium solid concentration at the solid-liquid interface was often observed during rapid solidification, and the energetic associated non-equilibrium solute partitioning has been treated in detail, providing possible ranges of interface concentrations for a given growth condition. Use of these treatments for analytical description of specific single-phase dendritic and cellular operating point selection, however, requires a model for solute partitioning under a given set of growth conditions. Therefore, analytical solute trapping models which describe the chemical partitioning as a function of steady state interface velocities have been developed and widely utilized in most of the theoretical investigations of rapid solidification. However, these

  5. Nonequilibrium hydrogen combustion in one- and two-phase supersonic flow

    SciTech Connect

    Chang, H.T.; Hourng, L.W.; Chien, L.C.

    1997-05-01

    A time-splitting method for the numerical simulation of stiff nonequilibrium combustion problem was developed. The algorithm has been applied to simulate the shock-induced combustion and to investigate a supersonic one-and two-phase flowfield. The results are physically reasonable and demonstrate that the presence of particles has a dramatic effect on the nozzle flowfield and the thrust. Supersonic combustion usually happens in high speed flying aerodynamic problems, such as supersonic combustion ramjet (scramjet) engine for hypersonic airbreathing vehicles. Particularly for the scramjet engine, due to short residence time in the combustion chamber, it still contains incomplete combustion fuel as it enters the nozzle. For solid propellant rocket motors, the exhaust stream contains particles of aluminum oxide. In these two-phase nozzle flows, transfer of momentum and heat between gas particles often result in a decrease of nozzle efficiency.

  6. Cortical Phase Transitions, Nonequilibrium Thermodynamics and the Time-Dependent Ginzburg-Landau Equation

    NASA Astrophysics Data System (ADS)

    Freeman, Walter J.; Livi, Roberto; Obinata, Masashi; Vitiello, Giuseppe

    The formation of amplitude modulated and phase modulated assemblies of neurons is observed in the brain functional activity. The study of the formation of such structures requires that the analysis has to be organized in hierarchical levels, microscopic, mesoscopic, macroscopic, each with its characteristic space-time scales and the various forms of energy, electric, chemical, thermal produced and used by the brain. In this paper, we discuss the microscopic dynamics underlying the mesoscopic and the macroscopic levels and focus our attention on the thermodynamics of the nonequilibrium phase transitions. We obtain the time-dependent Ginzburg-Landau equation for the nonstationary regime and consider the formation of topologically nontrivial structures such as the vortex solution. The power laws observed in functional activities of the brain is also discussed and related to coherent states characterizing the many-body dissipative model of brain.

  7. In Situ X-ray Diffraction Studies of Metastable Phase Formation in Fe83B17 using Electrostatic Levitation

    NASA Astrophysics Data System (ADS)

    Quirinale, Dante G.; Rustan, Gustav E.; Kreyssig, Andreas; Goldman, Alan I.

    2015-03-01

    The Fe-B system has been broadly studied for its use in magnetic materials as well as its ready glass forming ability, yet the nature of the metastable structures commonly resulting from devitrification is not well understood. The solidification of eutectic Fe83B17 into both the metastable Fe23B6 and the stable Fe2B phases was probed in situ at Beamline 6-ID-D, Advanced Photon Source. Using a combination of high-energy x-ray diffraction and containerless processing via electrostatic levitation and laser heating, high-framerate structural information was obtained from the undercooled liquid through solidification and solid-solid phase transitions during cooling. The results of quantitative sequential Rietveld refinements will be presented and compared with observations in similar materials. This work was supported by the National Science Foundation under Grants No. DMR-1308099 and DMR-0817157. The work at Ames Laboratory was supported by the US DOE, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering through Contract No. DE-AC02-07CH11358. This research used resources of the Advanced Photon Source, a US DOE Office of Science User Facility.

  8. Characterization of Cr-rich Cr-Sb multilayer films: Syntheses of a new metastable phase using modulated elemental reactants

    NASA Astrophysics Data System (ADS)

    Regus, Matthias; Mankovsky, Sergiy; Polesya, Svitlana; Kuhn, Gerhard; Ditto, Jeffrey; Schürmann, Ulrich; Jacquot, Alexandre; Bartholomé, Kilian; Näther, Christian; Winkler, Markus; König, Jan D.; Böttner, Harald; Kienle, Lorenz; Johnson, David C.; Ebert, Hubert; Bensch, Wolfgang

    2015-10-01

    The new metastable compound Cr1+xSb with x up to 0.6 has been prepared via a thin film approach using modulated elemental reactants and investigated by in-situ X-ray reflectivity, X-ray diffraction, differential scanning calorimetry, energy dispersive X-ray analysis as well as transmission electron microscopy and atomic force microscopy. The new Cr-rich antimonide crystallizes in a structure related to the Ni2In-type structure, where the crystallographic position (1/3, 2/3, 3/4) is partially occupied by excess Cr. The elemental layers of the pristine material interdiffused significantly before Cr1+xSb crystallized. A change in the activation energy was observed for the diffusion process when crystal growth starts. First-principles electronic structure calculations provide insight into the structural stability, magnetic properties and resistivity of Cr1+xSb. 2 interdiffused amorphous film 3 metastable crystalline phase 4 thermodynamic stable phase (and by-product)

  9. Equilibrium and nonequilibrium partition coefficients of volatile fission products between liquid sodium and the gas phase

    SciTech Connect

    Haga, K.; Nishizawa, Y.; Watanabe, T.; Miyahara, S.; Himeno, Y. )

    1992-02-01

    Two series of experiments have been conducted to obtain the gas-liquid equilibrium partition coefficient K{sub d} and the nonequilibrium partition coefficient K{prime}{sub d} of volatile fission products such as cesium, iodine, and tellurium between liquid sodium and the gas phase. In the equilibrium experiment, a sodium pool mixed with a fission product simulant was heated by a n electric furnace, and the solvent of the vapors and aerosols trapped by filters was quantitatively analyzed. The results provided in this paper are as follows: Cesium shows the largest K{sub d} (20 to 100). The K{sub d} values of cesium and iodine agree well with the theoretical ones reported by Castleman and Tang. If sodium telluride, which is harder to vaporize than pure tellurium, is assumed, the measured K{sub d} value of tellurium agrees with the theoretical. The nonequilibrium experiment in which the temperature dropped relatively sharply in the cover-gas region shows that K{prime}{sub d} was not larger than K{sub d}.

  10. An introduction to the Ginzburg-Landau theory of phase transitions and nonequilibrium patterns

    NASA Astrophysics Data System (ADS)

    Hohenberg, P. C.; Krekhov, A. P.

    2015-04-01

    This paper presents an introduction to phase transitions and critical phenomena on the one hand, and nonequilibrium patterns on the other, using the Ginzburg-Landau theory as a unified language. In the first part, mean-field theory is presented, for both statics and dynamics, and its validity tested self-consistently. As is well known, the mean-field approximation breaks down below four spatial dimensions, where it can be replaced by a scaling phenomenology. The Ginzburg-Landau formalism can then be used to justify the phenomenological theory using the renormalization group, which elucidates the physical and mathematical mechanism for universality. In the second part of the paper it is shown how near pattern forming linear instabilities of dynamical systems, a formally similar Ginzburg-Landau theory can be derived for nonequilibrium macroscopic phenomena. The real and complex Ginzburg-Landau equations thus obtained yield nontrivial solutions of the original dynamical system, valid near the linear instability. Examples of such solutions are plane waves, defects such as dislocations or spirals, and states of temporal or spatiotemporal (extensive) chaos.

  11. Strong correlation and multi-phase solution in nonequilibrium lattice systems coupled to dissipation medium

    NASA Astrophysics Data System (ADS)

    Han, Jong; Li, Jiajun; Aron, Camille; Kotliar, Gabriel

    2014-03-01

    How does a strongly correlated electronic solid evolve continuously out of equilibrium when an electric field is applied? While this question may seem deceptively simple, it requires rigorous understanding of dissipation. We formulate the nonequilibrium steady-state lattice coupled to fermion baths in the Coulomb gauge. We demonstrate that the Hubbard model solved using the iterative perturbation theory within the dynamical mean-field approximation recovers the DC conductivity independent of the Coulomb interaction in a very narrow linear response regime. Due to the singular dependence of the effective temperature on the damping in the steady-state [2], systems with damping have dramatic field-dependent effect, very different from dissipationless systems. We conclude that the dominant physics in lattice nonequilibrium is not the field vs quasi-particle energy, but rather the Joule heat vs the quasi-particle energy. Furthermore, we show that, in the vicinity of the Mott-insulator transition, the solution supports mixed-phase state scenario which indicates that the electron transport in solids under high-field can be spatially inhomogeneous leading to filamentary conducting paths, as suggested by experiments. Supported by NSF DMR-0907150, NSF DMR-1308141

  12. Nonequilibrium phase transitions in lattice systems with random-field competing kinetics

    NASA Astrophysics Data System (ADS)

    López-Lacomba, A. I.; Marro, J.

    1992-10-01

    We study a class of lattice interacting-spin systems evolving stochastically under the simultaneous operation of several spin-flip mechanisms, each acting independently and responding to a different applied magnetic field. This induces an extra randomness which may occur in real systems, e.g., a magnetic system under the action of a field varying with a much shorter period than the mean time between successive transitions. Such a situation-in which one may say in some sense that frustration has a dynamical origin- may also be viewed as a nonequilibrium version of the random-field Ising model. By following a method of investigating stationary probability distributions in systems with competing kinetics [P. L. Garrido and J. Marro, Phys. Rev. Lett. 62, 1929 (1989)], we solve one-dimensional lattices supporting different field distributions and transition rates for the elementary kinetical processes, thus revealing a rich variety of phase transitions and critical phenomena. Some exact results for lattices of arbitrary dimension, and comparisons with the standard quenched and annealed random-field models, and with a nonequilibrium diluted antiferromagnetic system, are also reported.

  13. First principles prediction of the metastability of the Ge2Mn phase and its synthesis pathways

    NASA Astrophysics Data System (ADS)

    Arras, E.; Slipukhina, I.; Torrent, M.; Caliste, D.; Deutsch, T.; Pochet, P.

    2010-06-01

    In this letter, we performed first principles calculations to investigate the stability of a [100]-compatible Ge2Mn compound. Based on a thermodynamical approach, we propose and assess the C16 structure (Al2Cu prototype) to be only slightly metastable as compared to the other Ge-Mn compounds. The reported structural and magnetic properties of this Ge2Mn compound make it a potentially interesting compound for spintronic applications, all the more since a simple way to stabilize it as a bulk film is proposed.

  14. Radial Distribution of Martensitic Phase Transformation in a Metastable Stainless Steel under Torsional Deformation: A Synchrotron X-ray Diffraction Study

    SciTech Connect

    Cakmak, Ercan; Choo, Hahn; An, Ke; Ren, Yang

    2011-01-01

    The strain-induced martensitic phase transformation in a metastable 304 L stainless steel under torsional deformation was investigated using synchrotron X-ray diffraction. The measured radial distribution of the martensite phase fraction in a solid cylindrical specimen agrees well with the prediction based on a combination of transformation kinetics and a radial plastic strain distribution equation.

  15. Phase decomposition and nano structure evolution of metastable nanocrystalline Cu-Co solid solutions during thermal treatment

    NASA Astrophysics Data System (ADS)

    Bachmaier, A.; Stolpe, M.; Müller, T.; Motz, C.

    2015-08-01

    Nanocrystalline and ultrafine-grained Cu100-xCox (x = 26 and 76) solid solutions have been prepared by severe plastic deformation (SPD) of elemental powder mixtures. For both concentrations a supersaturated solid solution fcc phase was identified after the deformation process with grain sizes of less than 50 nm for Co rich solutions and around 100 nm for Cu rich solutions. Additionally, synthesis of nanocrystalline materials in the Cu-Co alloy system by electrodeposition has been conducted. Microstructural characterization by scanning and transmission electron microscopy, differential scanning calorimetry, and microhardness measurements are used to investigate the structural evolution, the thermal stability and mechanical properties of the different nanocrystalline Cu-Co alloy materials during isothermal and non-isothermal annealing. In this study it is shown that the phase decomposition of the metastable Cu-Co solid solutions has a significant influence on their thermal stability, which can be linked to the underlying microstructure that forms during annealing.

  16. One-Dimensional Self-Organization and Nonequilibrium Phase Transition in a Hamiltonian System

    NASA Astrophysics Data System (ADS)

    Wang, Jiao; Casati, Giulio

    2017-01-01

    Self-organization and nonequilibrium phase transitions are well known to occur in two- and three-dimensional dissipative systems. Here, instead, we provide numerical evidence that these phenomena also occur in a one-dimensional Hamiltonian system. To this end, we calculate the heat conductivity by coupling the two ends of our system to two heat baths at different temperatures. It is found that when the temperature difference is smaller than a critical value, the heat conductivity increases with the system size in power law with an exponent considerably smaller than 1. However, as the temperature difference exceeds the critical value, the system's behavior undergoes a transition and the heat conductivity tends to diverge linearly with the system size. Correspondingly, an ordered structure emerges. These findings suggest a new direction for exploring the transport problems in one dimension.

  17. Impurity-tuned non-equilibrium phase transition in a bacterial carpet

    NASA Astrophysics Data System (ADS)

    Hsiao, Yi-Teng; Wu, Kuan-Ting; Uchida, Nariya; Woon, Wei-Yen

    2016-05-01

    The effects of impurity on the non-equilibrium phase transition in Vibrio alginolyticus bacterial carpets are investigated through a position-sensitive-diode implemented optical tweezers-microsphere assay. The collective flow increases abruptly as we increase the rotation rate of flagella via Na+ concentration. The effects of impurities on the transition behavior are examined by mixing cells of a wild type strain (VIO5) with cells of a mutant strain (NMB136) in different swimming patterns. For dilute impurities, the transition point is shifted toward higher Na+ concentration. Increasing the impurities' ratio to over 0.25 leads to a significant drop in the collective force, suggesting a partial orientational order with a smaller correlation length.

  18. Damage of Honeybee Colonies and Non-Equilibrium Percolation Phase Transition

    NASA Astrophysics Data System (ADS)

    Zhang, Peipei; Su, Beibei; He, Da-Ren

    Recently the mechanism of the damage caused by invasion of Apis mellifera capensis honeybee into the normal A. M. Scutellata colonies became interesting for scientists due to the fact that the mechanism may resemble those of cancer vicious hyperplasia, spreading of some epidemic, and turbulence of society induced by some bad society groups. We suggest a new guess that losing control of self-reproduction disturbs and throws information structure of the society into confuse. We simulate the damage process with a cellular automata based on the guess. The simulation shows that the process is equivalent to a non-equilibrium percolation phase transition. This discussion remind us that the management and monitor on the information network between society members may be a more effective way for avoiding the overflow of the destructor sub-colonies.

  19. Thermally activated phase slips from metastable states in mesoscopic superconducting rings

    NASA Astrophysics Data System (ADS)

    Petkovic, Ivana; Lollo, Anthony; Harris, Jack

    In equilibrium, a flux-biased superconducting ring at low temperature can occupy any of several metastable states. The particular state that the ring occupies depends on the history of the applied flux, as different states are separated from each other by flux-dependent energy barriers. There is a critical value of the applied flux at which a given barrier goes to zero, the state becomes unstable, and the system transition into another state. In recent experiments performed on arrays of rings we showed that this transition occurs close to the critical flux predicted by Ginzburg-Landau theory. Here, we will describe experiments in which we have extended these measurements to an individual ring in order to study the thermal activation of the ring over a barrier that has been tuned close to zero. We measure the statistics of transitions as function of temperature and ramp rate.

  20. Metastable phases in the aluminum-germanium alloy system: Synthesis by mechanical alloying and pressure induced transformations

    SciTech Connect

    Yvon, Pascal

    1994-01-01

    Al and Ge form a simple equilibrium eutectic with limited mutual solubility and no intermetallic intermediate phases. We used a regular solution approach to model effects of pressure on Al-Ge. Effects of pressure are to extend solubility of Ge in Al, to displace the eutectic composition towards the Ge rich side, and to slightly decrease the eutectic temperature. We designed thermobaric treatments to induce crystal-to-glass transformations in fine grain mixtures of Al and Ge. We used Merrill-Bassett diamond anvil cells to perform experiments at high pressures. We built an x-ray apparatus to determine the structure of alloys at pressure and from cryogenic temperatures to 400C. Two-phase Al-Ge samples with fine microstructures were prepared by splat-quenching and mechanical alloying. We observed a crystal-to-glass transformation at about 80 kbar. The amorphous phase formed was metastable at ambient temperature after pressure release. This was confirmed by TEM. The amorphous phase obtained by pressurization was found to have a liquid-like structure and was metallic. In the TEM samples we also observed the presence of a second amorphous phase formed upon release of the pressure. This second phase had a tetrahedrally-bonded continuous random network structure, similar to that of semi-conducting amorphous germanium.

  1. On the metastability of the hexatic phase during the melting of two-dimensional charged particle solids

    SciTech Connect

    Derzsi, Aranka; Kovács, Anikó Zs.; Donkó, Zoltán; Hartmann, Peter

    2014-02-15

    For two-dimensional many-particle systems, first-order, second-order, single step continuous, as well as two-step continuous (KTHNY-like) melting transitions have been found in previous studies. Recent computer simulations, using particle numbers in the ≥10{sup 5} range, as well as a few experimental studies, tend to support the two-step scenario, where the solid and liquid phases are separated by a third, so called hexatic phase. We have performed molecular dynamics simulations on Yukawa (Debye-Hückel) systems at conditions earlier predicted to belong to the hexatic phase. Our simulation studies on the time needed for the equilibration of the systems conclude that the hexatic phase is metastable and disappears in the limit of long times. We also show that simply increasing the particle number in particle simulations does not necessarily result in more accurate conclusions regarding the existence of the hexatic phase. The increase of the system size has to be accompanied with the increase of the simulation time to ensure properly thermalized conditions.

  2. ScGaN alloy growth by molecular beam epitaxy: Evidence for a metastable layered hexagonal phase

    SciTech Connect

    Constantin, Costel; Al-Brithen, Hamad; Haider, Muhammad B.; Ingram, David; Smith, Arthur R.

    2004-11-15

    Alloy formation in ScGaN is explored using rf molecular beam epitaxy over the Sc fraction range x=0-100%. Optical and structural analysis show separate regimes of growth, namely (I) wurtzitelike but having local lattice distortions in the vicinity of the Sc{sub Ga} substitutions for small x (x{<=}0.17) (II) a transitional regime for intermediate x, and (III) cubic, rocksaltlike for large x(x{>=}0.54). In regimes I and III, the direct optical transition decreases approximately linearly with increasing x but with an offset over region II. Importantly, it is found that for regime I, an anisotropic lattice expansion occurs with increasing x in which a increases much more than c. These observations support the prediction of Farrer and Bellaiche [Phys. Rev. B 66, 201203-1 (2002)] of a metastable layered hexagonal phase of ScN, denoted h-ScN.

  3. Connecting the Water Phase Diagram to the Metastable Domain: High-Pressure Studies in the Supercooled Regime.

    PubMed

    Fanetti, Samuele; Pagliai, Marco; Citroni, Margherita; Lapini, Andrea; Scandolo, Sandro; Righini, Roberto; Bini, Roberto

    2014-11-06

    Pressure is extremely efficient to tune intermolecular interactions, allowing the study of the mechanisms regulating, at the molecular level, the structure and dynamics of condensed phases. Among the simplest molecules, water represents in many respects a mystery despite its primary role in ruling most of the biological, physical, and chemical processes occurring in nature. Here we report a careful characterization of the dynamic regime change associated with low-density and high-density forms of liquid water by measuring the line shape of the OD stretching mode of HOD in liquid water along different isotherms as a function of pressure. Remarkably, the high-pressure studies have been here extended down to 240 K, well inside the supercooled regime. Supported by molecular dynamics simulations, a correlation among amorphous and crystalline solids and the two different liquid water forms is attempted to provide a unified picture of the metastable and thermodynamic regimes of water.

  4. Metastability in pixelation patterns of coexisting fluid lipid bilayer phases imposed by e-beam patterned substrates.

    PubMed

    Ogunyankin, Maria O; Longo, Marjorie L

    2013-02-14

    We study the dynamic evolution of pixilation patterns of the liquid-ordered (Lo) phase in coexistence with the liquid-disordered phase in lipid multibilayers. The pixilation patterns were formed by imposing lattice patterns of localized high curvature on phase-separating multibilayers using curvature-patterned regions of an underlying support. The projected radius of underlying hemisphere-like features, that provided the local curvature, was varied from 60 nm to 100 nm and the square lattice spacing between the features was varied between 200 nm and 400 nm using standard electron (e) -beam lithography. Over time, the area fraction of the Lo phase on the patterned regions of the substrate decreased toward zero at room temperature. This apparent metastability of the pattern derives from the high line energy of a pixelation pattern where a Boltzmann distribution shows near zero equilibrium partitioning of the Lo phase in the patterned regions. Kinetic rate analysis identifies two pattern-dependent mechanisms that dominate the transition to zero Lo area fraction; diffusion limited dissolution of the Lo phase driven by an Ostwald ripening-type process or the cooperative formation of vesicles containing Lo phase lipids. Interestingly, we observed the spontaneous formation of tubules in the corners of the array due to the high local curvature applied to the membrane. Furthermore we show that it is possible to regenerate pixilation patterns on the curvature-patterned regions by cooling below room temperature. Regenerated area fractions are in agreement with a room-temperature composition of primarily Ld phase and the high degree of overlap with the original patterns is suggestive of fixed nucleation sites.

  5. Anomalous long-range correlations at a non-equilibrium phase transition

    NASA Astrophysics Data System (ADS)

    Gerschenfeld, A.; Derrida, B.

    2012-02-01

    Non-equilibrium diffusive systems are known to exhibit long-range correlations, which decay like the inverse 1/L of the system size L in one dimension. Here, taking the example of the ABC model, we show that this size dependence becomes anomalous (the decay becomes a non-integer power of L) when the diffusive system approaches a second-order phase transition. This power-law decay as well as the L-dependence of the time-time correlations can be understood in terms of the dynamics of the amplitude of the first Fourier mode of the particle densities. This amplitude evolves according to a Langevin equation in a quartic potential, which was introduced in a previous work to explain the anomalous behavior of the cumulants of the current near this second-order phase transition. Here we also compute some of these cumulants away from the transition and show that they become singular as the transition is approached, matching with what we already knew in the critical regime.

  6. Metastable Phases of Rapidly Solidified Al-Rich Al-Fe Alloys

    DTIC Science & Technology

    1984-01-01

    same contrast. 20 FIGURE 9. Convergent beam diffraction pattern taken from a single crystal globular "S" phase. 21 FIGURE 10. The flower -like phase. 21...FIGURE 11. Convergent beam diffraction pattern obtained from the flower -like phase. 21 iii "- "’., % i ’ % " PAGE FIGURE 12. At-i wt.% Fe. Cellular...any of the previously reported aluminum-rich phases (Al3Fe, AlxFe, AI6Fe, A19Fe2, or AlmFe) [2,3]. An additional flower - shaped phase was detected in

  7. Non-equilibrium phase map, optical and electrical properties of Cu-Zn-O alloys

    NASA Astrophysics Data System (ADS)

    Subramaniyan, Archana; Perkins, John; O'Hayre, Ryan; Ginley, David; Lany, Stephan; Zakutayev, Andriy

    2014-03-01

    Cuprous oxide (Cu2O) is a candidate p-type solar cell absorber material that has been spotlighted recently due to its low cost, earth abundant and non-toxic nature. The maximum reported efficiency of Cu2O based solar cells is rather low (5. 38%) and it can in part be attributed its forbidden direct band gap (2.1 eV) and higher absorption threshold (2.6 eV). Here, we alloy Cu2O with ZnO via combinatorial RF magnetron sputtering as a function of temperature (T) and composition at fixed 20 mTorr Ar pressure to modify the electronic band structure and reduce its absorption threshold, which can potentially enhance the solar cell performance. A non-equilibrium Cu-Zn-O phase map was generated in the T range 100 - 400 °C and Zn composition 0 - 37 at%. Highly crystalline Cu2O structured Cu-Zn-O alloys with Zn content of 0 to 17 at% were synthesized in the T range 200 - 270 °C. With increasing Zn at%, the preferential orientation in Cu-Zn-O alloy changes from (200) to (111) direction. At lower T (<200 °C), either amorphous or poor crystalline Cu2O structured alloys were observed, whereas at higher T (>270 ° C) and higher Zn composition (>25 at%), CuO or ZnO second phases were observed. The absorption coefficient of all Cu-Zn-O alloys was higher than that of phase pure Cu2O. The absorption threshold () was also reduced significantly, for example, at = 2*104 cm-1 the absorption threshold of Cu-Zn-O alloy with 10 at% Zn reduced from 2.4 eV to 2.1 eV. The electrical conductivity of all Cu-Zn-O alloys was measured to be within 2 - 5 mS/cm.

  8. Driving force for a nonequilibrium phase transition in three-dimensional complex plasmas

    NASA Astrophysics Data System (ADS)

    Zhukhovitskii, D. I.

    2017-03-01

    An example of the non-equilibrium phase transition is the formation of lanes when one kind of particle is driven against the other. According to experimental observation, lane formation in binary complex plasmas occurs when the smaller particles are driven through the stationary dust cloud of the larger particles. We calculate the driving force acting on a probe particle that finds itself in a quiescent cloud of particles in complex plasma of the low-pressure radio frequency discharge under microgravity conditions. It is shown that the nonzero driving force is a result of the dependence of the ion mean free path on the particle number density. If this effect is properly included in the model of similar complex plasmas, then one arrives at the driving force that changes its sign at the point where the probe and the dust particles have equal radii. If the probe is smaller than the dust particle, then the driving force is directed toward the discharge center and vice versa, in accordance with the experiment. The obtained results can serve as the ansatz for future investigation of the lane formation in complex plasmas.

  9. On the Influence of Athermal ω and α Phase Instabilities on the Scale of Precipitation of the α Phase in Metastable β-Ti Alloys

    NASA Astrophysics Data System (ADS)

    Zheng, Yufeng; Sosa, John M.; Fraser, Hamish L.

    2016-05-01

    In the presentation and manuscript in the International Conference on Solid-Solid Phase Transformations in Inorganic Materials (PTM 2015 conference), the authors presented the preliminary results showing that the nano-scale compositional and structural instabilities in the parent β phase in titanium alloys have significant influence on the subsequent phase transformations, such as α phase precipitation, by a combination of advanced electron microscopy and phase field simulation. The aim of the current research described in this paper has been to develop an understanding of the role of two instabilities in metastable β Ti alloys which may influence the scale of refined distributions of the α phase. The first of these involves the role of athermal ω phase on the nucleation of the α phase, and the second is the stability of the α phase itself during up-quenching experiments performed as a part of heat-treatment schedules that lead to refined distributions of this phase. The first investigation has involved heat treatments designed to ensure that the athermal ω phase is present at a temperature at which α nucleation is known, from previous research, to occur. It was found that the scale of α precipitation produced was "refined", rather than "super-refined". Hence, it is concluded that athermal ω plays no role in the nucleation of the α phase. The second investigation involves up-quenching of samples already containing an incipient "super-refined" distribution of the α phase to determine the stability of these distributions against such up-quenching. It has been found that the stability of the α phase is dependent on the composition, C 0( T), i.e., the alloy composition where, for a given temperature, T, the free energies of the α and β phases are equal.

  10. Metastable liquid-liquid phase transition in a single-component system with only one crystal phase and no density anomaly

    NASA Astrophysics Data System (ADS)

    Franzese, G.; Malescio, G.; Skibinsky, A.; Buldyrev, S. V.; Stanley, H. E.

    2002-11-01

    We investigate the phase behavior of a single-component system in three dimensions with spherically-symmetric, pairwise-additive, soft-core interactions with an attractive well at a long distance, a repulsive soft-core shoulder at an intermediate distance, and a hard-core repulsion at a short distance, similar to potentials used to describe liquid systems such as colloids, protein solutions, or liquid metals. We showed [Nature (London) 409, 692 (2001)] that, even with no evidence of the density anomaly, the phase diagram has two first-order fluid-fluid phase transitions, one ending in a gas-low-density-liquid (LDL) critical point, and the other in a gas-high-density-liquid (HDL) critical point, with a LDL-HDL phase transition at low temperatures. Here we use integral equation calculations to explore the three-parameter space of the soft-core potential and perform molecular dynamics simulations in the interesting region of parameters. For the equilibrium phase diagram, we analyze the structure of the crystal phase and find that, within the considered range of densities, the structure is independent of the density. Then, we analyze in detail the fluid metastable phases and, by explicit thermodynamic calculation in the supercooled phase, we show the absence of the density anomaly. We suggest that this absence is related to the presence of only one stable crystal structure.

  11. Discontinuous precipitation with metastable ζ phase in a Cu-8.6% Sn alloy

    NASA Astrophysics Data System (ADS)

    Wang, Zeng-Jie; Konno, Toyohiko J.

    2013-03-01

    Discontinuous precipitation (DP) in Cu-8.6 at% Sn alloy at 573 K has been studied using transmission electron microscopy and electron back scattered diffraction techniques. DP reactions occur only sporadically at grain boundaries after prolonged aging, giving rise to a cellular morphology. The supersaturated α‧ phase (face-centred cubic) phase decomposes not into the equilibrium α and ε phases as reported to date, but into the α and ζ (space group P63, a = 0.733, c = 0.786 nm) phases, the latter being stable above 835 K. These two phases possess the following orientation relationship (OR): ? . Well-defined habit planes do not exist. However, broad faces of ζ lamellae are often parallel to the ? ζ plane. The observed OR and cellular morphology have been interpreted by matching atomic rows across the phase boundaries in two perpendicular directions. Namely, the spacings of (110)α and (0001)ζ planes, which match across the broad faces of the ζ lamellae, are nearly the same, while, in a perpendicular direction, mismatch between (111)α and ? spacings amounts to 0.5%. The facing (111)α and ? planes form a coincidence site lattice, and atomic configurations in these planes both contain similar triangular atomic networks. It was also found that the orientation of the depleted α phase is often correlated with that of the adjoining α‧ grain. This correlation indicated that the OR hold successively upon α‧ → ζ → α transformation. Possible orientations of the α phase have been enumerated, as supervariants to the adjoining α‧ grains mediated by the ζ phase.

  12. In Situ Observation of the Competition Between Metastable and Stable Phases in Solidification of Undercooled Fe-17at. pctB Alloy Melt

    NASA Astrophysics Data System (ADS)

    Zhang, Di; Xu, Junfeng; Liu, Feng

    2015-11-01

    High-speed video (HSV) technique was used to investigate the solidification behavior of undercooled Fe-17at. pctB alloy melt. Competitive growth between Fe/Fe3B (metastable eutectic) and Fe/Fe2B (stable eutectic) was captured, which is correlated with the critical nucleation undercooling Δ Tn^{*} [=104 K (104 °C)] and the critical growth undercooling Δ T_{g}^{*} [=151 K 183 K (151 °C 183 °C)]. For the initial undercooling, Δ T < Δ Tn^{*} , only the stable eutectic reaction (L → Fe/Fe2B) occurs during solidification, whereas, for Δ T > Δ Tn^{*} , the metastable eutectic reaction (L → Fe/Fe3B) occurs firstly, followed by the stable eutectic reaction. Nevertheless, Δ T > Δ Tn^{*} does not guarantee that the metastable phase (Fe3B) appears finally. Only if Δ T > Δ T_{g}^{*} , Fe3B phase can be found in the room microstructure, as the growth velocity of metastable eutectic (Fe/Fe3B) is larger than stable eutectic (Fe/Fe2B) from HSV results; otherwise, the final structure consists of Fe2B and α-Fe. Accordingly, not only the competitive nucleation, but the competitive growth also determines the final microstructure of Fe-17at. pctB alloy.

  13. Metastable phases of 2D boron sheets on Ag(1 1 1)

    NASA Astrophysics Data System (ADS)

    Zhong, Qing; Zhang, Jin; Cheng, Peng; Feng, Baojie; Li, Wenbin; Sheng, Shaoxiang; Li, Hui; Meng, Sheng; Chen, Lan; Wu, Kehui

    2017-03-01

    Two reproducible new phases of 2D boron sheets have been found on Ag(1 1 1). One of them shares the identical atomic structure of the previously reported S1 phase (β 12 sheet) but has a different rotational relationship with the substrate, and thus exhibits very different features in scanning tunneling microscopy (STM) images. The other new phase has a hexagonal symmetry and is proposed to be the long-expected α-sheet. Both of these two boron sheets are confirmed to be metallic by scanning tunneling spectroscopy.

  14. Plasma-Enhanced Chemical Vapor Deposition of Beta-Tungsten, a Metastable Phase,

    DTIC Science & Technology

    the resistivity drops below 11 micron omega cm. Concomitant with this resistivity change is a phase change to alpha-W, the equilibrium, body - centered - cubic form. Additional keywords: reprint; and Army research.

  15. Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure

    NASA Astrophysics Data System (ADS)

    Flores Livas, Jose; Amsler, Maximilian; Sanna, Antonio; Heil, Christoph; Boeri, Lilia; Profeta, Gianni; Wolverton, Crhis; Goedecker, Stefan; Gross, E. K. U.

    Recently, compressed phosphine was reported to metallize at pressures above 45 GPa, reaching a superconducting transition temperature (Tc) of 100 K at 200 GPa. However, neither the exact composition nor the crystal structure of the superconducting phase have been conclusively determined. In this work the phase diagram of PHn (n = 1 , 2 , 3 , 4 , 5 , 6) was extensively explored by means of ab initio crystal structure prediction methods. The results do not support the existence of thermodynamically stable PHn compounds, which exhibit a tendency for elemental decomposition at high pressure even when vibrational contributions to the free energies are taken into account. Although the lowest energy phases of PH1 , 2 , 3 display Tc's comparable to experiments, it remains questionable if the measured values of Tc can be fully attributed to a phase-pure compound of PHn. This work was done within the NCCR MARVEL project.

  16. Entropic screening preserves non-equilibrium nature of nematic phase while enthalpic screening destroys it

    NASA Astrophysics Data System (ADS)

    Dan, K.; Roy, M.; Datta, A.

    2016-02-01

    The present manuscript describes the role of entropic and enthalpic forces mediated by organic non-polar (hexane) and polar (methanol) solvents on the bulk and microscopic phase transition of a well known nematic liquid crystalline material MBBA (N-(4-methoxybenzylidene)-4-butylaniline) through Differential Scanning calorimetry (DSC), UV-Visible (UV-Vis), and Fourier Transform Infrared (FTIR) spectroscopy. DSC study indicates continuous linear decreases in both nematic-isotropic (N-I) phase transition temperature and enthalpy of MBBA in presence of hexane while both these parameters show a saturation after an initial decay in methanol. These distinct transitional behaviours were explained in terms of the "depletion force" model for entropic screening in hexane and "screening-self-screening" model for methanol. Heating rate dependent DSC studies find that non-Arrhenius behaviour, characteristic of pristine MBBA and a manifestation of non-equilibrium nature [Dan et al., J. Chem. Phys. 143, 094501 (2015)], is preserved in presence of entropic screening in the hexane solution, while it changes to Arrhenius behaviour (signifying equilibrium behaviour) in presence of enthalpic screening in methanol solution. FTIR spectra show similar dependence on the solvent induced screening in the intensities of the imine (—C = N) stretch and the out-of-plane distortion vibrations of the benzene rings of MBBA with hexane and methanol as in DSC, further establishing our entropic and enthalpic screening models. UV-Vis spectra of the electronic transitions in MBBA as a function of temperature also exhibit different dependences of intensities on the solvent induced screening, and an exponential decrease is observed in presence of hexane while methanol completely changes the nature of interaction to follow a linear dependence.

  17. The Nonequilibrium Phase and Glass Transition Behavior of β-Lactoglobulin

    PubMed Central

    Parker, Roger; Noel, Timothy R.; Brownsey, Geoffrey J.; Laos, Katrin; Ring, Stephen G.

    2005-01-01

    Concentrated solutions of bovine β-lactoglobulin were studied using osmotic stress and rheological techniques. At pH 6.0 and 8.0, the osmotic pressure was largely independent of NaCl concentration and could be described by a hard sphere equation of state. At pH 5.1, close to the isoelectric point, the osmotic pressure was lower at the lower NaCl concentrations (0 mM, 100 mM) and was fitted by an adhesive hard sphere model. Liquid-liquid phase separation was observed at pH 5.1 at ionic strengths of 13 mM and below. Comparison of the liquid-liquid and literature solid-liquid coexistence curves showed these solutions to be supersaturated and the phase separation to be nonequilibrium in nature. In steady shear, the zero shear viscosity of concentrated solutions at pH 5.1 was observed at shear rates above 50 s−1. With increasing concentration, the solution viscosity showed a progressive increase, a behavior interpreted as the approach to a colloidlike glass transition at ∼60% w/w. In oscillatory shear experiments, the storage modulus crossed the loss modulus at concentrations of 54% w/w, an indication of the approaching glass transition. Comparison of the viscous behavior with predictions from the Krieger-Dougherty equation indicates the hydrodynamic size of the protein decreases with increasing concentration, resulting in a slower approach to the glass transition than a hard sphere system. PMID:15923230

  18. Entropic screening preserves non-equilibrium nature of nematic phase while enthalpic screening destroys it

    SciTech Connect

    Dan, K.; Roy, M.; Datta, A.

    2016-02-14

    The present manuscript describes the role of entropic and enthalpic forces mediated by organic non-polar (hexane) and polar (methanol) solvents on the bulk and microscopic phase transition of a well known nematic liquid crystalline material MBBA (N-(4-methoxybenzylidene)-4-butylaniline) through Differential Scanning calorimetry (DSC), UV-Visible (UV–Vis), and Fourier Transform Infrared (FTIR) spectroscopy. DSC study indicates continuous linear decreases in both nematic-isotropic (N-I) phase transition temperature and enthalpy of MBBA in presence of hexane while both these parameters show a saturation after an initial decay in methanol. These distinct transitional behaviours were explained in terms of the “depletion force” model for entropic screening in hexane and “screening-self-screening” model for methanol. Heating rate dependent DSC studies find that non-Arrhenius behaviour, characteristic of pristine MBBA and a manifestation of non-equilibrium nature [Dan et al., J. Chem. Phys. 143, 094501 (2015)], is preserved in presence of entropic screening in the hexane solution, while it changes to Arrhenius behaviour (signifying equilibrium behaviour) in presence of enthalpic screening in methanol solution. FTIR spectra show similar dependence on the solvent induced screening in the intensities of the imine (—C = N) stretch and the out-of-plane distortion vibrations of the benzene rings of MBBA with hexane and methanol as in DSC, further establishing our entropic and enthalpic screening models. UV–Vis spectra of the electronic transitions in MBBA as a function of temperature also exhibit different dependences of intensities on the solvent induced screening, and an exponential decrease is observed in presence of hexane while methanol completely changes the nature of interaction to follow a linear dependence.

  19. Phase field theory of interfaces and crystal nucleation in a eutectic system of fcc structure: II. Nucleation in the metastable liquid immiscibility region.

    PubMed

    Tóth, Gyula I; Gránásy, László

    2007-08-21

    In the second part of our paper, we address crystal nucleation in the metastable liquid miscibility region of eutectic systems that is always present, though experimentally often inaccessible. While this situation resembles the one seen in single component crystal nucleation in the presence of a metastable vapor-liquid critical point addressed in previous works, it is more complex because of the fact that here two crystal phases of significantly different compositions may nucleate. Accordingly, at a fixed temperature below the critical point, six different types of nuclei may form: two liquid-liquid nuclei: two solid-liquid nuclei; and two types of composite nuclei, in which the crystalline core has a liquid "skirt," whose composition falls in between the compositions of the solid and the initial liquid phases, in addition to nuclei with concentric alternating composition shells of prohibitively high free energy. We discuss crystalline phase selection via exploring/identifying the possible pathways for crystal nucleation.

  20. Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure

    NASA Astrophysics Data System (ADS)

    Flores-Livas, José A.; Amsler, Maximilian; Heil, Christoph; Sanna, Antonio; Boeri, Lilia; Profeta, Gianni; Wolverton, Chris; Goedecker, Stefan; Gross, E. K. U.

    2016-01-01

    Hydrogen-rich compounds have been extensively studied both theoretically and experimentally in the quest for novel high-temperature superconductors. Reports on sulfur hydride attaining metallicity under pressure and exhibiting superconductivity at temperatures as high as 200 K have spurred an intense search for room-temperature superconductors in hydride materials. Recently, compressed phosphine was reported to metallize at pressures above 45 GPa, reaching a superconducting transition temperature (TC) of 100 K at 200 GPa. However, neither the exact composition nor the crystal structure of the superconducting phase have been conclusively determined. In this work, the phase diagram of PHn (n =1 ,2 ,3 ,4 ,5 ,6 ) was extensively explored by means of ab initio crystal structure predictions using the minima hopping method (MHM). The results do not support the existence of thermodynamically stable PHn compounds, which exhibit a tendency for elemental decomposition at high pressure even when vibrational contributions to the free energies are taken into account. Although the lowest energy phases of PH1 ,2 ,3 display TC's comparable to experiments, it remains uncertain if the measured values of TC can be fully attributed to a phase-pure compound of PHn.

  1. Simple models for heterogeneous catalysis: Phase transition-like behavior in nonequilibrium systems

    NASA Astrophysics Data System (ADS)

    Meakin, Paul; Scalapino, Douglas J.

    1987-07-01

    A simple model for heterogeneous catalysis, recently introduced by Ziff, Gulari, and Barshad (ZGB), has been explored using computer simulation. This is a nonequilibrium model which exhibits phase transition-like behavior. The only parameter in this model (Y) sets the ratio with which two reactive species (A and B2) are fed to the surface (lattice). On the square lattice, ZGB found a range of values of this parameter for which steady states with nonzero A and B concentrations occur. Outside of this range, the surface becomes completely covered with A or B sites. The range of Y values corresponding to steady state with nonzero A and B concentrations is bounded by two ``critical'' values Y1 and Y2. For values of Y close to but above Y1 we have obtained approximate values for the exponents which describe the dependence of the steady-state densities of A and B sites on (Y-Y1). These exponents both seem to have the same value independent of lattice details. We have extended the work of ZGB to the hexagonal lattice, one-dimensional lattice, and narrow strips. The results obtained for the hexagonal lattice are qualitatively similar to those obtained for the square lattice. For the 1D lattice and strips with a width of 2 lattice units, steady states with nonzero A and B site concentrations are not found. For widths of 3 or more lattice units, such steady states are found and the range of the relative probability parameter over which this behavior occurs grows steadily with increasing strip width. We have also obtained new results for the more simple C+D product reaction. Here C and D occupy single lattice sites and react immediately if they are nearest neighbors.

  2. Pressure Processing of Nanocube Assemblies Toward Harvesting of a Metastable PbS Phase.

    PubMed

    Wang, Tie; Li, Ruipeng; Quan, Zewei; Loc, Welley Siu; Bassett, William A; Xu, Hongwu; Cao, Y Charles; Fang, Jiye; Wang, Zhongwu

    2015-08-19

    This materials-by-design approach combines nanocrystal assembly with pressure processing to drive the attachment and coalescence of PbS nanocubes along directed crystallographic dimensions to form a large 3D porous architecture. This quenchable and strained mesostructure holds the storage of large internal stress, which stabilizes the high-pressure PbS phase in atmospheric conditions. Nanocube fusion enhances the structural stability; the large surface area maintains the size-dependent properties.

  3. High-Rate Intercalation without Nanostructuring in Metastable Nb2O5 Bronze Phases.

    PubMed

    Griffith, Kent J; Forse, Alexander C; Griffin, John M; Grey, Clare P

    2016-07-20

    Nanostructuring and nanosizing have been widely employed to increase the rate capability in a variety of energy storage materials. While nanoprocessing is required for many materials, we show here that both the capacity and rate performance of low-temperature bronze-phase TT- and T-polymorphs of Nb2O5 are inherent properties of the bulk crystal structure. Their unique "room-and-pillar" NbO6/NbO7 framework structure provides a stable host for lithium intercalation; bond valence sum mapping exposes the degenerate diffusion pathways in the sites (rooms) surrounding the oxygen pillars of this complex structure. Electrochemical analysis of thick films of micrometer-sized, insulating niobia particles indicates that the capacity of the T-phase, measured over a fixed potential window, is limited only by the Ohmic drop up to at least 60C (12.1 A·g(-1)), while the higher temperature (Wadsley-Roth, crystallographic shear structure) H-phase shows high intercalation capacity (>200 mA·h·g(-1)) but only at moderate rates. High-resolution (6/7)Li solid-state nuclear magnetic resonance (NMR) spectroscopy of T-Nb2O5 revealed two distinct spin reservoirs, a small initial rigid population and a majority-component mobile distribution of lithium. Variable-temperature NMR showed lithium dynamics for the majority lithium characterized by very low activation energies of 58(2)-98(1) meV. The fast rate, high density, good gravimetric capacity, excellent capacity retention, and safety features of bulk, insulating Nb2O5 synthesized in a single step at relatively low temperatures suggest that this material not only is structurally and electronically exceptional but merits consideration for a range of further applications. In addition, the realization of high rate performance without nanostructuring in a complex insulating oxide expands the field for battery material exploration beyond conventional strategies and structural motifs.

  4. Modeling substorm dynamics of the magnetosphere: from self-organization and self-organized criticality to nonequilibrium phase transitions.

    PubMed

    Sitnov, M I; Sharma, A S; Papadopoulos, K; Vassiliadis, D

    2002-01-01

    Earth's magnetosphere during substorms exhibits a number of characteristic features such as the signatures of low effective dimension, hysteresis, and power-law spectra of fluctuations on different scales. The largest substorm phenomena are in reasonable agreement with low-dimensional magnetospheric models and in particular those of inverse bifurcation. However, deviations from the low-dimensional picture are also quite considerable, making the nonequilibrium phase transition more appropriate as a dynamical analog of the substorm activity. On the other hand, the multiscale magnetospheric dynamics cannot be limited to the features of self-organized criticality (SOC), which is based on a class of mathematical analogs of sandpiles. Like real sandpiles, during substorms the magnetosphere demonstrates features, that are distinct from SOC and are closer to those of conventional phase transitions. While the multiscale substorm activity resembles second-order phase transitions, the largest substorm avalanches are shown to reveal the features of first-order nonequilibrium transitions including hysteresis phenomena and a global structure of the type of a temperature-pressure-density diagram. Moreover, this diagram allows one to find a critical exponent, that reflects the multiscale aspect of the substorm activity, different from the power-law frequency and scale spectra of autonomous systems, although quite consistent with second-order phase transitions. In contrast to SOC exponents, this exponent relates input and output parameters of the magnetosphere. Using an analogy to the dynamical Ising model in the mean-field approximation, we show the connection between the data-derived exponent of nonequilibrium transitions in the magnetosphere and the standard critical exponent beta of equilibrium second-order phase transitions.

  5. Synthesis and catalytic activity of the metastable phase of gold phosphide

    SciTech Connect

    Fernando, Deshani; Nigro, Toni A. E.; Dyer, I. D.; Alia, Shaun M.; Pivovar, Bryan S.; Vasquez, Yolanda

    2016-10-01

    Recently, transition metal phosphides have found new applications as catalysts for the hydrogen evolution reaction that has generated an impetus to synthesize these materials at the nanoscale. In this work, Au2P3 was synthesized utilizing the high temperature decomposition of tri-n-octylphosphine as a source of elemental phosphorous. Gold nanorods were used as morphological templates with the aim of controlling the shape and size of the resulting gold phosphide particles. We demonstrate that the surface capping ligand of the gold nanoparticle precursors can influence the purity and extent to which the gold phosphide phase will form. Gold nanorods functionalized with 1-dodecanethiol undergo digestive ripening to produce discrete spherical particles that exhibit reduced reactivity towards phosphorous, resulting in low yields of the gold phosphide. In contrast, gold phosphide was obtained as a phase pure product when cetyltrimethylammonium bromide functionalized gold nanorods are used instead. The Au2P3 nanoparticles exhibited higher activity than polycrystalline gold towards the hydrogen evolution reaction.

  6. Crystallization, metastable phases, and demixing in a hafnia-titania nanolaminate annealed at high temperature

    SciTech Connect

    Cisneros-Morales, Massiel Cristina; Rubin Aita, Carolyn

    2010-09-15

    Nanolaminate films with a nominal 5 nm HfO{sub 2}-4 nm TiO{sub 2} bilayer architecture are sputter deposited on unheated fused silica and Au-coated glass substrates. Films on fused silica are postdeposition annealed from 573 to 1273 K and characterized by x-ray diffraction, scanning electron microscopy, Raman microscopy, and UV-visible-near IR spectrophotometry. The films show weak but progressive crystallization into orthorhombic (o) HfTiO{sub 4} when annealed up to 973 K. o-HfTiO{sub 4} is expected to form under bulk thermodynamic equilibrium conditions in the case of complete mixing of the bilayer components. Annealing above 973 K produces a crystallization sequence that is not predicted by bulk thermodynamics, ultimately involving o-HfTiO{sub 4} demixing to form monoclinic HfO{sub 2} doped with Ti and rutile TiO{sub 2} doped with Hf. These phases have a higher atomic density than o-HfTiO{sub 4} and segregate into discrete mesoscopic features. The authors propose that o-HfTiO{sub 4} demixing into higher density phases is a mechanism for thermal stress relief at high temperature. Demixing results in a major loss of optical transparency in the visible and ultraviolet spectral regions.

  7. Non-equilibrium processes by a gas phase synthesis of diamond

    NASA Astrophysics Data System (ADS)

    Rebrov, A. K.; Yudin, I. B.

    2016-11-01

    The analysis of influence of heterogeneous reactions in rarefied gas flows with dissociation and recombination is carried on for the first time, at least for hydrogen and methane flows. The flow in channels with heterogeneous reaction can be equilibrium and non-equilibrium, depending on a flow rate. Non-equilibrium effects are pronounced as a rule in the space between channel exit and substrate, where the activated gas flow to the surface of diamond deposition is formed. The gas dynamic analysis of gas jet deposition of diamond facilitates the optimization of experiments and their analysis.

  8. Quench dynamics and nonequilibrium phase diagram of the bose-hubbard model.

    PubMed

    Kollath, Corinna; Läuchli, Andreas M; Altman, Ehud

    2007-05-04

    We investigate the time evolution of correlations in the Bose-Hubbard model following a quench from the superfluid to the Mott insulator. For large values of the final interaction strength the system approaches a distinctly nonequilibrium steady state that bears strong memory of the initial conditions. In contrast, when the final interaction strength is comparable to the hopping, the correlations are rather well approximated by those at thermal equilibrium. The existence of two distinct nonequilibrium regimes is surprising given the nonintegrability of the Bose-Hubbard model. We relate this phenomenon to the role of quasiparticle interactions in the Mott insulator.

  9. Theoretical investigation of the long-lived metastable AlO2+ dication in gas phase

    NASA Astrophysics Data System (ADS)

    Sghaier, Onsi; Abdallah, Hassan H.; Abdullah, Hewa Y.; Jaidane, Nejm Eddine; Al Mogren, Muneerah Mogren; Hochlaf, Majdi

    2016-09-01

    We report the results of a detailed theoretical study of the electronic ground and excited states of the gas-phase doubly charged ion AlO2+ using high-level ab initio computer calculations. Both standard and explicitly correlated methods were used to calculate their potential energy curves and spectroscopic parameters. These computations show that the ground state of AlO2+ is X2Π. The internuclear equilibrium distance of AlO2+(X2Π) is computed 1.725 Å. We also deduced the adiabatic double ionization and charge stripping energies of AlO to be about 27.45 eV and 17.80 eV, respectively.

  10. Formation and stability of metastable structures and amorphous phases in PU-V, PU-TA, and PU-YB systems with positive heats of mixing

    NASA Astrophysics Data System (ADS)

    Rizzo, H. F.; Zocco, T.; Massalski, T. B.; Nastasi, M.; Echeverria, A.

    1994-08-01

    The triode sputtering technique with a “split-target” arrangement was used to obtain metastable crystalline and amorphous phases in the Pu-V, Pu-Ta, and Pu-Yb systems. The proposed phase diagrams for these systems all exhibit liquid immiscibility. The heats of mixing are estimated to be highly positive, and the atomic radii of the component atoms differ by at least 10 pct. Extended amorphous and body-centered cubic (bcc) solid-solution regions were observed in the Pu-V and Pu-Ta systems. The corresponding lattice parameters appear to follow in each case an assumed Vegard’s Law extension. In the Pu-Yb system, no amorphous phase was obtained, but an extended face-centered cubic (fcc) solid-solution region (24 to 78 at. pct Yb) was observed with a large positive deviation of the lattice parameter (˜9 pct at 40 at. pct Yb) from a linear Vegard’s Law between the pure fcc components. The observed ranges of amorphous and metastable solid-solution phases have been interpreted in terms of predicated heats of formation for these phases using Miedema’s thermodynamic approximations that include chemical, elastic, and structural contributions. The effect of the high deposition rates on the formation of amorphous and metastable phases has also been considered. Thermal annealing of Pu-Ta amorphous alloys brings about a rapid diffusion of Pu to the free surface of the amorphous phase without crystallization of the remaining Ta-rich amorphous phase. Microhardness measurements indicate that amorphous Pu-V and Pu-Ta alloys are softer than the crystalline bcc solid-solution alloys in the same composition range. Several similarities in the formation of mixed phase regions (amorphous and solid solutions), microhardness, and resistance to decomposition on heating were noted between the Pu-Ta and Pu-V systems and the Cu-W system studied previously.

  11. Toward a Multi-scale Phase Transition Kinetics Methodology: From Non-Equilibrium Statistical Mechanics to Hydrodynamics

    NASA Astrophysics Data System (ADS)

    Belof, Jonathan; Orlikowski, Daniel; Wu, Christine; McLaughlin, Keith

    2013-06-01

    Shock and ramp compression experiments are allowing us to probe condensed matter under extreme conditions where phase transitions and other non-equilibrium aspects can now be directly observed, but first principles simulation of kinetics remains a challenge. A multi-scale approach is presented here, with non-equilibrium statistical mechanical quantities calculated by molecular dynamics (MD) and then leveraged to inform a classical nucleation and growth kinetics model at the hydrodynamic scale. Of central interest is the free energy barrier for the formation of a critical nucleus, with direct NEMD presenting the challenge of relatively long timescales necessary to resolve nucleation. Rather than attempt to resolve the time-dependent nucleation sequence directly, the methodology derived here is built upon the non-equilibrium work theorem in order to bias the formation of a critical nucleus and thus construct the nucleation and growth rates. Having determined these kinetic terms from MD, a hydrodynamics implementation of Kolmogorov-Johnson-Mehl-Avrami (KJMA) kinetics and metastabilty is applied to the dynamic compressive freezing of water and compared with recent ramp compression experiments [Dolan et al., Nature (2007)] Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344.

  12. Condensation of N bosons. II. Nonequilibrium analysis of an ideal Bose gas and the laser phase-transition analogy

    NASA Astrophysics Data System (ADS)

    Kocharovsky, V. V.; Scully, Marlan O.; Zhu, Shi-Yao; Suhail Zubairy, M.

    2000-02-01

    A nonequilibrium approach to the dynamics and statistics of the condensate of an ideal N-atom Bose gas cooling via interaction with a thermal reservoir using the canonical ensemble is developed. We derive simple analytical expressions for the canonical partition function and equilibrium distribution of the number of atoms in the ground state of a trap under different approximations, and compare them with exact numerical results. The N-particle constraint associated with the canonical ensemble is usually a burden. In the words of Kittel, ``in the investigation of the Bose-Einstein...laws it is very inconvenient to impose the restriction that the number of particles in the subsystem shall be held constant.'' But in the present approach, based on the analogy between a second-order phase transition and laser threshold behavior, the N-particle constraint makes the problem easier. We emphasize that the present work provides another example of a case in which equilibrium (detailed balance) solutions to nonequilibrium equations of motion provide a useful supplementary approach to conventional statistical mechanics. We also discuss some dynamical and mesoscopic aspects of Bose-Einstein condensation. The conclusion is that the present analytical (but approximate) results, based on a nonequilibrium approach, are in excellent agreement with exact (but numerical) results. The present analysis has much in common with the quantum theory of the laser.

  13. Synthesis of metastable phases in Al-Nb powders by mechanical alloying

    SciTech Connect

    Peng, Z.; Suryanarayana, C.; Froes, F.H. )

    1992-08-15

    Recently there have been many investigations on the synthesis and properties of transition metal trialuminides based on titanium, zirconium, vanadium, niobium and tantalum for use as structural materials in an elevated temperature environment. This interest is due to their high strength-to-density ratios, high melting points and excellent oxidation resistance. Amongst these, niobium trialuminide (NbAl{sub 3}) has a high melting point (1605{degrees} C), possesses adequate oxidation resistance (a result of the formation of a protective alumina over-layer and a density (4.54 g/cc) which is lower than that of advanced Ni{sub 3}Al-based compounds (7.6 g/cc). However, NbAl{sub 3} melts congruently and since it has an extremely limited homogeneity range, it is difficult to ensure that the chemistry falls in this desired narrow range. Further, due to the intrinsic brittleness, niobium aluminide ingots crack during solidification. Some of these problems can be overcome by producing the NbAl{sub 3} compound through the powder metallurgy route. This paper reports on the successful synthesis of homogeneous NbAl{sub 3} and amorphous phases by mechanical alloying starting from elemental powders.

  14. Unconventional Luminescent Centers in Metastable Phases Created by Topochemical Reduction Reactions.

    PubMed

    Liu, Bo-Mei; Zhang, Zhi-Gang; Zhang, Kai; Kuroiwa, Yoshihiro; Moriyoshi, Chikako; Yu, Hui-Mei; Li, Chao; Zheng, Li-Rong; Li, Li-Na; Yang, Guang; Zhou, Yang; Fang, Yong-Zheng; Hou, Jing-Shan; Matsushita, Yoshitaka; Sun, Hong-Tao

    2016-04-11

    A low-temperature topochemical reduction strategy is used herein to prepare unconventional phosphors with luminescence covering the biological and/or telecommunications optical windows. This approach is demonstrated by using Bi(III)-doped Y2O3 (Y(2-x)Bi(x)O3) as a model system. Experimental results suggest that topochemical treatment of Y(2-x)Bi(x)O3 using CaH2 creates randomly distributed oxygen vacancies in the matrix, resulting in the change of the oxidation states of Bi to lower oxidation states. The change of the Bi coordination environments from the [BiO6] octahedra in Y(2-x)Bi(x)O3 to the oxygen-deficient [BiO(6-z)] polyhedra in reduced phases leads to a shift of the emission maximum from the visible to the near-infrared region. The generality of this approach was further demonstrated with other phosphors. Our findings suggest that this strategy can be used to explore Bi-doped or other classes of luminescent systems, thus opening up new avenues to develop novel optical materials.

  15. Mathematical modeling of gas-condensate mixture filtration in porous media taking into account non-equilibrium of phase transitions

    NASA Astrophysics Data System (ADS)

    Kachalov, V. V.; Molchanov, D. A.; Sokotushchenko, V. N.; Zaichenko, V. M.

    2016-11-01

    At the present time, a considerable part of the largest dry gas reservoirs in Russia are found in the stage of declining production, therefore active exploitation of gas-condensate fields will begin in the coming decades. There is a significant discrepancy between the project and the actual value of condensate recovery factor while producing reservoir of this type, which is caused by insufficient knowledge about non-equilibrium filtration mechanisms of gas-condensate mixtures in reservoir conditions. A system of differential equations to describe filtration process of two-phase multicomponent mixture for one-, two- and three-dimensional cases is presented in this work. The solution of the described system was made by finite-element method in the software package FlexPDE. Comparative distributions of velocities, pressures, saturations and phase compositions of three-component mixture along the reservoir model and in time in both cases of equilibrium and non-equilibrium filtration processes were obtained. Calculation results have shown that system deviation from the thermodynamic equilibrium increases gas phase flow rate and reduces liquid phase flow rate during filtration process of gas-condensate mixture.

  16. Complete suppression of metastable phase and significant enhancement of magnetic properties of B-rich PrFeB nanocomposites prepared by devitrifying amorphous ribbons

    NASA Astrophysics Data System (ADS)

    Zhang, W. Y.; Chiu, C. H.; Zhang, L. C.; Biswas, K.; Ehrenberg, H.; Chang, W. C.; Eckert, J.

    2007-01-01

    The effect of refractory element addition on phase transformation, crystallization behavior and magnetic properties of Pr 8.5Fe 81.5B 10 (addition-free) and Pr 8.5Fe 81.5M 2B 10 (M=V, Cr, Nb, Zr, Ti) ribbons has been investigated. The annealed addition-free ribbon as well as the samples with V or Cr additions are mainly composed of the metastable Pr 2Fe 23B 3 phase, whereas annealed ribbons with Nb, Zr or Ti additions primarily consist of Pr 2Fe 14B and a minor amount of Fe 3B/boride. The complete suppression of the metastable Pr 2Fe 23B 3 phase due to Nb, Zr or Ti additions leads to a significant enhancement of the magnetic properties. For example, the remanence, the coercivity and the energy product are remarkably increased from 2.5 kG, 0.4 kOe and 0.2 MG Oe for the addition-free material to 9.2 kG, 4.7 kOe and 7.6 MG Oe for the specimens with Nb addition. The successful elimination of the metastable Pr 2Fe 23B 3 phase is believed to profit from two factors: (a) Nb, Zr or Ti atoms substitute the Pr site, comparatively increase the Pr content, and thus inhibit the nucleation of Pr-lean Pr 2Fe 23B 3 phases, and (b) the formation of Nb, Zr, or Ti borides consumes some part of B, which hinders the generation of the B-rich Pr 2Fe 23B 3 phase.

  17. Appearance of metastable B2 phase during solidification of Ni 50 Zr 50 alloy: electrostatic levitation and molecular dynamics simulation studies

    SciTech Connect

    Quirinale, D. G.; Rustan, G. E.; Wilson, S. R.; Kramer, M. J.; Goldman, A. I.; Mendelev, M. I.

    2015-02-04

    High-energy x-ray diffraction measurements of undercooled, electrostatically levitated Ni50Zr50 liquid droplets were performed. The observed solidification pathway proceeded through the nucleation and growth of the metastable B2 phase, which persisted for several seconds before the rapid appearance of the stable B33 phase. This sequence is shown to be consistent with predictions from classical nucleation theory using data obtained from molecular dynamics (MD) simulations. A plausible mechanism for the B2–B33 transformation is proposed and investigated through further MD simulations.

  18. Appearance of metastable B2 phase during solidification of Ni50Zr50 alloy: electrostatic levitation and molecular dynamics simulation studies.

    PubMed

    Quirinale, D G; Rustan, G E; Wilson, S R; Kramer, M J; Goldman, A I; Mendelev, M I

    2015-03-04

    High-energy x-ray diffraction measurements of undercooled, electrostatically levitated Ni50Zr50 liquid droplets were performed. The observed solidification pathway proceeded through the nucleation and growth of the metastable B2 phase, which persisted for several seconds before the rapid appearance of the stable B33 phase. This sequence is shown to be consistent with predictions from classical nucleation theory using data obtained from molecular dynamics (MD) simulations. A plausible mechanism for the B2-B33 transformation is proposed and investigated through further MD simulations.

  19. Metastable tetragonal Cu2Se hyperbranched structures: large-scale preparation and tunable electrical and optical response regulated by phase conversion.

    PubMed

    Zhu, Jinbao; Li, Qiuyang; Bai, Liangfei; Sun, Yongfu; Zhou, Min; Xie, Yi

    2012-10-08

    Despite the promising applications of copper selenide nanoparticles, an in-depth elucidation of the inherent properties of tetragonal Cu(2)Se (β-Cu(2)Se) has not been performed because of the lack of a facile synthesis on the nanoscale and an energy-intensive strategy is usually employed. In this work, a facile wet-chemical strategy, employing HCOOH as reducing agent, has been developed to access single-crystalline metastable β-Cu(2)Se hyperbranched architectures for the first time. The process avoids hazardous chemistry and high temperatures, and thus opens up a facile approach to the large-scale low-cost preparation of metastable β-Cu(2)Se hyperbranched architectures. A possible growth mechanism to explain the formation of the β-Cu(2)Se dendritic morphology has been proposed based on time-dependent shape evolution. Further investigations revealed that the metastable β-Cu(2)Se can convert into the thermodynamically more stable cubic α-Cu(2-x)Se maintaining the dendritic morphology. An increase in electrical conductivity and a tunable optical response were observed under ambient conditions. This behavior can be explained by the oxidation of the surface of the β-Cu(2)Se hyperbranched structures, ultimately leading to solid-state phase conversion from β-Cu(2)Se into superionic conductor α-Cu(1.8)Se, which has potential applications in energy-related devices and sensors.

  20. New metastable hybrid phase, Zn 2(OH) 2(C 8H 4O 4), exhibiting unique oxo-penta-coordinated Zn(II) atoms

    NASA Astrophysics Data System (ADS)

    Carton, Anne; Mesbah, Adel; Aranda, Lionel; Rabu, Pierre; François, Michel

    2009-04-01

    The metastable phase ( phase 1) Zn(OH) 2(tp) 2 (tp = C 8H 4O 42-) was found to be an intermediate forming during the hydrothermal synthesis of Zn 3(OH) 4tp ( phase 2). Its structure has been determined ab initio from synchrotron powder diffraction data and refined with the Rietveld method: space group P2 1/ c, a = 3.48856(2) Å, b = 5.84645(2) Å, c = 22.1331(1) Å, β = 103.46(1)°, Dx = 2.488 g/cm 3, Rp = 0.10, RB = 0.095 (402 independent reflections). The structures of the two analogues were compared. Whereas a mixed coordination of the zinc atoms was found in phase 2, phase 1 exhibits only penta-coordinated Zn(II). Moreover, different optical properties were observed, Zn 2(OH) 2(tp) showing photoluminescence at 378 nm under λex = 316 nm.

  1. A phase-field approach to nonequilibrium phase transformations in elastic solids via an intermediate phase (melt) allowing for interface stresses.

    PubMed

    Momeni, Kasra; Levitas, Valery I

    2016-04-28

    A phase-field approach for phase transformations (PTs) between three different phases at nonequilibrium temperatures is developed. It includes advanced mechanics, thermodynamically consistent interfacial stresses, and interface interactions. A thermodynamic Landau-Ginzburg potential developed in terms of polar order parameters satisfies the desired instability and equilibrium conditions for homogeneous phases. The interfacial stresses were introduced with some terms from large-strain formulation even though the small-strain assumption was utilized. The developed model is applied to study the PTs between two solid phases via a highly disordered intermediate phase (IP) or an intermediate melt (IM) hundreds of degrees below the melting temperature. In particular, the β ↔ δ PTs in HMX energetic crystals via IM are analyzed. The effects of various parameters (temperature, ratios of widths and energies of solid-solid (SS) to solid-melt (SM) interfaces, elastic energy, and interfacial stresses) on the formation, stability, and structure of the IM within a propagating SS interface are studied. Interfacial and elastic stresses within a SS interphase and their relaxation and redistribution with the appearance of a partial or complete IM are analyzed. The energy and structure of the critical nucleus (CN) of the IM are studied as well. In particular, the interfacial stresses increase the aspect-ratio of the CN. Although including elastic energy can drastically reduce the energy of the CN of the IM, the activation energy of the CN of the IM within the SS interface increases when interfacial tension is taken into account. The developed thermodynamic potential can also be modified to model other multiphase physical phenomena, such as multi-variant martensitic PTs, grain boundary and surface-induced pre-melting and PTs, as well as developing phase diagrams for IPs.

  2. Metastable bcc phase formation in 3d ferromagnetic transition metal thin films sputter-deposited on GaAs(100) substrates

    SciTech Connect

    Minakawa, Shigeyuki Ohtake, Mitsuru; Futamoto, Masaaki; Kirino, Fumiyoshi; Inaba, Nobuyuki

    2015-05-07

    Co{sub 100−x}Fe{sub x} and Ni{sub 100−y}Fe{sub y} (at. %, x = 0–30, y = 0–60) films of 10 nm thickness are prepared on GaAs(100) substrates at room temperature by using a radio-frequency magnetron sputtering system. The detailed growth behavior is investigated by in-situ reflection high-energy electron diffraction. (100)-oriented Co and Ni single-crystals with metastable bcc structure are formed in the early stage of film growth, where the metastable structure is stabilized through hetero-epitaxial growth. With increasing the thickness up to 2 nm, the Co and the Ni films start to transform into more stable hcp and fcc structures through atomic displacements parallel to bcc(110) slide planes, respectively. The stability of bcc phase is improved by adding a small volume of Fe atoms into a Co film. The critical thickness of bcc phase formation is thicker than 10 nm for Co{sub 100−x}Fe{sub x} films with x ≥ 10. On the contrary, the stability of bcc phase for Ni-Fe system is less than that for Co-Fe system. The critical thicknesses for Ni{sub 100−y}Fe{sub y} films with y = 20, 40, and 60 are 1, 3, and 5 nm, respectively. The Co{sub 100−x}Fe{sub x} single-crystal films with metastable bcc structure formed on GaAs(100) substrates show in-plane uniaxial magnetic anisotropies with the easy direction along GaAs[011], similar to the case of Fe film epitaxially grown on GaAs(100) substrate. A Co{sub 100−x}Fe{sub x} film with higher Fe content shows a higher saturation magnetization and a lower coercivity.

  3. Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces.

    PubMed

    Spezia, Riccardo; Martínez-Nuñez, Emilio; Vazquez, Saulo; Hase, William L

    2017-04-28

    In this Introduction, we show the basic problems of non-statistical and non-equilibrium phenomena related to the papers collected in this themed issue. Over the past few years, significant advances in both computing power and development of theories have allowed the study of larger systems, increasing the time length of simulations and improving the quality of potential energy surfaces. In particular, the possibility of using quantum chemistry to calculate energies and forces 'on the fly' has paved the way to directly study chemical reactions. This has provided a valuable tool to explore molecular mechanisms at given temperatures and energies and to see whether these reactive trajectories follow statistical laws and/or minimum energy pathways. This themed issue collects different aspects of the problem and gives an overview of recent works and developments in different contexts, from the gas phase to the condensed phase to excited states.This article is part of the themed issue 'Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces'.

  4. Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces

    PubMed Central

    Spezia, Riccardo; Martínez-Nuñez, Emilio; Vazquez, Saulo; Hase, William L.

    2017-01-01

    In this Introduction, we show the basic problems of non-statistical and non-equilibrium phenomena related to the papers collected in this themed issue. Over the past few years, significant advances in both computing power and development of theories have allowed the study of larger systems, increasing the time length of simulations and improving the quality of potential energy surfaces. In particular, the possibility of using quantum chemistry to calculate energies and forces ‘on the fly’ has paved the way to directly study chemical reactions. This has provided a valuable tool to explore molecular mechanisms at given temperatures and energies and to see whether these reactive trajectories follow statistical laws and/or minimum energy pathways. This themed issue collects different aspects of the problem and gives an overview of recent works and developments in different contexts, from the gas phase to the condensed phase to excited states. This article is part of the themed issue ‘Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces’. PMID:28320909

  5. Metastable coupled-growth kinetics between primary and peritectic phases of undercooled hypoperitectic Fe54.5Ti45.5 alloy

    NASA Astrophysics Data System (ADS)

    Wu, Y. H.; Chang, J.; Wang, W. L.; Wei, B.

    2016-10-01

    The metastable coupled-growth kinetics between the primary Fe2Ti and peritectic FeTi phases of undercooled Fe54.5Ti45.5 alloy was systematically investigated by both electromagnetic levitation and drop tube techniques. Employing a high-speed camera, the rapid crystallization processes of levitated bulk alloy were recorded in the undercooling range of 34-187 K. In small undercooling regime below 143 K, peritectic solidification proceeded and the dependence of primary Fe2Ti dendritic growth velocity V on the bulk undercooling ΔT satisfied a power relation of V = 2.43 × 10-14 × ΔT7.72 (mm s-1). Once liquid undercooling increased beyond 143 K, the metastable coupled-growth was induced and the microstructure was characterized by the Fe2Ti rods embedded in FeTi phase. Furthermore, the coupled-growth velocity decreased linearly with the rise in undercooling according to V = 1.47 × 103-7.44ΔT (mm s-1). In drop tube experiment, peritectic solidification characteristics of small alloy droplets disappeared and the primary and peritectic phases directly nucleated from undercooled liquid and grew cooperatively to form spherical coupled-growth cells if droplet diameter decreased below 481 μm.

  6. Theory of Metastable State Relaxation in a Gravitational Field for Non-Critical Binary Systems with Non-Conserved Order Parameter

    NASA Technical Reports Server (NTRS)

    Izmailov, Alexander F.; Myerson, Allan S.

    1993-01-01

    A new mathematical ansatz is developed for solution of the time-dependent Ginzburg-Landau nonlinear partial differential equation describing metastable state relaxation in binary (solute+solvent) non-critical solutions with non-conserved scalar order parameter in presence of a gravitational field. It has been demonstrated analytically that in such systems metastability initiates heterogeneous solute redistribution which results in the formation of a non-equilibrium singly-periodic spatial solute structure in the new solute-rich phase. The critical radius of nucleation and the induction time in these systems are gravity-dependent. It has also been proved that metastable state relaxation in vertical columns of supersaturated non-critical binary solutions leads to formation of the solute concentration gradient. Analytical expression for this concentration gradient is found and analysed. It is concluded that gravity can initiate phase separation (nucleation or spinodal decomposition).

  7. The thermodynamic scale of inorganic crystalline metastability.

    PubMed

    Sun, Wenhao; Dacek, Stephen T; Ong, Shyue Ping; Hautier, Geoffroy; Jain, Anubhav; Richards, William D; Gamst, Anthony C; Persson, Kristin A; Ceder, Gerbrand

    2016-11-01

    The space of metastable materials offers promising new design opportunities for next-generation technological materials, such as complex oxides, semiconductors, pharmaceuticals, steels, and beyond. Although metastable phases are ubiquitous in both nature and technology, only a heuristic understanding of their underlying thermodynamics exists. We report a large-scale data-mining study of the Materials Project, a high-throughput database of density functional theory-calculated energetics of Inorganic Crystal Structure Database structures, to explicitly quantify the thermodynamic scale of metastability for 29,902 observed inorganic crystalline phases. We reveal the influence of chemistry and composition on the accessible thermodynamic range of crystalline metastability for polymorphic and phase-separating compounds, yielding new physical insights that can guide the design of novel metastable materials. We further assert that not all low-energy metastable compounds can necessarily be synthesized, and propose a principle of 'remnant metastability'-that observable metastable crystalline phases are generally remnants of thermodynamic conditions where they were once the lowest free-energy phase.

  8. Superconducting Metastable Compounds.

    PubMed

    Luo, H L; Merriam, M F; Hamilton, D C

    1964-08-07

    A number of metastable phases, germanides and tellurides of gold and silver, have been prepared, analyzed by x-ray diffraction, and investigated for superconductivity. The new superconductors and their transition temperatures are AgTe(3) (2.6 degrees K), Ag(4)Ge (0.85 degrees K), Au(3)Te(5) (1.62 degrees K), and Au(1-x)Ge(x) (0.99 degrees K-1.63 degrees K) where (0.27

  9. Trapping a Metastable Ferroelectric Phase by Size Reduction in Semiconducting Ferroelectric BiFeO3-PbTiO3 and Its Implications for Photocatalytic Response

    NASA Astrophysics Data System (ADS)

    Narayan, Bastola; Adhikari, Sangeeta; Madras, Giridhar; Ranjan, Rajeev

    2017-02-01

    We show that the large elastostatic and electrostatic energies associated with the supertetragonal spontaneous strain and polarization of a semiconducting ferroelectric (1 -x )BiFe O3-(x )PbTiO3 forces the ground state to switch to the rhombohedral (R ) ferroelectric phase on reduction of crystallite size. The continuity of the pinned tetragonal domain walls, however, prevents a direct tetragonal-to-rhombohedral transformation as the size is gradually reduced by physical means at room temperature. The trapped metastable tetragonal phase in the small crystallites is found to show significantly enhanced photocatalytic activity as compared to its stable tetragonal- or rhombohedral-phase counterparts. Our study suggests that the size effect in multidomain ferroelectrics can be exploited as an effective strategy for the manipulation of functional properties.

  10. Exploration of the phase diagram of liquid water in the low-temperature metastable region using synthetic fluid inclusions.

    PubMed

    Qiu, C; Krüger, Y; Wilke, M; Marti, D; Rička, J; Frenz, M

    2016-10-12

    We present new experimental data of the low-temperature metastable region of liquid water derived from high-density synthetic fluid inclusions (996-916 kg m(-3)) in quartz. Microthermometric measurements include: (i) prograde (upon heating) and retrograde (upon cooling) liquid-vapour homogenisation. We used single ultrashort laser pulses to stimulate vapour bubble nucleation in initially monophase liquid inclusions. Water densities were calculated based on prograde homogenisation temperatures using the IAPWS-95 formulation. We found retrograde liquid-vapour homogenisation temperatures in excellent agreement with IAPWS-95. (ii) Retrograde ice nucleation. Raman spectroscopy was used to determine the nucleation of ice in the absence of the vapour bubble. Our ice nucleation data in the doubly metastable region are inconsistent with the low-temperature trend of the spinodal predicted by IAPWS-95, as liquid water with a density of 921 kg m(-3) remains in a homogeneous state during cooling down to a temperature of -30.5 °C, where it is transformed into ice whose density corresponds to zero pressure. (iii) Ice melting. Ice melting temperatures of up to 6.8 °C were measured in the absence of the vapour bubble, i.e. in the negative pressure region. (iv) Spontaneous retrograde and, for the first time, prograde vapour bubble nucleation. Prograde bubble nucleation occurred upon heating at temperatures above ice melting. The occurrence of prograde and retrograde vapour bubble nucleation in the same inclusions indicates a maximum of the bubble nucleation curve in the ϱ-T plane at around 40 °C. The new experimental data represent valuable benchmarks to evaluate and further improve theoretical models describing the p-V-T properties of metastable water in the low-temperature region.

  11. The metastable HCl · 6H2O phase - IR spectroscopy, phase transitions and kinetic/thermodynamic properties in the range 170-205 K

    NASA Astrophysics Data System (ADS)

    Chiesa, S.; Rossi, M. J.

    2013-07-01

    In this laboratory study, 1 to 2 μm thick polycrystalline ice films have been grown under stirred flow reactor (SFR) conditions and subsequently doped with metered amounts of HCl under static conditions. A multidiagnostic approach including FTIR absorption spectroscopy in transmission, residual gas mass spectrometry (MS) and total pressure measurement was employed. Depending on the growth protocol controlling both temperature and partial pressure of HCl (PHCl), either amorphous HCl/H2O or crystalline HCl hexahydrate (HCl · 6H2O) have been obtained. After controlled doping with HCl and evaporation of excess H2O from the ice film, transmission FTIR of pure HCl · 6H2O films and use of calibrated residual gas MS enabled the measurement of differential (peak) IR cross sections at several mid-IR frequencies (σ = (6.5 ± 1.9) × 10-19 cm2 molec-1 at 1635 cm-1 as an example). Two types of kinetic experiments on pure HCl · 6H2O have been performed under SFR conditions: (a) evaporation of HCl · 6H2O under H2O-poor conditions over a narrow T range, and (b) observation of the phase transition from crystalline HCl · 6H2O to amorphous HCl/H2O under H2O-rich conditions at increasing T. The temperature dependence of the zero-order evaporation flux of HCl in pure HCl · 6H2O monitored at 3426 cm-1 led to log(Jev) molec cm-2s-1= (36.34 ± 3.20) - (80 810 ± 5800)/2.303RT with R=8.312 JK-1 mol-1. HCl · 6H2O has a significant intrinsic kinetic barrier to HCl evaporation of 15.1 kJ mol-1 in excess of the HCl sublimation enthalpy of 65.8 kJ mol-1 at 200 K but is kinetically unstable (metastable) at typical UT/LS conditions of HCl partial pressure (P(HCl)) and temperature. Water-rich HCl · 6H2O undergoes a facile phase transition from crystalline to the amorphous/ supercooled/disordered state easily observable at T≥ 195 K under both static and SFR conditions. This corresponds to low P(HCl) in the neighborhood of 10-7 Torr that also prevails at the Upper Troposphere

  12. The thermodynamic scale of inorganic crystalline metastability

    PubMed Central

    Sun, Wenhao; Dacek, Stephen T.; Ong, Shyue Ping; Hautier, Geoffroy; Jain, Anubhav; Richards, William D.; Gamst, Anthony C.; Persson, Kristin A.; Ceder, Gerbrand

    2016-01-01

    The space of metastable materials offers promising new design opportunities for next-generation technological materials, such as complex oxides, semiconductors, pharmaceuticals, steels, and beyond. Although metastable phases are ubiquitous in both nature and technology, only a heuristic understanding of their underlying thermodynamics exists. We report a large-scale data-mining study of the Materials Project, a high-throughput database of density functional theory–calculated energetics of Inorganic Crystal Structure Database structures, to explicitly quantify the thermodynamic scale of metastability for 29,902 observed inorganic crystalline phases. We reveal the influence of chemistry and composition on the accessible thermodynamic range of crystalline metastability for polymorphic and phase-separating compounds, yielding new physical insights that can guide the design of novel metastable materials. We further assert that not all low-energy metastable compounds can necessarily be synthesized, and propose a principle of ‘remnant metastability’—that observable metastable crystalline phases are generally remnants of thermodynamic conditions where they were once the lowest free-energy phase. PMID:28138514

  13. Formation of metastable cubic phase in Ce100-xAlx (x=45, 50) alloys and their thermal and magnetic properties

    NASA Astrophysics Data System (ADS)

    Idzikowski, Bogdan; Śniadecki, Zbigniew; Puźniak, Roman; Kaczorowski, Dariusz

    2017-01-01

    Ce100-xAlx (x=45 and 50) alloys were synthesized by rapid quenching technique in the form of ribbons composed of nanocrystalline phase of CeAl with the ClCs-type structure (Pm-3m space group) embedded in an amorphous matrix. The cubic CeAl phase is known as metastable with random distribution of Ce and Al atoms in the unit cell. The crystalline volume fraction is about 7.5% in Ce55Al45 and 3% in Ce50Al50. The alloy Ce55Al45 shows better thermal stability than Ce50Al50, indicated by higher effective activation energy and higher crystallization temperature. Small off-stoichiometry in Ce55Al45 results in degrading the glass forming ability and promotes formation of the cubic CeAl phase, as confirmed by magnetic measurements. In both alloys, the Ce ions are in stable trivalent state and order magnetically near 20 K. Another magnetic phase transition close to 10 K was found for Ce50Al50 and was attributed to the presence of the well-known stable orthorhombic CeAl phase. To the best of our knowledge, the magnetic behavior of the CeAl cubic phase is reported here for the first time.

  14. On the possibility to develop an advanced non-equilibrium model of depressurisation in two-phase fluids

    NASA Astrophysics Data System (ADS)

    Duc, Linh Do; Horák, Vladimír; Kulish, Vladimir; Lukáč, Tomáš

    2017-01-01

    Carbon dioxide is widely used as the power gas in the gas guns community due to its ease of handling, storability at room temperature, and high vapor pressure depending only upon temperature, but not a tank size, as long as some liquid carbon dioxide remains in the tank. This high vapor pressure can be used as the pressurant, making it what is referred to as a self-pressurising propellant. However, as a two-phase substance, carbon dioxide does have its drawbacks: (1) vaporization of liquefied CO2 inside a tank when shooting rapidly or a lot causes the tank to get cool, resulting in pressure fluctuations that makes the gun's performance and accuracy worse, (2) solid carbon dioxide that is also known as dry ice can appear on the output valve of the tank while shooting and it can cause damage or slow the gun's performance down, if it works its way into some control components, including the barrel of the gun. Hence, it is crucial to obtain a scientific understanding of carbon dioxide behavior and further the discharge characteristics of a wide range of pressure-tank configurations. For the purpose of satisfying this goal, a comprehensive discharge mathematical model for carbon dioxide tank dynamics is required. In this paper, the possibility to develop an advanced non-equilibrium model of depressurization in two-phase fluids is discussed.

  15. Signature of a continuous quantum phase transition in non-equilibrium energy absorption: Footprints of criticality on higher excited states

    PubMed Central

    Bhattacharyya, Sirshendu; Dasgupta, Subinay; Das, Arnab

    2015-01-01

    Understanding phase transitions in quantum matters constitutes a significant part of present day condensed matter physics. Quantum phase transitions concern ground state properties of many-body systems, and hence their signatures are expected to be pronounced in low-energy states. Here we report signature of a quantum critical point manifested in strongly out-of-equilibrium states with finite energy density with respect to the ground state and extensive (subsystem) entanglement entropy, generated by an external pulse. These non-equilibrium states are evidently completely disordered (e.g., paramagnetic in case of a magnetic ordering transition). The pulse is applied by switching a coupling of the Hamiltonian from an initial value (λI) to a final value (λF) for sufficiently long time and back again. The signature appears as non-analyticities (kinks) in the energy absorbed by the system from the pulse as a function of λF at critical-points (i.e., at values of λF corresponding to static critical-points of the system). As one excites higher and higher eigenstates of the final Hamiltonian H(λF) by increasing the pulse height , the non-analyticity grows stronger monotonically with it. This implies adding contributions from higher eigenstates help magnifying the non-analyticity, indicating strong imprint of the critical-point on them. Our findings are grounded on exact analytical results derived for Ising and XY chains in transverse field. PMID:26568306

  16. Signature of a continuous quantum phase transition in non-equilibrium energy absorption: Footprints of criticality on higher excited states.

    PubMed

    Bhattacharyya, Sirshendu; Dasgupta, Subinay; Das, Arnab

    2015-11-16

    Understanding phase transitions in quantum matters constitutes a significant part of present day condensed matter physics. Quantum phase transitions concern ground state properties of many-body systems, and hence their signatures are expected to be pronounced in low-energy states. Here we report signature of a quantum critical point manifested in strongly out-of-equilibrium states with finite energy density with respect to the ground state and extensive (subsystem) entanglement entropy, generated by an external pulse. These non-equilibrium states are evidently completely disordered (e.g., paramagnetic in case of a magnetic ordering transition). The pulse is applied by switching a coupling of the Hamiltonian from an initial value (λI) to a final value (λF) for sufficiently long time and back again. The signature appears as non-analyticities (kinks) in the energy absorbed by the system from the pulse as a function of λF at critical-points (i.e., at values of λF corresponding to static critical-points of the system). As one excites higher and higher eigenstates of the final Hamiltonian H(λF) by increasing the pulse height (|λF - λI|), the non-analyticity grows stronger monotonically with it. This implies adding contributions from higher eigenstates help magnifying the non-analyticity, indicating strong imprint of the critical-point on them. Our findings are grounded on exact analytical results derived for Ising and XY chains in transverse field.

  17. Non-equilibrium phase distribution in an Al-SiC composite

    NASA Technical Reports Server (NTRS)

    Nutt, S. R.; Carpenter, R. W.

    1985-01-01

    The phase distribution in an Al-SiC composite has been investigated using high resolution analytical electron microscopy. Particular attention was focused on Al-SiC interfaces, matrix boundaries and impurity phases which would impede the easy glide of dislocations. Small crystallites of MgO were distributed singly and in clusters along Al-SiC interfaces in all specimens. Interfacial segregation and precipitation involving alloy species apparently affected precipitation in the matrix, where the distribution of phases was found to be very heterogeneous. Matrix phases also included unusually large constituent particles and dispersoids, a consequence of the composite processing methods. The relationship between the observed microstructure and the composite mechanical behavior reported by others is discussed. The heterogeneous distribution of matrix phases is expected to result in a wide variaiton in local yield stress and local work-hardening rate within the composite.

  18. Formation and magnetic properties of metastable phases observed in the Fe50(HfxTa1-x)50 films by ion beam mixing

    NASA Astrophysics Data System (ADS)

    Li, Nan; Li, JiaHao; Liu, JianBo; Liu, BaiXin

    2014-01-01

    Metastable phase formation and magnetic properties of the Fe50(HfxTa1-x)50 (x = 0, 0.2, …, and 1) thin films induced by ion beam mixing are studied. The results show that unique amorphous phases could be formed in all the six multilayered films. Interestingly, preferred orientations and formation of BCC-Hf phase were observed in the Fe50Hf50 multilayered films at as-deposited state and after irradiated to doses less than 6 × 1014 Xe+/cm2. In addition, good soft magnetic properties were obtained in the formed amorphous phases. The Fe50Hf40Ta10 amorphous phase owns the maximum magnetization of 45 emu/g (i.e., 1.21 μB per Fe atom) at 5 K, with a saturate magnetization of 7.5 emu/g and a small coercivity Hc = 7 Oe at room temperature. The possible mechanisms responsible for the observations are discussed in terms of atomic collision theory and crystallography.

  19. Cosmological QCD phase transition in steady non-equilibrium dissipative Hořava–Lifshitz early universe

    SciTech Connect

    Khodadi, M. Sepangi, H.R.

    2014-07-15

    We study the phase transition from quark–gluon plasma to hadrons in the early universe in the context of non-equilibrium thermodynamics. According to the standard model of cosmology, a phase transition associated with chiral symmetry breaking after the electro-weak transition has occurred when the universe was about 1–10 μs old. We focus attention on such a phase transition in the presence of a viscous relativistic cosmological background fluid in the framework of non-detailed balance Hořava–Lifshitz cosmology within an effective model of QCD. We consider a flat Friedmann–Robertson–Walker universe filled with a non-causal and a causal bulk viscous cosmological fluid respectively and investigate the effects of the running coupling constants of Hořava–Lifshitz gravity, λ, on the evolution of the physical quantities relevant to a description of the early universe, namely, the temperature T, scale factor a, deceleration parameter q and dimensionless ratio of the bulk viscosity coefficient to entropy density (ξ)/s . We assume that the bulk viscosity cosmological background fluid obeys the evolution equation of the steady truncated (Eckart) and full version of the Israel–Stewart fluid, respectively. -- Highlights: •In this paper we have studied quark–hadron phase transition in the early universe in the context of the Hořava–Lifshitz model. •We use a flat FRW universe with the bulk viscosity cosmological background fluid obeying the evolution equation of the steady truncated (Eckart) and full version of the Israel–Stewart fluid, respectively.

  20. Open problems in non-equilibrium physics

    SciTech Connect

    Kusnezov, D.

    1997-09-22

    The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions.

  1. Prediction of stable C7 /12 and metastable C4 /7 commensurate solid phases for 4He on graphite

    NASA Astrophysics Data System (ADS)

    Ahn, Jeonghwan; Lee, Hoonkyung; Kwon, Yongkyung

    2016-02-01

    Using a substrate potential described by a pairwise sum of empirical 4He-C interatomic potentials, we have performed path-integral Monte Carlo calculations for 4He adatoms on graphite. It is found that a second-layer commensurate structure is not stable above an incommensurate first-layer triangular solid. This is consistent with the conclusion of the previous theoretical study of Corboz et al. [Phys. Rev. B 78, 245414 (2008), 10.1103/PhysRevB.78.245414] that was based on a laterally averaged one-dimensional potential. On the other hand, we observe a new stable C7 /12 commensurate solid in the first 4He layer at the areal density of 0.111 Å-2, which is close to the second-layer promotion density. This high-density commensurate solid exhibits a √{12 }×√{12 } structure registered to the graphite surface that is not disrupted by the development of the second 4He layer. Furthermore, a second-layer 4/7 commensurate structure relative to the first-layer C7 /12 solid is found to be at least metastable, opening the possibility of two-dimensional supersolidity.

  2. Li-ion storage dynamics in metastable nanostructured Li2FeSiO4 cathode: Antisite-induced phase transition and lattice oxygen participation

    NASA Astrophysics Data System (ADS)

    Lu, Xia; Chiu, Hsien-Chieh; Arthur, Zachary; Zhou, Jigang; Wang, Jian; Chen, Ning; Jiang, De-Tong; Zaghib, Karim; Demopoulos, George P.

    2016-10-01

    Li2FeSiO4 (LFS) has drawn much attention as cathode for high capacity Li-ion batteries. Even though significant volume of study has been devoted to its crystal chemistry and electrochemistry, many questions relating to its Li-ion storage dynamics remain yet to be fully elucidated. In this context, synchrotron-based X-ray diffraction and absorption spectroscopies are employed to characterize the phase stability and charge compensation mechanism in a metastable Li2FeSiO4 nanostructured cathode as a function of state-of-charge (Li2-xFeSiO4, x = 0, 0.25, 0.50, 0.75, 1.0) and cycling at very low current. The results demonstrate (i) no detectable phase transition from monoclinic to orthorhombic phase during the first charge-discharge cycle but rather formation of antisite defects that progressively induce phase transformation after several electrochemical cycles; (ii) characteristics of solid solution Li-ion storage (Li2-xFeSiO4, x = 0-1); and (iii) the charge compensation for the first Li extraction does not come solely from the ferrous to ferric conversion, but interestingly from prominent participation of lattice oxygen as well that appears to destabilize the cycled LFS structure with significant performance implications.

  3. Metastable solid metallic hydrogen

    SciTech Connect

    Nellis, W. J.

    1999-04-01

    Hydrogen reaches the mimimum electrical conductivity of a metal at 140 GPa (1.4 Mbar), 0.6 g/cm3 (ninefold compression of initial liquid-H2 density), and 3000 K in the fluid phase. The quest for metallic hydrogen over the past 100 years is reviewed briefly. Possible scientific and technological uses of metastable solid metallic hydrogen (MSMH) are speculated upon in the unlikely event that the metallic fluid can be quenched to MSMH at ambient pressure and temperature: a quantum, metallic solid with novel physical properties, including room-temperature superconductivity; a very light-weight structural material; a fuel, propellant, and explosive, depending on the rate of release of stored energy; a dense fuel for higher energy yields in inertial confinement fusion; and an aid in the synthesis of novel hard materials. Some of the formidable difficulties to synthesize MSMH are discussed.

  4. Long Range Correlations and Phase Transitions in Non-equilibrium Diffusive Systems

    NASA Astrophysics Data System (ADS)

    Bodineau, T.; Derrida, B.; Lecomte, V.; van Wijland, F.

    2008-12-01

    We obtain explicit expressions for the long range correlations in the ABC model and in diffusive models conditioned to produce an atypical current of particles. In both cases, the two-point correlation functions allow one to detect the occurrence of a phase transition as they become singular when the system approaches the transition.

  5. Metastable phases determination of U-2.5Zr-7.5Nb and U-3.0Zr-9.0Nb alloys by Rietveld method

    SciTech Connect

    Dias Pais, R. W.; Dos Santos, A. M. M.; Lameiras, F. S.; Cantagalli, N. M.; De Paula, R. G.; Ferraz, W. B.

    2012-07-01

    The Rietveld refinement has been employed for study of metastable phase of alloys U-2.5Zr-7.5Nb(wt%) and U-3Zr-9Nb(wt%). The ingots of both alloys were produced in vacuum induction furnace at temperature of about 1500 deg.C followed by cooling to room temperature. The samples with 2.5 cm in diameter and 0.3 cm of thickness was homogenized at 1000 deg.C/16 hours and treated isothermally at (i) 600 deg.C for 0.5, 3 and 24 hours and (ii) 300 deg.C for 4 minutes, 20 minutes and 17.5 hours. At the end of each treatment the samples were water quenched. Data from X-ray diffraction were collected at room temperature with a Rigaku diffractometer D Max-RAPID radiation Cuk{alpha} using steps of 0.02 deg. (2{theta}) with scan angle in the range of 20-80 deg. (2{theta}). The full diffraction pattern was analyzed by the Rietveld method using the GSAS program. The result shows that the non-resolved appearance of the XRD patterns added to the proximity of the Bragg reflections of the transition phase makes the refinement of alloys a challenging task. For the isothermal treatment at 600 deg.C during 0.5 and 3 hours both alloys showed the majority presence of {gamma}{sup S} phase fallow by {gamma}{sup 0} phase in minor amounts. For 24 hours at 600 deg.C occurred the decomposition of phases with the presence of {gamma}{sup S} + {alpha}. Isothermal treatment at 300 deg.C for both alloys is characterized by the presence of phases {gamma}{sup 0} + {alpha}'' where the concentration of the {alpha}'' phase increases with time of heat treatment. (authors)

  6. Phase separation of {beta}-Sn in strained, compositionally metastable Ge{sub 1{minus}x}Sn{sub x} alloys

    SciTech Connect

    Kriesel, J.W. |; Lee, S.M.

    1996-12-31

    A wide variety of scientific fields ranging from medicine to astronomy need sensitive, inexpensive far infrared (IR) photodetectors. Using rf sputtering and post-deposition annealing in a differential scanning calorimeter (DSC), the authors manufactured bulk (4,000 nm) films of crystalline Ge{sub 0.83}Sn{sub 0.17}. This Sn concentration is much greater than the solid solubility limit of Sn in Ge (x {le} 0.01). Continued annealing thermally induces Sn phase separation from the alloy, limiting the ultimate attainable grain size in the metastable crystals. The authors examine, here, the mechanisms and kinetics of the processes limiting the size of the Ge{sub 0.83}Sn{sub 0.17} polycrystals. From a combination of DSC, electron microprobe, and x-ray diffraction (XRD) measurements, they propose phase transformation mechanisms corresponding to crystallization of amorphous Ge{sub 0.83}Sn{sub 0.17}, crystallization of an as-yet unidentified phase of Sn, and phase separation of Sn from the Ge{sub 1{minus}x}Sn{sub x} crystals. They were unable to observe the unidentified phase of Sn in XRD, but the phase must be present in the material to account for the quantitative discrepancies (as much as 8 at.%) in Sn percentages determined from each of the DSC, XRD, and electron microprobe measurements. The models for the various transformation kinetics were corroborated by the subsequent phase-separated Sn melting behavior observed in the DSC: two Sn melting endotherms, one of which was 20--100 C lower than the bulk melting temperature of Sn. This depressed temperature endotherm they speculate represents liquefaction of nanometer-sized {beta}-Sn clusters.

  7. Non-equilibrium Simulation of CO­2-hydrate Phase Transitions from Mixtures of CO2 and N2 Gases

    NASA Astrophysics Data System (ADS)

    Qorbani Nashaqi, K.

    2015-12-01

    Storage of CO2 in aquifers is one of several options for reducing the emissions of CO2 to the atmosphere. Generally this option requires sealing integrity through layers of clay or shale. Many reservoirs have regions of temperature and pressure inside hydrate formation conditions. Whether hydrate formation can provide long term extra sealing still remains unverified in view of all co-existing phases that affect hydrate stability. Yet another storage option for CO2 is in the form of hydrate through exchange of in situ CH4 hydrate. Injection of CO2 into hydrate filled sediments is challenging due to the partial filling of pores with hydrate which results in low porosity and low permeability. Formation of new hydrate from injected CO2 will enhance these problems, Mixing N2 gas with the CO2 will increase permeability and will reduce driving forces for formation of new hydrate from pore water and injection gas. Hydrate can generally not reach thermodynamic equilibrium due to Gibbs' phase rule and the combined first and second laws of thermodynamics. These thermodynamic constraints on distribution of masses over co-existing phases are dynamically coupled to local mass- and heat-transport. Reservoir simulations are one possible method for investigation of possible scenarios related to injection of CO2 with N2 into aquifers containing CH4 hydrate. In this work we have developed prevoiusly modified RetrasoCodeBrite (RCB) simulator to handle injection of CO2/N2 gas mixtures. Hydrate formation and dissociation were determined by investigating Gibbs free energy differences between hydrate and hydrate formers. Gibbs free energy differences were calculated from changes in chemical potentials, which were obtained using non-equilibrium thermodynamic approach. Further extension of RCB has been implemented in this work through adding on-the-fly thermodynamic calculations. Correspondingly, hydrate phase transitions are calculated directly inside the code as a result of super

  8. Theory of Metastable State Relaxation for Non-Critical Binary Systems with Non-Conserved Order Parameter

    NASA Technical Reports Server (NTRS)

    Izmailov, Alexander; Myerson, Allan S.

    1993-01-01

    A new mathematical ansatz for a solution of the time-dependent Ginzburg-Landau non-linear partial differential equation is developed for non-critical systems such as non-critical binary solutions (solute + solvent) described by the non-conserved scalar order parameter. It is demonstrated that in such systems metastability initiates heterogeneous solute redistribution which results in formation of the non-equilibrium singly-periodic spatial solute structure. It is found how the time-dependent period of this structure evolves in time. In addition, the critical radius r(sub c) for solute embryo of the new solute rich phase together with the metastable state lifetime t(sub c) are determined analytically and analyzed.

  9. Causality and non-equilibrium second-order phase transitions in inhomogeneous systems.

    PubMed

    del Campo, A; Kibble, T W B; Zurek, W H

    2013-10-09

    When a second-order phase transition is crossed at a finite rate, the evolution of the system stops being adiabatic as a result of the critical slowing down in the neighborhood of the critical point. In systems with a topologically nontrivial vacuum manifold, disparate local choices of the ground state lead to the formation of topological defects. The universality class of the transition imprints a signature on the resulting density of topological defects: it obeys a power law in the quench rate, with an exponent dictated by a combination of the critical exponents of the transition. In inhomogeneous systems the situation is more complicated, as the spontaneous symmetry breaking competes with bias caused by the influence of the nearby regions that already chose the new vacuum. As a result, the choice of the broken symmetry vacuum may be inherited from the neighboring regions that have already entered the new phase. This competition between the inherited and spontaneous symmetry breaking enhances the role of causality, as the defect formation is restricted to a fraction of the system where the front velocity surpasses the relevant sound velocity and phase transition remains effectively homogeneous. As a consequence, the overall number of topological defects can be substantially suppressed. When the fraction of the system is small, the resulting total number of defects is still given by a power law related to the universality class of the transition, but exhibits a more pronounced dependence on the quench rate. This enhanced dependence complicates the analysis but may also facilitate experimental testing of defect formation theories.

  10. Nonequilibrium processes.

    PubMed

    Polanyi, J C

    1971-08-01

    Nonequilibrium phenomena have been studied for over half a century, particularly as a means to understanding the mechanism of energy transfer. Application of the insights and techniques of molecular physics to chemistry has resulted in a view of chemistry as constituting an aspect of the study of strong collisions, and chemical reaction as a special type of energy transfer. Increasing use has been made in experimental work of nonequilibrium environments for the study of chemical processes. The nature and purpose of such experiments are reviewed here, very briefly, and an attempt is made to point to areas that appear ripe for development over the coming decade.

  11. Complexity, Metastability and Nonextensivity

    NASA Astrophysics Data System (ADS)

    Beck, C.; Benedek, G.; Rapisarda, A.; Tsallis, C.

    Work and heat fluctuations in systems with deterministic and stochastic forces / E. G. D. Cohen and R. Van Zon -- Is the entropy S[symbol] extensive or nonextensive? / C. Tsallis -- Superstatistics: recent developments and applications / C. Beck -- Two stories outside Boltzmann-Gibbs statistics: Mori's Q-phase transitions and glassy dynamics at the onset of chaos / A. Robledo, F. Baldovin and E. Mayoral -- Time-averages and the heat theorem / A. Carati -- Fundamental formulae and numerical evidences for the central limit theorem in Tsallis statistics / H. Suyari -- Generalizing the Planck distribution / A. M. C. Soma and C. Tsallis -- The physical roots of complexity: renewal or modulation? / P. Grigolini -- Nonequivalent ensembles and metastability / H. Touchette and R. S. Ellis -- Statistical physics for cosmic structures / L. Pietronero and F. Sylos Labini -- Metastability and anomalous behavior in the HMF model: connections to nonextensive thermodynamics and glassy dynamics / A. Pluchino, A. Rapisarda and V. Latora -- Vlasov analysis of relaxation and meta-equilibrium / C. Anteneodo and R. O. Vallejos -- Weak chaos in large conservative systems - infinite-range coupled standard maps / L. G. Moyano, A. P. Majtey and C. Tsallis -- Deterministc aging / E. Barkai -- Edge of chaos of the classical kicked top map: sensitivity to initial conditions / S. M. Duarte Queirós and C. Tsallis -- What entropy at the edge of chaos? / M. Lissia, M. Coraddu and R. Tonelli -- Fractal growth of carbon schwarzites / G. Benedek ... [et al.] -- Clustering and interface propagation in interacting particle dynamics / A. Provata and V. K. Noussiou -- Resonant activation and noise enhanced stability in Josephson junctions / A. L. Pankratov and B. Spagnolo -- Symmetry breaking induced directed motions / C.-H. Chang and T. Y. Tsong -- General theory of Galilean-invariant entropic lattic Boltzmann models / B. M. Boghosian -- Unifying approach to the jamming transition in granular media and

  12. (Global and local) fluctuations of phase space contraction in deterministic stationary nonequilibrium.

    PubMed

    Bonetto, F.; Chernov, N. I.; Lebowitz, J. L.

    1998-12-01

    We studied numerically the validity of the fluctuation relation introduced in Evans et al. [Phys. Rev. Lett. 71, 2401-2404 (1993)] and proved under suitable conditions by Gallavotti and Cohen [J. Stat. Phys. 80, 931-970 (1995)] for a two-dimensional system of particles maintained in a steady shear flow by Maxwell demon boundary conditions [Chernov and Lebowitz, J. Stat. Phys. 86, 953-990 (1997)]. The theorem was found to hold if one considers the total phase space contraction sigma occurring at collisions with both walls: sigma=sigma( upward arrow )+sigma( downward arrow ). An attempt to extend it to more local quantities sigma( upward arrow ) and sigma( downward arrow ), corresponding to the collisions with the top or bottom wall only, gave negative results. The time decay of the correlations in sigma( upward arrow, downward arrow ) was very slow compared to that of sigma. (c) 1998 American Institute of Physics.

  13. Nonequilibrium Physics and Phase-Field Modeling of Multiphase Flow in Porous Media

    SciTech Connect

    Juanes, Ruben

    2016-09-01

    The overarching goal of this project was to develop a new continuum theory of multiphase flow in porous media. The theory follows a phase-field modeling approach, and therefore has a sound thermodynamical basis. It is a phenomenological theory in the sense that its formulation is driven by macroscopic phenomena, such as viscous instabilities during multifluid displacement. The research agenda was organized around a set of hypothesis on hitherto unexplained behavior of multiphase flow. All these hypothesis are nontrivial, and testable. Indeed, a central aspect of the project was testing each hypothesis by means of carefully-designed laboratory experiments, therefore probing the validity of the proposed theory. The proposed research places an emphasis on the fundamentals of flow physics, but is motivated by important energy-driven applications in earth sciences, as well as microfluidic technology.

  14. BiNb{sub 3}O{sub 9}, a metastable perovskite phase with Bi/vacancy ordering: Crystal structure and dielectric properties

    SciTech Connect

    Mumme, William G.; Grey, Ian E.; Edwards, Bryce; Turner, Christopher; Nino, Juan; Vanderah, Terrell A.

    2013-04-15

    The perovskite, BiNb{sub 3}O{sub 9}, is a metastable phase in the Bi{sub 2}O{sub 3}:Nb{sub 2}O{sub 5} system that forms only when cooled from a liquid phase. Crystals of BiNb{sub 3}O{sub 9} prepared in this way display pseudocubic 2a×2a×2a diffraction patterns, due to non-merohedral twinning of a tetragonal a×a×2a cell, with the doubled axis oriented along all three pseudocubic axes. The structure was refined using data collected on a twinned crystal to R{sub 1}=0.034 for 318 observed reflections. BiNb{sub 3}O{sub 9} has tetragonal symmetry, P4/mmm with a=3.9459(3) Å, c=7.8919(6) Å. Partial ordering of Bi atoms and vacancies occurs, with alternate (0 0 1) planes having 28% and 42% Bi occupancies. The Bi atoms are displaced from the A-site special positions by up to 0.4 Å. The compound exhibits a relatively high permittivity value of ∼230 at room temperature, and shows a sharp increase with increasing temperature towards an apparent diffuse phase transition above ∼180 °C, with an associated frequency dependent peak in the dielectric loss. - Graphical abstract: Structure for BiNb{sub 3}O{sub 9}, showing split Bi atoms. Highlights: ► First characterisation of a new perovskite phase with potentially useful dielectric properties. ► Solving of the structure using single crystal data on a multiply twinned crystal. ► Measurement of dielectric properties that show the phase has a high dielectric permittivity.

  15. Hydrothermal synthesis and characterization of a two-dimensional piperazinium cobalt–zinc phosphate via a metastable one-dimensional phase

    SciTech Connect

    Torre-Fernández, Laura; Khainakova, Olena A.; Espina, Aránzazu; Amghouz, Zakariae; Khainakov, Sergei A.; Alfonso, Belén F.; Blanco, Jesús A.; García, José R.; García-Granda, Santiago

    2015-05-15

    A two-dimensional piperazinium cobalt–zinc phosphate, formulated as (C{sub 4}N{sub 2}H{sub 12}){sub 1.5}(Co{sub 0.6}Zn{sub 0.4}){sub 2}(HPO{sub 4}){sub 2}(PO{sub 4})·H{sub 2}O (2D), was synthesized under hydrothermal conditions. The crystal structure was determined using single-crystal X-ray diffraction data (monoclinic P2{sub 1}/c, a=8.1165(3) Å, b=26.2301(10) Å, c=8.3595(4) Å, and β=110.930(5)°) and the hydrogen atom positions were optimized by DFT calculations. A single-crystal corresponding to one-dimensional metastable phase, (C{sub 4}N{sub 2}H{sub 12})Co{sub 0.3}Zn{sub 0.7}(HPO{sub 4}){sub 2}·H{sub 2}O (1D), was also isolated and the crystal structure was determined (monoclinic P2{sub 1}/c, a=8.9120(6) Å, b=14.0290(1) Å, c=12.2494(5) Å, and β=130.884(6)°). The bulk was characterized by chemical (C–H–N) analysis, powder X-ray diffraction (PXRD), powder X-ray thermodiffractometry (HT-XRD), transmission electron microscopy (STEM(DF)-EDX and EFTEM), and thermal analysis (TG/SDTA-MS), including activation energy data of its thermal decomposition. The magnetic susceptibility and magnetization measurements show no magnetic ordering down to 4 K. - Graphical abstract: Hydrothermal synthesis and structural characterization of a two-dimensional piperazinium cobalt–zinc phosphate, (C{sub 4}N{sub 2}H{sub 12}){sub 1.5}(Co{sub 0.6}Zn{sub 0.4}){sub 2}(HPO{sub 4}){sub 2}(PO{sub 4})·H{sub 2}O (2D), have been reported. The crystal structure of a one-dimensional piperazinium cobalt–zinc phosphate, (C{sub 4}N{sub 2}H{sub 12})Co{sub 0.3}Zn{sub 0.7}(HPO{sub 4}){sub 2}·H{sub 2}O (1D) a metastable phase during the hydrothermal synthesis, was also determined. The thermal behavior of 2D compound is strongly dependent on the selected heating rate and the magnetic susceptibility and magnetization measurements show no magnetic ordering down to 4 K. - Highlights: • A 2D piperazinium cobalt–zinc phosphate has been synthesized and characterized. • Crystal

  16. Equilibrium and non-equilibrium dynamics of the dilute lamellar phase

    NASA Astrophysics Data System (ADS)

    Ramaswamy, Sriram

    1992-07-01

    A model for the dynamics of the sterically stabilized dilute lamellar phase is constructed and studied. The model consists of a stack of flexible fluid sheets, with excluded volume, separated by macroscopic layers of solvent. The dynamics of small fluctuations of the sheets about their mean positions is found to have two distinct short-wavelength regimes in which the frequency ω depends on the wavenumber q in an unusual manner. One is a single-membrane Zimm mode, ω ≈ - iq3, while the other is a “red-blood-cell mode”, ω ≈ - iq6. These modes give rise to fluctuation corrections for the viscosities of the system, going as ω {-1}/{3} and ω {-2}/{3}, respectively. In addition, it is shown that a sufficiently rapid shear flow with velocity and gradient in the plane of the layers causes a transition into a state where regions of reduced layer spacing co-exist with regions devoid of any layer material. The critical shear-rate for this transition should go as (layer spacing) -3. Possible experimental tests of these predictions are discussed.

  17. Nonequilibrium effective field theory for absorbing state phase transitions in driven open quantum spin systems

    NASA Astrophysics Data System (ADS)

    Buchhold, Michael; Everest, Benjamin; Marcuzzi, Matteo; Lesanovsky, Igor; Diehl, Sebastian

    2017-01-01

    Phase transitions to absorbing states are among the simplest examples of critical phenomena out of equilibrium. The characteristic feature of these models is the presence of a fluctuationless configuration which the dynamics cannot leave, which has proved a rather stringent requirement in experiments. Recently, a proposal to seek such transitions in highly tunable systems of cold-atomic gases offers to probe this physics and, at the same time, to investigate the robustness of these transitions to quantum coherent effects. Here, we specifically focus on the interplay between classical and quantum fluctuations in a simple driven open quantum model which, in the classical limit, reproduces a contact process, which is known to undergo a continuous transition in the "directed percolation" universality class. We derive an effective long-wavelength field theory for the present class of open spin systems and show that, due to quantum fluctuations, the nature of the transition changes from second to first order, passing through a bicritical point which appears to belong instead to the "tricritical directed percolation" class.

  18. Metastability and Delta-Phase Retention in Plutonium Alloys Final Report of LDRD Project 01-ERD-029

    SciTech Connect

    Wong, J; Schwartz, A J; Blobaum, K M; Krenn, C R; Wall, M A; Wolfer, W G; Haslam, J J; Moore, K T

    2004-02-11

    The {delta} to {alpha}' phase transformation in Pu-Ga alloys is intriguing for both scientific and technological reasons. On cooling, the ductile fcc {delta}-phase transforms martensitically to the brittle monoclinic {alpha}'-phase at approximately -120 C (depending on composition). This exothermic transformation involves a 20% volume contraction and a significant increase in resistivity. The reversion of {alpha}' to {delta} involves a large temperature hysteresis beginning just above room temperature. In an attempt to better understand the underlying thermodynamics and kinetics responsible for these unusual features, we have investigated the {delta} {leftrightarrow} {alpha}' phase transformations in a Pu-0.6 wt% Ga alloy using a combination of experimental and modeling techniques.

  19. Dependence of stress-induced omega transition and mechanical twinning on phase stability in metastable β Ti–V alloys

    SciTech Connect

    Wang, X.L.; Li, L.; Mei, W.; Wang, W.L.; Sun, J.

    2015-09-15

    Tensile properties and deformation microstructures of a series of binary β Ti–16–22V alloys have been investigated. The results show that the plastic deformation mode changes from the plate-like stress-induced ω phase transformation with a special habit plane of (− 5052){sub ω}//(3 − 3 − 2){sub β} to (332)<113> type deformation twinning with increasing the content of vanadium in the β Ti–16–22 wt.% V alloys. The plate-like stress-induced ω phase has a special orientation relationship with the β phase matrix, i.e., [110]{sub β}//[− 12 − 10]{sub ω}, (3 − 3 − 2){sub β}//(− 5052){sub ω} and (− 55 − 4){sub β}//(30 − 31){sub ω}. The alloys plastically deformed by stress-induced ω phase transformation exhibit relatively higher yield strength than those deformed via (332)<113> type deformation twinning. It can be concluded that the stability of β phase plays a significant role in plastic deformation mode, i.e., stress-induced ω phase transformation or (332)<113> type deformation twinning, which governs the mechanical property of the β Ti–16–22 wt.% V alloys. - Highlights: • Tensile properties and deformed microstructures of β Ti–16–22V alloys were studied. • Stress-induced ω phase transformation and (332)<113> twinning occur in the alloys. • Stability of β phase plays a significant role in plastic deformation mode. • Plastic deformation mode governs the mechanical property of the alloys.

  20. Totally solution-processed CuInS2 solar cells based on chloride inks: reduced metastable phases and improved current density

    NASA Astrophysics Data System (ADS)

    Dehghani, Mehdi; Behjat, Abbas; Tajabadi, Fariba; Taghavinia, Nima

    2015-03-01

    Planar superstrate CuInS2 (CIS) solar cell devices are fabricated using totally solution-processed deposition methods. These Cd-free devices are structured by FTO/TiO2/In2S3/CIS/carbon, where TiO2 and In2S3 are deposited by spray pyrolysis, and a CIS film is deposited using spin-coating followed by annealing at 250 °C. The pasted carbon layer is utilized as the anode. No further sulfurization or selenization is employed. The Cu/In ratio in the ink is found as a critical factor affecting the morphology and crystallinity of the film as well as the photovoltaic performance of the device. An optimum Cu/In = 1.05 results in large-grain films with sharp diffraction peaks and, subsequently, optimal series resistance and shunt conductance. It is also found that the chloride-based ink results in CIS films with considerably reduced metastable phases, compared to the conventional acetate-based inks. A current density of 23.6 mA cm-2 is obtained for the best devices, leading to a conversion efficiency of 4.1%.

  1. Metastable γ-Bi2O3 tetrahedra: Phase-transition dominated by polyethylene glycol, photoluminescence and implications for internal structure by etch.

    PubMed

    Wang, Yi; Li, Yunling

    2015-09-15

    Metastable γ-Bi2O3 tetrahedra have been fabricated by a facile polyethylene glycol-assistance (PEG, Mw=400) one-step precipitation method at 70°C. The tetrahedra of 8μm are built up of ultrathin nanosheets via layer-by-layer self-assembly. X-ray powder diffraction, scanning electron microscopy, UV-visible spectrometer and fluorescence spectrophotometer were employed to characterize the obtained γ-Bi2O3. The morphology of the γ-Bi2O3 is significantly influenced by the feeding concentration of NaOH solution. Tetrahedra and incomplete tetrahedra whose edges are clipped in various degrees of γ-Bi2O3 can be obtained with different concentrations of NaOH solution. The uniform and ordered chains of PEG play a crucial role not only in the morphology, even more important in phase-transition of Bi2O3. The photoluminescence (PL) characteristic of the sample was investigated.

  2. Hydrothermal synthesis and characterization of a two-dimensional piperazinium cobalt-zinc phosphate via a metastable one-dimensional phase

    NASA Astrophysics Data System (ADS)

    Torre-Fernández, Laura; Khainakova, Olena A.; Espina, Aránzazu; Amghouz, Zakariae; Khainakov, Sergei A.; Alfonso, Belén F.; Blanco, Jesús A.; García, José R.; García-Granda, Santiago

    2015-05-01

    A two-dimensional piperazinium cobalt-zinc phosphate, formulated as (C4N2H12)1.5(Co0.6Zn0.4)2(HPO4)2(PO4)·H2O (2D), was synthesized under hydrothermal conditions. The crystal structure was determined using single-crystal X-ray diffraction data (monoclinic P21/c, a=8.1165(3) Å, b=26.2301(10) Å, c=8.3595(4) Å, and β=110.930(5)°) and the hydrogen atom positions were optimized by DFT calculations. A single-crystal corresponding to one-dimensional metastable phase, (C4N2H12)Co0.3Zn0.7(HPO4)2·H2O (1D), was also isolated and the crystal structure was determined (monoclinic P21/c, a=8.9120(6) Å, b=14.0290(1) Å, c=12.2494(5) Å, and β=130.884(6)°). The bulk was characterized by chemical (C-H-N) analysis, powder X-ray diffraction (PXRD), powder X-ray thermodiffractometry (HT-XRD), transmission electron microscopy (STEM(DF)-EDX and EFTEM), and thermal analysis (TG/SDTA-MS), including activation energy data of its thermal decomposition. The magnetic susceptibility and magnetization measurements show no magnetic ordering down to 4 K.

  3. Metastability of a Supercompressed Fluid Monolayer

    PubMed Central

    Smith, Ethan C.; Crane, Jonathan M.; Laderas, Ted G.; Hall, Stephen B.

    2003-01-01

    Previous studies showed that monomolecular films of extracted calf surfactant collapse at the equilibrium spreading pressure during quasi-static compressions but become metastable at much higher surface pressures when compressed faster than a threshold rate. To determine the mechanism by which the films become metastable, we studied single-component films of 1-palmitoyl-2-oleoyl phosphatidylcholine (POPC). Initial experiments confirmed similar metastability of POPC if compressed above a threshold rate. Measurements at different surface pressures then showed that rates of collapse, although initially increasing above the equilibrium spreading pressure, reached a sharply defined maximum and then slowed considerably. When heated, rapidly compressed films recovered their ability to collapse with no discontinuous change in area, arguing that the metastability does not reflect transition of the POPC film to a new phase. These observations indicate that in several respects, the supercompression of POPC monolayers resembles the supercooling of three-dimensional liquids toward a glass transition. PMID:14581205

  4. Structural properties and relative stability of (meta)stable ordered, partially ordered, and disordered Al-Li alloy phases

    NASA Astrophysics Data System (ADS)

    Alam, Aftab; Johnson, D. D.

    2012-04-01

    We resolve issues that have plagued reliable prediction of relative phase stability for solid solutions and compounds. Due to its commercially important phase diagram, we showcase the Al-Li system because historically density-functional theory (DFT) results show large scatter and limited success in predicting the structural properties and stability of solid solutions relative to ordered compounds. Using recent advances in an optimal basis-set representation of the topology of electronic charge density (and, hence, atomic size), we present DFT results that agree reasonably well with all known experimental data for the structural properties and formation energies of ordered, off-stoichiometric partially ordered, and disordered alloys, opening the way for reliable study in complex alloys.

  5. Direct evidence of concurrent solid-solution and two-phase reactions and the nonequilibrium structural evolution of LiFePO4.

    PubMed

    Sharma, Neeraj; Guo, Xianwei; Du, Guodong; Guo, Zaiping; Wang, Jiazhou; Wang, Zhaoxiang; Peterson, Vanessa K

    2012-05-09

    Lithium-ion batteries power many portable devices and in the future are likely to play a significant role in sustainable-energy systems for transportation and the electrical grid. LiFePO(4) is a candidate cathode material for second-generation lithium-ion batteries, bringing a high rate capability to this technology. LiFePO(4) functions as a cathode where delithiation occurs via either a solid-solution or a two-phase mechanism, the pathway taken being influenced by sample preparation and electrochemical conditions. The details of the delithiation pathway and the relationship between the two-phase and solid-solution reactions remain controversial. Here we report, using real-time in situ neutron powder diffraction, the simultaneous occurrence of solid-solution and two-phase reactions after deep discharge in nonequilibrium conditions. This work is an example of the experimental investigation of nonequilibrium states in a commercially available LiFePO(4) cathode and reveals the concurrent occurrence of and transition between the solid-solution and two-phase reactions.

  6. Rare earth ferrites LuFe2O4±x polymorphism, polytypism and metastable phases

    NASA Astrophysics Data System (ADS)

    Hervieu, M.; Damay, F.; Maignan, A.; Martin, C.

    2015-10-01

    This work is a compendium of the structural properties of layered LnFe2O4±x ferrites, focussed on recently discovered polymorphs and their transitions through five complex commensurate and incommensurate modulated structures. These phases are obtained varying the oxygen content (reversibly from O4.0 to O4.5) or applying high pressure (up to 15 GPa). The relationships between the different structures are discussed and models are proposed. These ferrites, which contain magnetic cations and exhibit remarkable 3D flexibility, open the road for magnetic, electric, catalytic or energy materials.

  7. Formation, structure and magnetism of the metastable defect fluorite phases AVO{sub 3.5+x} (A=In, Sc)

    SciTech Connect

    Shafi, Shahid P.; Lundgren, Rylan J.; Cranswick, Lachlan M.D.; Bieringer, Mario

    2007-12-15

    We report the preparation and stability of ScVO{sub 3.5+x} and the novel phase InVO{sub 3.5+x}. AVO{sub 3.5+x} (A=Sc, In) defect fluorite structures are formed as metastable intermediates during the topotactic oxidation of AVO{sub 3} bixbyites. The oxidation pathway has been studied in detail by means of thermogravimetric/differential thermal analysis and in-situ powder X-ray diffraction. The oxidation of the bixbyite phase follows a topotactic pathway at temperatures between 300 and 400 deg. C in air/carbon dioxide. The range of accessible oxygen stoichiometries for the AVO{sub 3.5+x} structures following this pathway are 0.00{<=}x{<=}0.22. Rietveld refinements against powder X-ray and neutron data revealed that InVO{sub 3.54} and ScVO{sub 3.70} crystallize in the defect fluorite structure in space group Fm-3 m (227) with a=4.9863(5) and 4.9697(3)A, respectively with A{sup 3+}/V{sup 4+} disorder on the (4a) cation site. Powder neutron diffraction experiments indicate clustering of oxide defects in all samples. Bulk magnetic measurements showed the presence of V{sup 4+} and the absence of magnetic ordering at low temperatures. Powder neutron diffraction experiments confirmed the absence of a long range ordered magnetic ground state. - Graphical abstract: Topotactic oxidation of AVO{sub 3} bixbyite to AVO{sub 3.5} defect fluorite structure followed by in-situ powder X-ray diffraction. The upper structural diagram shows a six coordinated (A/V)-O{sub 6} fragment in bixbyite, the lower structure illustrates the same seven-fold coordinated (A/V)-O{sub 7} cubic environment in the defect fluorite structure.

  8. The Metastable Brain

    PubMed Central

    Tognoli, Emmanuelle; Kelso, J. A. Scott

    2014-01-01

    Neural ensembles oscillate across a broad range of frequencies and are transiently coupled or “bound” together when people attend to a stimulus, perceive, think and act. This is a dynamic, self-assembling process, with parts of the brain engaging and disengaging in time. But how is it done? The theory of Coordination Dynamics proposes a mechanism called metastability, a subtle blend of integration and segregation. Tendencies for brain regions to express their individual autonomy and specialized functions (segregation, modularity) coexist with tendencies to couple and coordinate globally for multiple functions (integration). Although metastability has garnered increasing attention, it has yet to be demonstrated and treated within a fully spatiotemporal perspective. Here, we illustrate metastability in continuous neural and behavioral recordings, and we discuss theory and experiments at multiple scales suggesting that metastable dynamics underlie the real-time coordination necessary for the brain's dynamic cognitive, behavioral and social functions. PMID:24411730

  9. Incompatible Sets of Gradients and Metastability

    NASA Astrophysics Data System (ADS)

    Ball, J. M.; James, R. D.

    2015-12-01

    We give a mathematical analysis of a concept of metastability induced by incompatibility. The physical setting is a single parent phase, just about to undergo transformation to a product phase of lower energy density. Under certain conditions of incompatibility of the energy wells of this energy density, we show that the parent phase is metastable in a strong sense, namely it is a local minimizer of the free energy in an L 1 neighbourhood of its deformation. The reason behind this result is that, due to the incompatibility of the energy wells, a small nucleus of the product phase is necessarily accompanied by a stressed transition layer whose energetic cost exceeds the energy lowering capacity of the nucleus. We define and characterize incompatible sets of matrices, in terms of which the transition layer estimate at the heart of the proof of metastability is expressed. Finally we discuss connections with experiments and place this concept of metastability in the wider context of recent theoretical and experimental research on metastability and hysteresis.

  10. A statics-dynamics equivalence through the fluctuation-dissipation ratio provides a window into the spin-glass phase from nonequilibrium measurements.

    PubMed

    Baity-Jesi, Marco; Calore, Enrico; Cruz, Andres; Fernandez, Luis Antonio; Gil-Narvión, José Miguel; Gordillo-Guerrero, Antonio; Iñiguez, David; Maiorano, Andrea; Marinari, Enzo; Martin-Mayor, Victor; Monforte-Garcia, Jorge; Muñoz Sudupe, Antonio; Navarro, Denis; Parisi, Giorgio; Perez-Gaviro, Sergio; Ricci-Tersenghi, Federico; Ruiz-Lorenzo, Juan Jesus; Schifano, Sebastiano Fabio; Seoane, Beatriz; Tarancón, Alfonso; Tripiccione, Raffaele; Yllanes, David

    2017-02-21

    We have performed a very accurate computation of the nonequilibrium fluctuation-dissipation ratio for the 3D Edwards-Anderson Ising spin glass, by means of large-scale simulations on the special-purpose computers Janus and Janus II. This ratio (computed for finite times on very large, effectively infinite, systems) is compared with the equilibrium probability distribution of the spin overlap for finite sizes. Our main result is a quantitative statics-dynamics dictionary, which could allow the experimental exploration of important features of the spin-glass phase without requiring uncontrollable extrapolations to infinite times or system sizes.

  11. Polarization of metastable 129Xe

    NASA Astrophysics Data System (ADS)

    Xia, Tian; Morgan, Steven; Jau, Yuan-Yu; Happer, William

    2008-05-01

    We have measured atomic polarization of metastable 129Xe in a pyrex cell by optical pumping, while metastability exchange optical pumping of 3He is routinely done. The atomic polarization of metastable Xe is on the order of 10%. Metastable xenon is created by electrodeless rf discharge. The hyperfine transition of metastable 129Xe is observed by microwave excitation. Atomic polarization can be demonstrated by comparison of the intensities of the transitions between different Zeeman sublevels, while pumping a specific optical transition of metastable Xe with circularly polarized light. This work offers insight into attempts to polarize 129Xe nuclei by metastability exchange optical pumping.

  12. Metastable Eutectic Equilibrium in Natural Environments: Recent Development and Research Opportunities

    NASA Technical Reports Server (NTRS)

    Rietmeijer, Frans J. M.; Nuth, Joseph A., III; Jablonska, Mariola; Karner, James M.

    2000-01-01

    Chemical ordering at metastable eutectics was recognized in non-equilibrium gas-to- solid condensation experiments to constrain 'silicate' dust formation in O-rich circumstellar environments. The predictable metastable eutectic behavior successfully predicted the observed ferromagnesiosilica compositions of circumstellar dust presolar and solar nebula grains in the matrix of the collected aggregate IDPs (Interplanetary Dust Particles). Many of the experimentally determined metastable eutectic solids match the fundamental building blocks of common rock-forming layer silicates: this could have implications for the origin of Life. The physical conditions conducive to metastable eutectic behavior, i.e. high temperature and (ultra) fast quenching, lead to unique amorphous, typically nano- to micrometer-sized, materials. The new paradigm of metastable eutectic behavior opens the door to new and exciting research opportunities in uncovering the many implications of these unique amorphous, and typically nano-to micrometer-sized, metastable eutectic materials.

  13. Metastable Eutectic Equilibrium in Natural Environments: Recent Developments and Research Opportunities

    NASA Technical Reports Server (NTRS)

    Rietmeijer, Fans J. M.; Nuth, Joseph A., II; Jablonska, Mariola; Karner, James M.

    2000-01-01

    Chemical ordering at metastable eutectics was recognized in non-equilibrium gas-to- solid condensation experiments to constrain 'silicate' dust formation in O-rich circumstellar environments. The predictable metastable eutectic behavior successfully predicted the observed ferromagnesiosilica, compositions of circumstellar dust, presolar and solar nebula grains in the matrix of the collected aggregate IDPs. Many of the experimentally determined metastable eutectic solids match the fundamental building blocks of common rock-forming layer silicates: this could have implications for the origin of Life. The physical conditions conducive to metastable eutectic behavior, i.e. high temperature and (ultra)fast quenching, lead to unique amorphous, typically nano- to micrometer-sized, materials. The new paradigm of metastable eutectic behavior opens the door to new and exciting research opportunities in uncovering the many implications of these unique amorphous and typically nano- to micrometer-sized, metastable eutectic materials.

  14. Suppression of Twinning and Phase Transformation in an Ultrafine Grained 2 GPa Strong Metastable Austenitic Steel: Experiment and Simulation

    SciTech Connect

    Shen, Yongfeng; Jia, Nan; Wang, Y. D.; Sun, Xin; Zuo, Liang; Raabe, Dierk

    2015-07-17

    An ultrafine-grained 304 austenitic 18 wt.%Cr-8 wt.%Ni stainless steel with a grain size of ~270 nm was synthesized by accumulative rolling (67 % total reduction) and annealing (550 °C, 150s). Uniaxial tensile testing at room temperature reveals an extremely high yield strength of 1890 ± 50MPa and a tensile strength of 2050 ± 30MPa, while the elongation reaches 6 ± 1%. Experimental characterization on samples with different grain sizes between 270 nm and 35 μm indicates that both, deformation twinning and martensitic phase transformation are significantly retarded with increasing grain refinement. A crystal plasticity finite element model incorporating a constitutive law reflecting the grain size-controlled dislocation slip and deformation twinning captures the micromechanical behavior of the steels with different grain sizes. Comparison of simulation and experiment shows that the deformation of ultrafine-grained 304 steels is dominated by the slip of partial dislocations, whereas for coarse-grained steels dislocation slip, twinning and martensite formation jointly contribute to the shape change.

  15. Metastable crystalline and amorphous structures formed in the Cu-W system by vapor deposition

    NASA Astrophysics Data System (ADS)

    Rizzo, H. F.; Massalski, T. B.; Nastasi, M.

    1993-05-01

    The possibility of producing nonequilibrium amorphous and crystalline phases in the Cu-W system is of interest because, under equilibrium conditions, no mutual solubility is expected between Cu and W. Triode sputtered coatings (45 to 150 μm thick, produced at deposition rates between 20 and 150 Å/s) consisted of amorphous and metastable crystalline phases. The latter remained decomposition-resistant on heating to various temperatures between 340 °C and 600 °C (the maximum temperature of exposure). The amorphous phase in such coatings crystallized on heating into a metastable body-centered cubic (bcc) phase, and the crystallization temperature T x was found to decrease across the phase diagram from 450 °C to 340 °C as the percentage of W increased from 26 to 60 at. pct. Samples containing amorphous phase regions, when subjected to heating between 150 °C and 250 °C, showed an unusual rapid precipitation of Cu at the sample surface, indicating an easy diffusion of the Cu component. This occurred without crystallization of the remaining slightly tungsten-enriched amorphous matrix. Microhardness measurements in sputtered two-phase amorphous and bcc regions have shown that in alloys of the same composition, the amorphous phase was always softer than the bcc solid solution phase. X-ray, microprobe, and optical evidence suggests that the amorphous films deposited at very low temperatures (i.e., at liquid N2) may subsequently undergo a phase separation upon heating to room temperature and prior to crystallization. Earlier work and present studies of vapordeposited alloys in this system confirm that the observed phases and microstructures can be related to free energy trends estimated from thermodynamic considerations and to specific deposition parameters, such as the substrate temperature and the deposition rates, which influence the kinetics.

  16. Non-equilibrium origin of high electrical conductivity in gallium zinc oxide thin films

    SciTech Connect

    Zakutayev, Andriy Ginley, David S.; Lany, Stephan; Perry, Nicola H.; Mason, Thomas O.

    2013-12-02

    Non-equilibrium state defines physical properties of materials in many technologies, including architectural, metallic, and semiconducting amorphous glasses. In contrast, crystalline electronic and energy materials, such as transparent conductive oxides (TCO), are conventionally thought to be in equilibrium. Here, we demonstrate that high electrical conductivity of crystalline Ga-doped ZnO TCO thin films occurs by virtue of metastable state of their defects. These results imply that such defect metastability may be important in other functional oxides. This finding emphasizes the need to understand and control non-equilibrium states of materials, in particular, their metastable defects, for the design of novel functional materials.

  17. Metastability at the nanometer scale

    SciTech Connect

    Desre, P.J.

    1996-12-31

    Under constraints and at the nanometer scale, transitory metastable states can be generated in multicomponents materials. Examples illustrating such specific states are presented. They concern (1) the crystalline nucleation in a growing undercooled liquid droplet formed from a liquid parent phase; (2) the suppression of intermetallic nucleation in solid solutions or glasses subjected to sharp concentration gradients; (3) the nanocrystalline transitory state preceding amorphization by ball milling. In connection with this latter example, a thermodynamic model for the nanocrystal to glass transition, based on a hypothesis of a topological disorder wetting at the nanograin boundaries, is proposed.

  18. Critical nonequilibrium relaxation in the Swendsen-Wang algorithm in the Berezinsky-Kosterlitz-Thouless and weak first-order phase transitions

    NASA Astrophysics Data System (ADS)

    Nonomura, Yoshihiko; Tomita, Yusuke

    2015-12-01

    Recently we showed that the critical nonequilibrium relaxation in the Swendsen-Wang algorithm is widely described by the stretched-exponential relaxation of physical quantities in the Ising or Heisenberg models. Here we make a similar analysis in the Berezinsky-Kosterlitz-Thouless phase transition in the two-dimensional (2D) X Y model and in the first-order phase transition in the 2D q =5 Potts model and find that these phase transitions are described by the simple exponential relaxation and power-law relaxation of physical quantities, respectively. We compare the relaxation behaviors of these phase transitions with those of the second-order phase transition in the three- and four-dimensional X Y models and in the 2D q -state Potts models for 2 ≤q ≤4 and show that the species of phase transitions can be clearly characterized by the present analysis. We also compare the size dependence of relaxation behaviors of the first-order phase transition in the 2D q =5 and 6 Potts models and propose a quantitative criterion on "weakness" of the first-order phase transition.

  19. Reflection of processes of non-equilibrium two-phase filtration in oil-saturated hierarchical medium in data of active wave geophysical monitoring

    NASA Astrophysics Data System (ADS)

    Hachay, Olga; Khachay, Andrey; Khachay, Oleg

    2016-04-01

    The processes of oil extraction from deposit are linked with the movement of multi-phase multi-component media, which are characterized by non-equilibrium and non-linear rheological features. The real behavior of layered systems is defined by the complexity of the rheology of moving fluids and the morphology structure of the porous medium, and also by the great variety of interactions between the fluid and the porous medium [Hasanov and Bulgakova, 2003]. It is necessary to take into account these features in order to informatively describe the filtration processes due to the non-linearity, non-equilibrium and heterogeneity that are features of real systems. In this way, new synergetic events can be revealed (namely, a loss of stability when oscillations occur, and the formation of ordered structures). This allows us to suggest new methods for the control and management of complicated natural systems that are constructed on account of these phenomena. Thus the layered system, from which it is necessary to extract the oil, is a complicated dynamical hierarchical system. A comparison is provided of non-equilibrium effects of the influence of independent hydrodynamic and electromagnetic induction on an oil layer and the medium which it surrounds. It is known that by drainage and steeping the hysteresis effect on curves of the relative phase permeability in dependence on the porous medium's water saturation in some cycles of influence (drainage-steep-drainage) is observed. Using the earlier developed 3D method of induction electromagnetic frequency geometric monitoring, we showed the possibility of defining the physical and structural features of a hierarchical oil layer structure and estimating the water saturation from crack inclusions. This effect allows managing the process of drainage and steeping the oil out of the layer by water displacement. An algorithm was constructed for 2D modeling of sound diffraction on a porous fluid-saturated intrusion of a hierarchical

  20. Dynamic consolidation of metastable nanocrystalline powders

    SciTech Connect

    Korth, G.E.; Williamson, R.L.

    1995-10-01

    Nanocrystalline metal powders synthesized by mechanical alloying in a ball mill resulted in micron-sized powder particles with a nanosized (5 to 25 nm) substructure. Conventional consolidation methods resulted in considerable coarsening of the metastable nanometer crystallites, but dynamic consolidation of these powders using explosive techniques produced fully dense monoliths while retaining the 5- to 25-nm substructure. Numerical modeling used to guide the experimental phase, revealed that the compression wave necessary for suitable consolidation was of order of 10 GPa for a few tenths of a microsecond. The consolidation process is described, and the retention of the metastable nanostructure is illustrated.

  1. Metastable structure of Li13Si4

    NASA Astrophysics Data System (ADS)

    Gruber, Thomas; Bahmann, Silvia; Kortus, Jens

    2016-04-01

    The Li13Si4 phase is one out of several crystalline lithium silicide phases, which is a potential electrode material for lithium ion batteries and contains a high theoretical specific capacity. By means of ab initio methods like density functional theory (DFT) many properties such as heat capacity or heat of formation can be calculated. These properties are based on the calculation of phonon frequencies, which contain information about the thermodynamical stability. The current unit cell of "Li13Si4" given in the ICSD database is unstable with respect to DFT calculations. We propose a modified unit cell that is stable in the calculations. The evolutionary algorithm EVO found a structure very similar to the ICSD one with both of them containing metastable lithium positions. Molecular dynamic simulations show a phase transition between both structures where these metastable lithium atoms move. This phase transition is achieved by a very fast one-dimensional lithium diffusion and stabilizes this phase.

  2. Anisotropy of the thermal conductivity in a crystalline polymer: Reverse nonequilibrium molecular dynamics simulation of the δ phase of syndiotactic polystyrene

    NASA Astrophysics Data System (ADS)

    Rossinsky, Eddie; Müller-Plathe, Florian

    2009-04-01

    The thermal conductivity of the crystalline δ phase of syndiotactic polystyrene has been investigated by reverse nonequilibrium molecular dynamics simulations. The results are in the expected range. An anisotropy is found for the thermal conductivity, with the component in chain direction being 2.5-3 larger than perpendicular to it. Any increase in the density causes an increase also in the thermal conductivity, particularly in the perpendicular directions. As side results, the simulations confirm an earlier finding on the force field dependence of the thermal conductivity: The thermal conductivity has a tendency to decrease when the number of active degrees of freedom in the system is reduced by the introduction of constraints. This dependence is, however, weaker and more erratic than previously found for molecular liquids and amorphous polymers.

  3. Reversible transition between coherently strained BiFeO3 and the metastable pseudotetragonal phase on (LaAlO3)0.3(Sr2AlTaO6)0.7 (001)

    NASA Astrophysics Data System (ADS)

    Fu, Z.; Yin, Z. G.; Zhang, X. W.; Chen, N. F.; Zhao, Y. J.; Bai, Y. M.; Zhao, D. Y.; Zhang, H. F.; Yuan, Y. D.; Chen, Y. N.; Wu, J. L.; You, J. B.

    2017-02-01

    Coherently strained BiFeO3 epitaxial films deposited on (001)-oriented (LaAlO3)0.3(Sr2AlTaO6)0.7 have a tetragonal crystal form, a stress-distorted version of the rhombohedral phase. A conversion from coherent BiFeO3 to a new, tilted pseudotetragonal phase with the c/a ratio exceeding 1.2 is observed beyond the critical thickness of 60 nm. X-ray reciprocal space maps display that this highly elongated metastable structure is monoclinically distorted by ˜0.2° and exhibits an out-of-plane tilt of ˜3°. These observations are at odds with traditional understandings that a coherent epilayer should turn into its parent structure upon increasing the thickness, providing a new insight into the strain relaxation mechanism of epitaxial films. We show that in the heating and cooling cycles, the transition between these two phases is completely reversible and is associated with the alleviation of thermal stress. Our results reveal that the coherent BiFeO3 epilayer with tetragonal symmetry stabilized by moderate compressive strain behaves as a structural bridge that links the thermally stable rhombohedral phase and the metastable tetragonal-like phase with a giant axial ratio. Moreover, the finding of a BiFeO3 phase mixture in our study extends the threshold in-plane strain of the stress-driven morphotropic phase boundary to a value as low as -2.3%.

  4. Metastable nematic hedgehogs

    NASA Astrophysics Data System (ADS)

    Rosso, Riccardo; Virga, Epifanio G.

    1996-07-01

    For nematic liquid crystals, we study the local stability of a radial hedgehog against biaxial perturbations. Our analysis employs the Landau - de Gennes functional to describe the free energy stored in a ball, whose radius is a parameter of the model. We find that a radial hedgehog may be either unstable or metastable, depending on the values of the elastic constants. For unstable hedgehogs, we give an explicit expression for the radius of the ball within which the instability manifests itself: it can be interpreted as the size of the biaxial core of the defect; it is of the same order of magnitude as the radius of the disclination ring predicted by Penzenstadler and Trebin's model. The metastable hedgehogs predicted by our model are the major novelty of the paper. They tell us that we may also expect truly uniaxial point defects, whose core contains no biaxial structure.

  5. Metastable dark energy

    NASA Astrophysics Data System (ADS)

    Landim, Ricardo G.; Abdalla, Elcio

    2017-01-01

    We build a model of metastable dark energy, in which the observed vacuum energy is the value of the scalar potential at the false vacuum. The scalar potential is given by a sum of even self-interactions up to order six. The deviation from the Minkowski vacuum is due to a term suppressed by the Planck scale. The decay time of the metastable vacuum can easily accommodate a mean life time compatible with the age of the universe. The metastable dark energy is also embedded into a model with SU(2)R symmetry. The dark energy doublet and the dark matter doublet naturally interact with each other. A three-body decay of the dark energy particle into (cold and warm) dark matter can be as long as large fraction of the age of the universe, if the mediator is massive enough, the lower bound being at intermediate energy level some orders below the grand unification scale. Such a decay shows a different form of interaction between dark matter and dark energy, and the model opens a new window to investigate the dark sector from the point-of-view of particle physics.

  6. Metastable isomers - A new class of interstellar molecules

    NASA Technical Reports Server (NTRS)

    Green, S.; Herbst, E.

    1979-01-01

    The abundances of a variety of metastable isomers of small organic molecules, analogous to HNC/HCN, in dense interstellar clouds are considered. These metastable species, some of which are thought to exist as intermediates in laboratory organic chemical reactions, are of considerable interest to chemists. Current ideas of gas-phase, ion-molecule chemistry are utilized to demonstrate that such metastable species should often be present in dense clouds in sufficient abundance to be observed. Unfortunately, the spectral constants of metastable isomers have rarely been determined in the laboratory, and quantum chemical calculations of a varying degree of accuracy must be utilized; results are included of some new quantum chemical calculations. The interstellar chemistry and expected microwave spectra of a representative sample of possibly important interstellar metastable isomers are discussed.

  7. Metastable metallic hydrogen glass

    SciTech Connect

    Nellis, W J

    2001-02-06

    The quest for metallic hydrogen has been going on for over one hundred years. Before hydrogen was first condensed into a liquid in 1898, it was commonly thought that condensed hydrogen would be a metal, like the monatomic alkali metals below hydrogen in the first column of the Periodic Table. Instead, condensed hydrogen turned out to be transparent, like the diatomic insulating halogens in the seventh column of the Periodic Table. Wigner and Huntington predicted in 1935 that solid hydrogen at 0 K would undergo a first-order phase transition from a diatomic to a monatomic crystallographically ordered solid at {approx}25 GPa. This first-order transition would be accompanied by an insulator-metal transition. Though searched for extensively, a first-order transition from an ordered diatomic insulator to a monatomic metal is yet to be observed at pressures up to 120 and 340 GPa using x-ray diffraction and visual inspection, respectively. On the other hand, hydrogen reaches the minimum electrical conductivity of a metal at 140 GPa, 0.6 g/cm{sup 3}, and 3000 K. These conditions were achieved using a shock wave reverberating between two stiff sapphire anvils. The shock wave was generated with a two-stage light-gas gun. This temperature exceeds the calculated melting temperature at 140 GPa by a factor of {approx}2, indicating that this metal is in the disordered fluid phase. The disorder permits hydrogen to become metallic via a Mott transition in the liquid at a much smaller pressure than in the solid, which has an electronic bandgap to the highest pressures reached to date. Thus, by using the finite temperature achieved with shock compression to achieve a disordered melt, metallic hydrogen can be achieved at a much lower pressure in a fluid than in a solid. It is not known how, nor even whether, metallic hydrogen can be quenched from a fluid at high pressures to a disordered solid metallic glass at ambient pressure and temperature. Because metallization occurs by simply

  8. A time-asymptotic one equation non-equilibrium model for reactive transport in a two phase porous medium

    NASA Astrophysics Data System (ADS)

    Yohan, D.; Gerald, D.; Magali, G.; Michel, Q.

    2008-12-01

    The general problem of transport and reaction in multiphase porous media has been a subject of extensive studies during the last decades. For example, biologically mediated porous media have seen a long history of research from the environmental engineering point of view. Biofilms (aggregate of microorganisms coated in a polymer matrix generated by bacteria) have been particularly examined within the context of bioremediation in the subsurface zone. Five types of models may be used to describe these kinds of physical system: 1) one-equation local mass equilibrium models when the assumption of local mass equilibrium is valid 2) two equations models when the assumption of local mass equilibrium is not valid 3) one equation non-equilibrium models 4) mixed models coupling equations solved at two different scales 5) one equation time-asymptotic models. In this presentation, we use the method of volume averaging with closure to extend the time- asymptotic model at the Darcy scale to the reactive case. Closure problems are solved for simple unit cells, and the macro-scale model is validated against pore-scale simulations.

  9. Preparation and topotactical oxidation of ScVO3 with bixbyte structure: a low-temperature route to stabilize the new defect fluorite ScVO(3.5) metastable phase.

    PubMed

    Alonso, José Antonio; Casais, María Teresa; Martínez-Lope, María Jesús

    2004-05-07

    ScVO3 has been prepared by controlled reduction of a ScVO4 precursor under an H2/N2 flow at 1250 degrees C. The crystal structure of this material has been studied at room temperature by Rietveld refinement of high-resolution neutron powder diffraction (NPD) data. Sc3+ and V3+ are distributed at random over the metal sites of a C-M2O3 bixbyite-type structure, space group Ia3, a = 9.6182(1) Angstroms. The thermal analysis of ScVO3 in an air flow shows two subsequent oxidation processes, with a final reversal to ScVO4 above 600 degrees C. An intermediate phase of composition ScVO(3.5), containing V4+ cations, can be isolated by isothermal annealing at 350 degrees C in air. This metastable phase has been identified by X-ray diffraction (XRD) as a fluorite-type oxide (space group Fm3m, a = 4.947(2) Angstroms), also showing a random distribution of Sc and V cations over the metal positions. The Rietveld refinement of the ScVO(3.5) structure from powder XRD data in a fluorite structural model yields abnormally high thermal factors for the oxygen atoms, suggesting oxygen mobility in this metastable material.

  10. Landau superfluids as nonequilibrium stationary states

    SciTech Connect

    Wreszinski, Walter F.

    2015-01-15

    We define a superfluid state to be a nonequilibrium stationary state (NESS), which, at zero temperature, satisfies certain metastability conditions, which physically express that there should be a sufficiently small energy-momentum transfer between the particles of the fluid and the surroundings (e.g., pipe). It is shown that two models, the Girardeau model and the Huang-Yang-Luttinger (HYL) model, describe superfluids in this sense and, moreover, that, in the case of the HYL model, the metastability condition is directly related to Nozières’ conjecture that, due to the repulsive interaction, the condensate does not suffer fragmentation into two (or more) parts, thereby assuring its quantum coherence. The models are rigorous examples of NESS in which the system is not finite, but rather a many-body system.

  11. Magnetic BiMn-α phase synthesis prediction: First-principles calculation, thermodynamic modeling and nonequilibrium chemical partitioning

    SciTech Connect

    Zhou, S. H.; Liu, C.; Yao, Y. X.; Du, Y.; Zhang, L. J.; Wang, C. -Z.; Ho, K. -M.; Kramer, M. J.

    2016-04-29

    BiMn-α is promising permanent magnet. Due to its peritectic formation feature, there is a synthetic challenge to produce single BiMn-α phase. The objective of this study is to assess driving force for crystalline phase pathways under far-from-equilibrium conditions. First-principles calculations with Hubbard U correction are performed to provide a robust description of the thermodynamic behavior. The energetics associated with various degrees of the chemical partitioning are quantified to predict temperature, magnetic field, and time dependence of the phase selection. By assessing the phase transformation under the influence of the chemical partitioning, temperatures, and cooling rate from our calculations, we suggest that it is possible to synthesize the magnetic BiMn-α compound in a congruent manner by rapid solidification. The external magnetic field enhances the stability of the BiMn-α phase. In conclusion, the compositions of the initial compounds from these highly driven liquids can be far from equilibrium.

  12. A general unified non-equilibrium model for predicting saturated and subcooled critical two-phase flow rates through short and long tubes

    SciTech Connect

    Fraser, D.W.H.; Abdelmessih, A.H.

    1995-09-01

    A general unified model is developed to predict one-component critical two-phase pipe flow. Modelling of the two-phase flow is accomplished by describing the evolution of the flow between the location of flashing inception and the exit (critical) plane. The model approximates the nonequilibrium phase change process via thermodynamic equilibrium paths. Included are the relative effects of varying the location of flashing inception, pipe geometry, fluid properties and length to diameter ratio. The model predicts that a range of critical mass fluxes exist and is bound by a maximum and minimum value for a given thermodynamic state. This range is more pronounced at lower subcooled stagnation states and can be attributed to the variation in the location of flashing inception. The model is based on the results of an experimental study of the critical two-phase flow of saturated and subcooled water through long tubes. In that study, the location of flashing inception was accurately controlled and adjusted through the use of a new device. The data obtained revealed that for fixed stagnation conditions, the maximum critical mass flux occurred with flashing inception located near the pipe exit; while minimum critical mass fluxes occurred with the flashing front located further upstream. Available data since 1970 for both short and long tubes over a wide range of conditions are compared with the model predictions. This includes test section L/D ratios from 25 to 300 and covers a temperature and pressure range of 110 to 280{degrees}C and 0.16 to 6.9 MPa. respectively. The predicted maximum and minimum critical mass fluxes show an excellent agreement with the range observed in the experimental data.

  13. Nonequilibrium solidification in undercooled Ti{sub 45}Al{sub 55} melts

    SciTech Connect

    Hartmann, H.; Galenko, P. K.; Holland-Moritz, D.; Kolbe, M.; Herlach, D. M.; Shuleshova, O.

    2008-04-01

    Ti-Al alloys are of high technological interest as light-weight high-performance materials. When produced by solidification from the liquid state, the material properties of as-solidified materials are strongly dependent on the conditions governing the solidification process. Nonequilibrium solidification from the state of an undercooled liquid may result to the formation of metastable solid materials. On the one hand undercooling under special cases may influence the phase selection behavior during solidification, and on the other hand during rapid growth of solid phases in undercooled melts nonequilibrium effects such as solute trapping and disorder trapping may occur. In the present work containerless processing by electromagnetic levitation is used to undercool Ti{sub 45}Al{sub 55} melts deeply below the liquidus temperature. The dendrite growth velocity during the solidification is measured as a function of undercooling by application of a high-speed video camera. In situ diffraction experiments at ESRF in Grenoble and microstructure investigations are performed in order to identify the primary solidified phases. The experimental findings are interpreted within current theoretical models for dendritic growth and solute trapping.

  14. Blume-Capel ferromagnet driven by propagating and standing magnetic field wave: Dynamical modes and nonequilibrium phase transition

    NASA Astrophysics Data System (ADS)

    Acharyya, Muktish; Halder, Ajay

    2017-03-01

    The dynamical responses of Blume-Capel (S=1) ferromagnet to the plane propagating (with fixed frequency and wavelength) and standing magnetic field waves are studied separately in two dimensions by extensive Monte Carlo simulation. Depending on the values of temperature, amplitude of the propagating magnetic field and the strength of anisotropy, two different dynamical phases are observed. For a fixed value of anisotropy and the amplitude of the propagating magnetic field, the system undergoes a dynamical phase transition from a driven spin wave propagating phase to a pinned or spin frozen state as the system is cooled down. The time averaged magnetisation over a full cycle of the propagating magnetic field plays the role of the dynamic order parameter. A comprehensive phase diagram is plotted in the plane formed by the amplitude of the propagating wave and the temperature of the system. It is found that the phase boundary shrinks inward as the anisotropy increases. The phase boundary, in the plane described by the strength of the anisotropy and temperature, is also drawn. This phase boundary was observed to shrink inward as the field amplitude increases.

  15. Digital Synchronizer without Metastability

    NASA Technical Reports Server (NTRS)

    Simle, Robert M.; Cavazos, Jose A.

    2009-01-01

    A proposed design for a digital synchronizing circuit would eliminate metastability that plagues flip-flop circuits in digital input/output interfaces. This metastability is associated with sampling, by use of flip-flops, of an external signal that is asynchronous with a clock signal that drives the flip-flops: it is a temporary flip-flop failure that can occur when a rising or falling edge of an asynchronous signal occurs during the setup and/or hold time of a flip-flop. The proposed design calls for (1) use of a clock frequency greater than the frequency of the asynchronous signal, (2) use of flip-flop asynchronous preset or clear signals for the asynchronous input, (3) use of a clock asynchronous recovery delay with pulse width discriminator, and (4) tying the data inputs to constant logic levels to obtain (5) two half-rate synchronous partial signals - one for the falling and one for the rising edge. Inasmuch as the flip-flop data inputs would be permanently tied to constant logic levels, setup and hold times would not be violated. The half-rate partial signals would be recombined to construct a signal that would replicate the original asynchronous signal at its original rate but would be synchronous with the clock signal.

  16. Energetic Metastable Oxygen and Nitrogen Atoms in the Terrestrial Atmosphere

    NASA Technical Reports Server (NTRS)

    Kharchenko, Vasili; Dalgarno, A.

    2005-01-01

    This report summarizes our research performed under NASA Grant NAG5-11857. The three-year grant have been supported by the Geospace Sciences SR&T program. We have investigated the energetic metastable oxygen and nitrogen atoms in the terrestrial stratosphere, mesosphere and thermosphere. Hot atoms in the atmosphere are produced by solar radiation, the solar wind and various ionic reactions. Nascent hot atoms arise in ground and excited electronic states, and their translational energies are larger by two - three orders of magnitude than the thermal energies of the ambient gas. The relaxation kinetics of hot atoms determines the rate of atmospheric heating, the intensities of aeronomic reactions, and the rate of atom escape from the planet. Modeling of the non-Maxwellian energy distributions of metastable oxygen and nitrogen atoms have been focused on the determination of their impact on the energetics and chemistry of the terrestrial atmosphere between 25 and 250 km . At this altitudes, we have calculated the energy distribution functions of metastable O and N atoms and computed non-equilibrium rates of important aeronomic reactions, such as destruction of the water molecules by O(1D) atoms and production of highly excited nitric oxide molecules. In the upper atmosphere, the metastable O(lD) and N(2D) play important role in formation of the upward atomic fluxes. We have computed the upward fluxes of the metastable and ground state oxygen atoms in the upper atmosphere above 250 km. The accurate distributions of the metastable atoms have been evaluated for the day and night-time conditions.

  17. Desensitization of metastable intermolecular composites

    SciTech Connect

    Busse, James R.; Dye, Robert C.; Foley, Timothy J.; Higa, Kelvin T.; Jorgensen, Betty S.; Sanders, Victor E.; Son, Steven F.

    2011-04-26

    A method to substantially desensitize a metastable intermolecular composite material to electrostatic discharge and friction comprising mixing the composite material with an organic diluent and removing enough organic diluent from the mixture to form a mixture with a substantially putty-like consistency, as well as a concomitant method of recovering the metastable intermolecular composite material.

  18. Magnetic BiMn-α phase synthesis prediction: First-principles calculation, thermodynamic modeling and nonequilibrium chemical partitioning

    DOE PAGES

    Zhou, S. H.; Liu, C.; Yao, Y. X.; ...

    2016-04-29

    BiMn-α is promising permanent magnet. Due to its peritectic formation feature, there is a synthetic challenge to produce single BiMn-α phase. The objective of this study is to assess driving force for crystalline phase pathways under far-from-equilibrium conditions. First-principles calculations with Hubbard U correction are performed to provide a robust description of the thermodynamic behavior. The energetics associated with various degrees of the chemical partitioning are quantified to predict temperature, magnetic field, and time dependence of the phase selection. By assessing the phase transformation under the influence of the chemical partitioning, temperatures, and cooling rate from our calculations, we suggestmore » that it is possible to synthesize the magnetic BiMn-α compound in a congruent manner by rapid solidification. The external magnetic field enhances the stability of the BiMn-α phase. In conclusion, the compositions of the initial compounds from these highly driven liquids can be far from equilibrium.« less

  19. A direct liquid, non-equilibrium solid-phase micro-extraction application for analysing chemical variation of single peltate trichomes on leaves of Salvia officinalis.

    PubMed

    Grassi, Paolo; Novak, Johannes; Steinlesberger, Heidi; Franz, Chlodwig

    2004-01-01

    A non-equilibrium solid phase micro-extraction application was tested for the rapid extraction of essential oil from single oil glands of sage and the oil components compared with those determined by solvent extract and distillation. Oil glands were directly ruptured with a polydimethylsiloxane-coated fused silica fibre and the essential oil was sorbed. Three insertion levels of an individual plant of Salvia officinalis involving an immature apical young leaf, an expanding and a fully developed leaf, respectively, were used to determine the applicability of this method. Thirty-eight components in the oil could be identified by GC-MS. The method only showed small semi-quantitative differences compared with conventional methods. Chemical variation of single oil glands within the immature and premature leaf was higher than within the homogeneous mature leaf. The intermediary, still-expanding leaf was used to carry out a detailed study of the glands. The basal region of the intermediary leaf contained compounds in high conformity with the young leaf trichomes. The remaining oil glands of this leaf showed inconsistent accumulation patterns.

  20. Radiation-sustained nanocluster metastability in oxide dispersion strengthened materials

    NASA Astrophysics Data System (ADS)

    Ribis, J.; Bordas, E.; Trocellier, P.; Serruys, Y.; de Carlan, Y.; Legris, A.

    2015-12-01

    ODS materials constitute a new promising class of structural materials for advanced fission and fusion energy application. These Fe-Cr based ferritic steels contain ultra-high density of dispersion-strengthening nanoclusters conferring excellent mechanical properties to the alloy. Hence, guarantee the nanocluster stability under irradiation remain a critical issue. Nanoclusters are non-equilibrium multicomponent compounds (YTiCrO) forming through a complex nucleation pathway during the elaboration process. In this paper, it is proposed to observe the response of these nanoclusters when the system is placed far from equilibrium by means of ion beam. The results indicate that the Y, Ti, O and Cr atoms self-organized so that nanoclusters coarsened but maintain their non-equilibrium chemical composition. It is discussed that the radiation-sustained nanocluster metastability emerges from cooperative effects: radiation-induced Ostwald ripening, permanent creation of vacancies in the clusters, and fast Cr diffusion mediated by interstitials.

  1. Superstructure in the Metastable Intermediate-Phase Li2/3 FePO4 Accelerating the Lithium Battery Cathode Reaction.

    PubMed

    Nishimura, Shin-ichi; Natsui, Ryuichi; Yamada, Atsuo

    2015-07-27

    LiFePO4 is an important cathode material for lithium-ion batteries. Regardless of the biphasic reaction between the insulating end members, Lix FePO4 , x≈0 and x≈1, optimization of the nanostructured architecture has substantially improved the power density of positive LiFePO4 electrode. The charge transport that occurs in the interphase region across the biphasic boundary is the primary stage of solid-state electrochemical reactions in which the Li concentrations and the valence state of Fe deviate significantly from the equilibrium end members. Complex interactions among Li ions and charges at the Fe sites have made understanding stability and transport properties of the intermediate domains difficult. Long-range ordering at metastable intermediate eutectic composition of Li2/3 FePO4 has now been discovered and its superstructure determined, which reflected predominant polaron crystallization at the Fe sites followed by Li(+) redistribution to optimize the Li-Fe interactions.

  2. Method optimization for non-equilibrium solid phase microextraction sampling of HAPs for GC/MS analysis

    NASA Astrophysics Data System (ADS)

    Zawadowicz, M. A.; Del Negro, L. A.

    2010-12-01

    Hazardous air pollutants (HAPs) are usually present in the atmosphere at pptv-level, requiring measurements with high sensitivity and minimal contamination. Commonly used evacuated canister methods require an overhead in space, money and time that often is prohibitive to primarily-undergraduate institutions. This study optimized an analytical method based on solid-phase microextraction (SPME) of ambient gaseous matrix, which is a cost-effective technique of selective VOC extraction, accessible to an unskilled undergraduate. Several approaches to SPME extraction and sample analysis were characterized and several extraction parameters optimized. Extraction time, temperature and laminar air flow velocity around the fiber were optimized to give highest signal and efficiency. Direct, dynamic extraction of benzene from a moving air stream produced better precision (±10%) than sampling of stagnant air collected in a polymeric bag (±24%). Using a low-polarity chromatographic column in place of a standard (5%-Phenyl)-methylpolysiloxane phase decreased the benzene detection limit from 2 ppbv to 100 pptv. The developed method is simple and fast, requiring 15-20 minutes per extraction and analysis. It will be field-validated and used as a field laboratory component of various undergraduate Chemistry and Environmental Studies courses.

  3. Ion mixing and phase diagrams

    NASA Astrophysics Data System (ADS)

    Lau, S. S.; Liu, B. X.; Nicolet, M.-A.

    1983-05-01

    Interactions induced by ion irradiation are generally considered to be non-equilibrium processes, whereas phase diagrams are determined by phase equilibria. These two entities are seemingly unrelated. However, if one assumes that quasi-equilibrium conditions prevail after the prompt events, subsequent reactions are driven toward equilibrium by thermodynamical forces. Under this assumption, ion-induced reactions are related to equilibrium and therefore to phase diagrams. This relationship can be seen in the similarity that exists in thin films between reactions induced by ion irradiation and reactions induced by thermal annealing. In the latter case, phase diagrams have been used to predict the phase sequence of stable compound formation, notably so in cases of silicide formation. Ion-induced mixing not only can lead to stable compound formation, but also to metastable alloy formation. In some metal-metal systems, terminal solubilities can be greatly extended by ion mixing. In other cases, where the two constituents of the system have different crystal structures, extension of terminal solubility from both sides of the phase diagram eventually becomes structurally incompatible and a glassy (amorphous) mixture can form. The composition range where this bifurcation is likely to occur is in the two-phase regions of the phase diagram. These concepts are potentially useful guides in selecting metal pairs that from metallic glasses by ion mixing. In this report, phenomenological correlation between stable (and metastable) phase formation and phase diagram is discussed in terms of recent experimental data.

  4. Nonequilibrium molecular dynamics: The first 25 years

    SciTech Connect

    Hoover, W.G. |

    1992-08-01

    Equilibrium Molecular Dynamics has been generalized to simulate Nonequilibrium systems by adding sources of thermodynamic heat and work. This generalization incorporates microscopic mechanical definitions of macroscopic thermodynamic and hydrodynamic variables, such as temperature and stress, and augments atomistic forces with special boundary, constraint, and driving forces capable of doing work on, and exchanging heat with, an otherwise Newtonian system. The underlying Lyapunov instability of these nonequilibrium equations of motion links microscopic time-reversible deterministic trajectories to macroscopic time-irreversible hydrodynamic behavior as described by the Second Law of Thermodynamics. Green-Kubo linear-response theory has been checked. Nonlinear plastic deformation, intense heat conduction, shockwave propagation, and nonequilibrium phase transformation have all been simulated. The nonequilibrium techniques, coupled with qualitative improvements in parallel computer hardware, are enabling simulations to approximate real-world microscale and nanoscale experiments.

  5. Modulated voltage metastable ionization detector

    NASA Technical Reports Server (NTRS)

    Carle, G. C.; Kojiro, D. R.; Humphrey, D. E. (Inventor)

    1985-01-01

    The output current from a metastable ionization detector (MID) is applied to a modulation voltage circuit. An adjustment is made to balance out the background current, and an output current, above background, is applied to an input of a strip chart recorder. For low level concentrations, i.e., low detected output current, the ionization potential will be at a maximum and the metastable ionization detector will operate at its most sensitive level. When the detected current from the metastable ionization detector increases above a predetermined threshold level, a voltage control circuit is activated which turns on a high voltage transistor which acts to reduce the ionization potential. The ionization potential applied to the metastable ionization detector is then varied so as to maintain the detected signal level constant. The variation in ionization potential is now related to the concentration of the constituent and a representative amplitude is applied to another input of said strip chart recorder.

  6. Nonequilibrium is different

    NASA Astrophysics Data System (ADS)

    Kirkpatrick, T. R.; Dorfman, J. R.

    2015-08-01

    Nonequilibrium and equilibrium fluid systems differ due to the existence of long-range correlations in nonequilibrium that are not present in equilibrium, except at critical points. Here we examine fluctuations of the temperature, of the pressure tensor, and of the heat current in a fluid maintained in a nonequilibrium stationary state (NESS) with a fixed temperature gradient, a system in which the nonequilibrium correlations are especially long-ranged. For this particular NESS, our results show that (i) the mean-squared fluctuations in nonequilibrium differ markedly in their system-size scaling compared to their equilibrium counterparts, and (ii) there are large, nonlocal correlations of the normal stress in this NESS. These terms provide important corrections to the fluctuating normal stress in linearized Landau-Lifshitz fluctuating hydrodynamics.

  7. Non-equilibrium nanosecond-pulsed plasma generation in the liquid phase (water, PDMS) without bubbles: fast imaging, spectroscopy and leader-type model

    NASA Astrophysics Data System (ADS)

    Dobrynin, Danil; Seepersad, Yohan; Pekker, Mikhail; Shneider, Mikhail; Friedman, Gary; Fridman, Alexander

    2013-03-01

    In this paper we report the results on study of the non-equilibrium nanosecond discharge generation in liquid media. Here we studied the discharge in both water and silicon transformer oil, and present our findings on discharge behaviour depending on global (applied) electric, discharge emission spectrum and shadow imaging of the discharge. We also discuss possible scenarios of non-equilibrium nanosecond discharge development and suggest that the discharge operates in a leader-type regime supported by the electrostriction effect—creation of nano-sized pores in liquid due to high local electric field.

  8. Stabilization of a Metastable Fibrous Bi21.2(1)(Mn1–xCox )20 Phase with Pseudo-Pentagonal Symmetry Prepared Using a Bi Self-Flux

    DOE PAGES

    Thimmaiah, Srinivasa; Taufour, Valentin; Saunders, Scott; ...

    2016-11-15

    Bi21.2(1)(Mn1–xCox )20 is a new metastable phase which is synthesized via Bi self-flux, adopts a highly fibrous morpholo-gy, and decomposes endothermically near 168 °C. It crystallizes in the orthorhombic space group Imma with unit cell parameters α = 19.067(4) Å, $b$ = 4.6071(10) Å and c = 11.583(4) Å, adopting a low-temperature modification of BiNi-type structure by forming columns along the b-axis. Wave-length-dispersive X-ray spectroscopy (WDS) confirms the presence of Co in the structure, which is found to be 7 at.%. In each column, the transition metal (T) and Bi atoms construct a double-walled nanotubular arrangement of atoms around themore » disordered central Bi atoms. Electronic structure calculations (LMTO-ASA, LSDA) show that the calculated Fermi level falls into a pseudogap and also indicate a possible low-temperature magnetic ordering in the phase.« less

  9. Quasicritical brain dynamics on a nonequilibrium Widom line

    NASA Astrophysics Data System (ADS)

    Williams-García, Rashid V.; Moore, Mark; Beggs, John M.; Ortiz, Gerardo

    2014-12-01

    Is the brain really operating at a critical point? We study the nonequilibrium properties of a neural network which models the dynamics of the neocortex and argue for optimal quasicritical dynamics on the Widom line where the correlation length and information transmission are optimized. We simulate the network and introduce an analytical mean-field approximation, characterize the nonequilibrium phase transitions, and present a nonequilibrium phase diagram, which shows that in addition to an ordered and disordered phase, the system exhibits a "quasiperiodic" phase corresponding to synchronous activity in simulations, which may be related to the pathological synchronization associated with epilepsy.

  10. Quasicritical brain dynamics on a nonequilibrium Widom line.

    PubMed

    Williams-García, Rashid V; Moore, Mark; Beggs, John M; Ortiz, Gerardo

    2014-12-01

    Is the brain really operating at a critical point? We study the nonequilibrium properties of a neural network which models the dynamics of the neocortex and argue for optimal quasicritical dynamics on the Widom line where the correlation length and information transmission are optimized. We simulate the network and introduce an analytical mean-field approximation, characterize the nonequilibrium phase transitions, and present a nonequilibrium phase diagram, which shows that in addition to an ordered and disordered phase, the system exhibits a "quasiperiodic" phase corresponding to synchronous activity in simulations, which may be related to the pathological synchronization associated with epilepsy.

  11. Radiation-induced solid-state polymerization in an acrylamide-water system: The effect of phase transformations of metastable high-pressure ice VIII

    SciTech Connect

    Kiryukhin, D.P.; Barkalov, I.M.; Barkalov, O.I.

    1995-07-01

    A drastic suppression of the chain post polymerization process in the quenched high-pressure phase of an acrylamide-water eutectic mixture was observed upon warming of the samples irradiated with {gamma}-rays at 77 K. This effect is explained by dispersion of the samples in the temperature region of the transition of the quenched high-pressure phase into the equilibrium phase ({approximately}150K). The size of the resulting microcrystals of monomer was estimated to be approximately 0.1 {mu}m.

  12. Particle energy distributions and metastable atoms in transient low pressure interpulse microwave plasma

    NASA Astrophysics Data System (ADS)

    Pandey, Shail; Nath Patel, Dudh; Ram Baitha, Anuj; Bhattacharjee, Sudeep

    2015-12-01

    The electron energies and its distribution function are measured in non-equilibrium transient pulsed microwave plasmas in the interpulse regime using a retarding field electron energy analyzer. The plasmas are driven to different initial conditions by varying the electromagnetic (EM) wave pulse duration, peak power, or the wave frequency. Two cases of wave excitation are investigated: (i) short-pulse (pulse duration, t w ~ 1 μs), high-power (~60 kW) waves of 9.45 GHz and (ii) medium-pulse (t w ~ 20 μs), and moderate power waves of ~3 kW at 2.45 GHz. It is found that high-power, short-duration pulses lead to a significantly different electron energy probability function (EEPF) in the interpulse phase—a Maxwellian with a bump on the tail, although the average energy per pulse (~60 mJ) is maintained the same in the two modes of wave excitation. Electrons with energies  >250 eV are found to exist in the discharge in the both cases. Another subset of experiments is performed to delineate the effect of the wave frequency and the peak power on EEPF. A traveling wave tube (TWT) amplifier based microwave source for generating pulsed plasma (t w  =  230 μs) in a wide frequency range (6-18 GHz) is employed for this purpose. Further experiments on measurements of metastable density using optical emission spectroscopy and ion energy analyzer have been carried out. By tailoring the EEPF of the transient plasma and metastable densities, new applications in plasma processing, chemistry and biology can be realized in the interpulse phase of the discharge.

  13. Nonequilibrium interfaces in colloidal fluids

    NASA Astrophysics Data System (ADS)

    Bier, Markus; Arnold, Daniel

    2013-12-01

    The time-dependent structure, interfacial tension, and evaporation of an oversaturated colloid-rich (liquid) phase in contact with an undersaturated colloid-poor (vapor) phase of a colloidal dispersion is investigated theoretically during the early-stage relaxation, where the interface is relaxing towards a local equilibrium state while the bulk phases are still out of equilibrium. Since systems of this type exhibit a clear separation of colloidal and solvent relaxation time scales with typical times of interfacial tension measurements in between, they can be expected to be suitable for analogous experimental studies, too. The major finding is that, irrespective of how much the bulk phases differ from two-phase coexistence, the interfacial structure and the interfacial tension approach those at two-phase coexistence during the early-stage relaxation process. This is a surprising observation since it implies that the relaxation towards global equilibrium of the interface is not following but preceding that of the bulk phases. Scaling forms for the local chemical potential, the flux, and the dissipation rate exhibit qualitatively different leading order contributions depending on whether an equilibrium or a nonequilibrium system is considered. The degree of nonquilibrium between the bulk phases is found to not influence the qualitative relaxation behavior (i.e., the values of power-law exponents), but to determine the quantitative deviation of the observed quantities from their values at two-phase coexistence. Whereas the underlying dynamics differs between colloidal and molecular fluids, the behavior of quantities such as the interfacial tension approaching the equilibrium values during the early-stage relaxation process, during which nonequilibrium conditions of the bulk phases are not changed, can be expected to occur for both types of systems.

  14. Persistence of Metastability after Expansion of a Supercompressed Fluid Monolayer

    PubMed Central

    Smith, Ethan C.; Laderas, Ted G.; Crane, Jonathan M.; Hall, Stephen B.

    2012-01-01

    Fluid monolayers of 1-palmitoyl-2-oleoyl-phosphatidylcholine collapse from an air/water interface to form a three-dimensional bulk phase at the equilibrium spreading pressure (πe) of ~47 mN/m. This phase transition limits access to higher surface pressures under equilibrium conditions or during slow continuous compressions. We have shown previously that these films avoid collapse and become metastable when compressed on a captive bubble to surface pressures above 60 mN/m and that the metastability persists during expansion at least to πe. Here, we first documented the extent of this persistent metastability. Rates of isobaric collapse during expansion of the metastable films were up to 3 orders of magnitude slower than those during the initial compression to high surface pressures. Recovery of the ability to collapse depended on the surface pressure to which the films were expanded and how long they were held there. Films reverted after brief exposure to 20 mN/m and after 1 h at 35 mN/m. At πe, films remained capable of reaching high surface pressures during slow compressions after 65 h, although an increase in compressibility above 55 mN/m suggested somewhat increased rates of collapse. We also determined if the films remained metastable when they acquired sufficient free area to allow reinsertion of collapsed material. Faster isobaric expansion in the presence of more collapsed material and with further deviation below πe supported the existence of reinsertion. The persistence of metastability to πe shows that films with sufficient free area to allow reinsertion remain resistant to collapse. Observations that suggest heterogeneous reinsertion, however, argue that free area may be distributed heterogeneously and leave open the possibility that metastability persists because significant regions retain a restricted free area. PMID:15984255

  15. Metastable zirconia-yttria-alumina ceramics: Structure, processing and properties

    NASA Astrophysics Data System (ADS)

    Zhou, Xinzhang

    2002-09-01

    Metastable phases of zirconia-yttria-alumina produced by atmospheric plasma spray and subsequent quenching were studied. Two kinds of quenching methods were used: water quenching and splat quenching. Quenching rates were estimated to be 104°C/s for water quenching and between 105--107°C/s for splat quenching. Five compositions of sprayed dried powders (pure alumina, TZ3Y20A, TZ3Y57A, TZ3Y80A and pure zirconia) were plasma sprayed and quenched. The phases and microstructures of the plasma sprayed powders and thin films were investigated by XRD and FESEM. It was found that at different compositions and quenching rates, different high temperature phases formed. These phases are metastable at room temperature and can be in the form of an extended solid solution phase, an intermediate phase, or an amorphous structure. The grain sizes of the metastable phases are below 50 nm, as determined by XRD peak broadening. At the eutectic composition, zirconia-rich fibers (50 nm in diameter) uniformly distributed in an alumina-rich matrix were observed. 2-D and 3-D metastable phase diagrams were constructed to explain the metastable phase formation. Plasma spraying can be used to fabricate ceramic nanocomposites either by pressure-assisted sintering or spray forming of the metastable powders. Mechanical properties of TZ3Y20A specimens produced by plasma spray forming on steel substrates were studied. The dependence of the 4-point bend strength on plasma spray parameters was studied by a 26-2 statistical experimental design. It was found that the bend strength was sensitive to both standoff distance and scanning speed. The results of study show much promise in applications of the metastable ceramics. Firstly, homogeneous nucleation and growth of stable phases during sintering and high creep rate at elevated temperatures will result in uniformly dense nanoceramic composites. Secondly, extended solid solutions of rare earth elements in glass will greatly enhance the optical

  16. Nonequilibrium molecular dynamics

    SciTech Connect

    Hoover, W.G. . Dept. of Applied Science Lawrence Livermore National Lab., CA )

    1990-11-01

    The development of nonequilibrium molecular dynamics is described, with emphasis on massively-parallel simulations involving the motion of millions, soon to be billions, of atoms. Corresponding continuum simulations are also discussed. 14 refs., 8 figs.

  17. A metastable liquid melted from a crystalline solid under decompression

    DOE PAGES

    Lin, Chuanlong; Smith, Jesse S.; Sinogeikin, Stanislav V.; ...

    2017-01-23

    A metastable liquid may exist under supercooling, sustaining the liquid below the melting point such as supercooled water and silicon. It may also exist as a transient state in solid–solid transitions, as demonstrated in recent studies of colloidal particles and glass-forming metallic systems. One important question is whether a crystalline solid may directly melt into a sustainable metastable liquid. By thermal heating, a crystalline solid will always melt into a liquid above the melting point. Here we report that a high-pressure crystalline phase of bismuth can melt into a metastable liquid below the melting line through a decompression process. Themore » decompression-induced metastable liquid can be maintained for hours in static conditions, and transform to crystalline phases when external perturbations, such as heating and cooling, are applied. It occurs in the pressure–temperature region similar to where the supercooled liquid Bi is observed. Finally, akin to supercooled liquid, the pressure-induced metastable liquid may be more ubiquitous than we thought.« less

  18. A metastable liquid melted from a crystalline solid under decompression

    NASA Astrophysics Data System (ADS)

    Lin, Chuanlong; Smith, Jesse S.; Sinogeikin, Stanislav V.; Kono, Yoshio; Park, Changyong; Kenney-Benson, Curtis; Shen, Guoyin

    2017-01-01

    A metastable liquid may exist under supercooling, sustaining the liquid below the melting point such as supercooled water and silicon. It may also exist as a transient state in solid-solid transitions, as demonstrated in recent studies of colloidal particles and glass-forming metallic systems. One important question is whether a crystalline solid may directly melt into a sustainable metastable liquid. By thermal heating, a crystalline solid will always melt into a liquid above the melting point. Here we report that a high-pressure crystalline phase of bismuth can melt into a metastable liquid below the melting line through a decompression process. The decompression-induced metastable liquid can be maintained for hours in static conditions, and transform to crystalline phases when external perturbations, such as heating and cooling, are applied. It occurs in the pressure-temperature region similar to where the supercooled liquid Bi is observed. Akin to supercooled liquid, the pressure-induced metastable liquid may be more ubiquitous than we thought.

  19. A metastable liquid melted from a crystalline solid under decompression

    PubMed Central

    Lin, Chuanlong; Smith, Jesse S.; Sinogeikin, Stanislav V.; Kono, Yoshio; Park, Changyong; Kenney-Benson, Curtis; Shen, Guoyin

    2017-01-01

    A metastable liquid may exist under supercooling, sustaining the liquid below the melting point such as supercooled water and silicon. It may also exist as a transient state in solid–solid transitions, as demonstrated in recent studies of colloidal particles and glass-forming metallic systems. One important question is whether a crystalline solid may directly melt into a sustainable metastable liquid. By thermal heating, a crystalline solid will always melt into a liquid above the melting point. Here we report that a high-pressure crystalline phase of bismuth can melt into a metastable liquid below the melting line through a decompression process. The decompression-induced metastable liquid can be maintained for hours in static conditions, and transform to crystalline phases when external perturbations, such as heating and cooling, are applied. It occurs in the pressure–temperature region similar to where the supercooled liquid Bi is observed. Akin to supercooled liquid, the pressure-induced metastable liquid may be more ubiquitous than we thought. PMID:28112152

  20. Metastable Packaging For Transient Electronics

    DTIC Science & Technology

    2014-09-01

    dated 16 Jan 09. Report contains color. 14. ABSTRACT Metastable polymeric materials were synthesized, formulated with additives and microcapsules ...photoacid generation, thermal activation, and mechanical rupture of acid-filled microcapsules -- were investigated. 15. SUBJECT TERMS transient...carbonate sulfone) (PVBCS)... 11  3.3  Thermal and Mechanical Triggered Transience of Electronic Devices via Embedded Microcapsules

  1. Metastable states of plasma particles close to a charged surface

    SciTech Connect

    Shavlov, A. V.; Dzhumandzhi, V. A.

    2015-09-15

    The free energy of the plasma particles and the charged surface that form an electroneutral system is calculated on the basis of the Poisson-Boltzmann equation. It is shown that, owing to correlation of light plasma particles near the charged surface and close to heavy particles of high charge, there can be metastable states in plasma. The corresponding phase charts of metastable states of the separate components of plasma, and plasma as a whole, are constructed. These charts depend on temperature, the charge magnitude, the size of the particles, and the share of the charge of the light carriers out of the total charge of the plasma particles.

  2. Metastable phase formation during α2(D019) to γ(L10) transformation in as-atomized γ-TiAl alloy powders

    NASA Astrophysics Data System (ADS)

    Karadge, M.; Gouma, P. I.

    2004-11-01

    α2(D019) to γ(L10) transformation during heating of as-atomized γ-TiAl powder was investigated by differential scanning calorimetry and x-ray diffraction. The as-atomized coarse powder particles (γ-TiAl powder: Ti -45Al-2Nb-0.7Mo-0.1W-2Cr-0.27O-0.2Si) with large amounts of retained α2 are a perfect candidate to investigate this transformation. It was observed that α2 to γ transformation is a two-step process involving the formation of a disordered face-centered-cubic γ 'TiAl [with a (γ')=c(γ)] as an intermediate phase followed by ordering.

  3. Metastable Lennard-Jones fluids. III. Bulk viscosity.

    PubMed

    Baidakov, Vladimir G; Protsenko, Sergey P

    2014-09-21

    The method of equilibrium molecular-dynamics simulation in combination with the Green-Kubo formula has been used to calculate the bulk viscosity of a Lennard-Jones fluid. Calculations have been made at temperatures 0.4 ≤ k(B)T/ɛ ≤ 2.0 and densities 0.0075 ≤ ρσ(3) ≤ 1.2 at 116 stable and 106 metastable states of liquid and gas. The depth of penetration into the region of metastable states was limited by spontaneous nucleation. In the region of stable states the data obtained are compared with the results of previous investigations. It has been established that the system transition across the lines of liquid-gas and liquid-crystal phase equilibrium and penetration into the metastable regions of liquid and gas are connected with increasing bulk viscosity. The behavior of bulk viscosity close to the spinodal of a superheated liquid and supersaturated vapor is discussed.

  4. Stochastic optimal velocity model and its long-lived metastability.

    PubMed

    Kanai, Masahiro; Nishinari, Katsuhiro; Tokihiro, Tetsuji

    2005-09-01

    In this paper, we propose a stochastic cellular automaton model of traffic flow extending two exactly solvable stochastic models, i.e., the asymmetric simple exclusion process and the zero range process. Moreover, it is regarded as a stochastic extension of the optimal velocity model. In the fundamental diagram (flux-density diagram), our model exhibits several regions of density where more than one stable state coexists at the same density in spite of the stochastic nature of its dynamical rule. Moreover, we observe that two long-lived metastable states appear for a transitional period, and that the dynamical phase transition from a metastable state to another metastable/stable state occurs sharply and spontaneously.

  5. Charge metastability and hysteresis in the quantum Hall regime

    NASA Astrophysics Data System (ADS)

    Pollanen, J.; Eisenstein, J. P.; Pfeiffer, L. N.; West, K. W.

    2016-12-01

    We report simultaneous quasi-dc magnetotransport and high-frequency surface acoustic wave measurements on bilayer two-dimensional electron systems in GaAs. Near strong integer quantized Hall states, a strong magnetic-field-sweep hysteresis in the velocity of the acoustic waves is observed at low temperatures. This hysteresis indicates the presence of a metastable state with anomalously high conductivity in the interior of the sample. This nonequilibrium state is not revealed by conventional low-frequency transport measurements which are dominated by dissipationless transport at the edge of the two-dimensional system. We find that a field-cooling technique allows the equilibrium charge configuration within the interior of the sample to be established. A simple model for this behavior is discussed.

  6. Sequential evolution of different phases in metastable Gd(2-x)Ce(x)Zr(2-x)Al(x)O7 (0.0 ≤ x ≤ 2.0) system: crucial role of reaction conditions.

    PubMed

    Shukla, Rakesh; Sayed, Farheen N; Phapale, Suhas; Mishra, Ratikant; Tyagi, Avesh K

    2013-07-15

    The Gd(2-x)Ce(x)Zr(2-x)Al(x)O7 (0.0 ≤ x ≤ 2.0) series was synthesized by the gel combustion method. This system exhibited the presence of a fluorite-type phase, along with a narrow biphasic region, depending upon the Ce/Gd content in the sample. Thermal stability of these new compounds under oxidizing and reducing conditions has been investigated. The products obtained on decomposition of Gd(2-x)Ce(x)Zr(2-x)Al(x)O7 in oxidizing and reducing conditions were found to be entirely different. It was observed that in air the fluorite-type solid solutions of Gd(2-x)Ce(x)Zr(2-x)Al(x)O7 composition undergo phase separation into perovskite GdAlO3 and fluorite-type solid solutions of Gd-Ce-Zr-O or Ce-Zr-Al-O depending upon the extent of Ce and Al substitution. On the other hand, Gd(2-x)Ce(x)Zr(2-x)Al(x)O7 samples on heating under reducing conditions show a phase separation to CeAlO3 perovskite and a defect-fluorite of Gd2Zr2O7. The extent of metastability for a typical composition of Gd(1.2)Ce(0.8)Zr(1.2)Al(0.8)O7 (nano), Gd(1.2)Ce(0.8)Zr(1.2)Al(0.8)O(6.6) (heated under reduced conditions), Gd(1.2)Ce(0.8)Zr(1.2)Al(0.8)O7 (heated in air at 1200 °C) has been experimentally determined employing a high temperature Calvet calorimeter. On the basis of thermodynamic stability data, it could be inferred that the formation of a more stable compound in the presence of two competing cations (i.e., Gd(3+) and Ce(3+)) is guided by the crystallographic stability.

  7. Nonequilibrium evolution of window overlaps in spin glasses

    NASA Astrophysics Data System (ADS)

    Manssen, Markus; Hartmann, Alexander K.; Young, A. P.

    2015-03-01

    We investigate numerically the time dependence of "window" overlaps in a three-dimensional Ising spin glass below its transition temperature after a rapid quench. Using an efficient GPU implementation, we are able to study large systems up to lateral length L =128 and up to long times of t =108 sweeps. We find that the data scales according to the ratio of the window size W to the nonequilibrium coherence length ξ (t ) . We also show a substantial change in behavior if the system is run for long enough that it globally equilibrates, i.e., ξ (t )≈L /2 , where L is the lattice size. This indicates that the local behavior of a spin glass depends on the spin configurations (and presumably also the bonds) far away. We compare with similar simulations for the Ising ferromagnet. Based on these results, we speculate on a connection between the nonequilibrium dynamics discussed here and averages computed theoretically using the "metastate."

  8. Cyclic cosmology, conformal symmetry and the metastability of the Higgs

    NASA Astrophysics Data System (ADS)

    Bars, Itzhak; Steinhardt, Paul J.; Turok, Neil

    2013-10-01

    Recent measurements at the LHC suggest that the current Higgs vacuum could be metastable with a modest barrier (height ( GeV)4) separating it from a ground state with negative vacuum density of order the Planck scale. We note that metastability is problematic for standard bang cosmology but is essential for cyclic cosmology in order to end one cycle, bounce, and begin the next. In this Letter, motivated by the approximate scaling symmetry of the standard model of particle physics and the primordial large-scale structure of the universe, we use our recent formulation of the Weyl-invariant version of the standard model coupled to gravity to track the evolution of the Higgs in a regularly bouncing cosmology. We find a band of solutions in which the Higgs field escapes from the metastable phase during each big crunch, passes through the bang into an expanding phase, and returns to the metastable vacuum, cycle after cycle after cycle. We show that, due to the effect of the Higgs, the infinitely cycling universe is geodesically complete, in contrast to inflation.

  9. Combined effect of non-equilibrium solidification and thermal annealing on microstructure evolution and hardness behavior of AZ91 magnesium alloy

    NASA Astrophysics Data System (ADS)

    Zhou, Z. Z.; Yang, W.; Chen, S. H.; Yu, H.; Xu, Z. F.

    2014-06-01

    Non-equilibrium solidification of commercial AZ91 magnesium alloy was performed by copper mold spray-casting technique and the thermal stability property of as-formed meta-stable microstructure was investigated by subsequent annealing at different temperatures and times. Remarkable grain refinement appears with increasing cooling rate during solidification process, which is accompanied by a visible cellular/dendrite transition for the grain morphology of primary phase. Moreover, the non-equilibrium solidified alloy exhibits obvious precipitation hardening effect upon annealing at 200 °C, and the precipitation mode of β-Mg17Al12 phase changes from discontinuous to continuous with extending isothermal time from 4 h to 16 h, which generates an increase of resultant micro-hardness value. After solid solution treatment at the elevated temperature of 420 °C, the volume fraction of β-Mg17Al12 phase decreases and a notable grain growth phenomenon occurs, which give rise to a reduction of hardness in comparison with that of as-quenched alloy.

  10. Local non-equilibrium thermodynamics

    PubMed Central

    Jinwoo, Lee; Tanaka, Hajime

    2015-01-01

    Local Shannon entropy lies at the heart of modern thermodynamics, with much discussion of trajectory-dependent entropy production. When taken at both boundaries of a process in phase space, it reproduces the second law of thermodynamics over a finite time interval for small scale systems. However, given that entropy is an ensemble property, it has never been clear how one can assign such a quantity locally. Given such a fundamental omission in our knowledge, we construct a new ensemble composed of trajectories reaching an individual microstate, and show that locally defined entropy, information, and free energy are properties of the ensemble, or trajectory-independent true thermodynamic potentials. We find that the Boltzmann-Gibbs distribution and Landauer's principle can be generalized naturally as properties of the ensemble, and that trajectory-free state functions of the ensemble govern the exact mechanism of non-equilibrium relaxation. PMID:25592077

  11. Nucleation of metastable aragonite CaCO3 in seawater

    PubMed Central

    Sun, Wenhao; Jayaraman, Saivenkataraman; Chen, Wei; Persson, Kristin A.; Ceder, Gerbrand

    2015-01-01

    Predicting the conditions in which a compound adopts a metastable structure when it crystallizes out of solution is an unsolved and fundamental problem in materials synthesis, and one which, if understood and harnessed, could enable the rational design of synthesis pathways toward or away from metastable structures. Crystallization of metastable phases is particularly accessible via low-temperature solution-based routes, such as chimie douce and hydrothermal synthesis, but although the chemistry of the solution plays a crucial role in governing which polymorph forms, how it does so is poorly understood. Here, we demonstrate an ab initio technique to quantify thermodynamic parameters of surfaces and bulks in equilibrium with an aqueous environment, enabling the calculation of nucleation barriers of competing polymorphs as a function of solution chemistry, thereby predicting the solution conditions governing polymorph selection. We apply this approach to resolve the long-standing “calcite–aragonite problem”––the observation that calcium carbonate precipitates as the metastable aragonite polymorph in marine environments, rather than the stable phase calcite––which is of tremendous relevance to biomineralization, carbon sequestration, paleogeochemistry, and the vulnerability of marine life to ocean acidification. We identify a direct relationship between the calcite surface energy and solution Mg–Ca ion concentrations, showing that the calcite nucleation barrier surpasses that of metastable aragonite in solutions with Mg:Ca ratios consistent with modern seawater, allowing aragonite to dominate the kinetics of nucleation. Our ability to quantify how solution parameters distinguish between polymorphs marks an important step toward the ab initio prediction of materials synthesis pathways in solution. PMID:25739963

  12. Nucleation of metastable aragonite CaCO3 in seawater.

    PubMed

    Sun, Wenhao; Jayaraman, Saivenkataraman; Chen, Wei; Persson, Kristin A; Ceder, Gerbrand

    2015-03-17

    Predicting the conditions in which a compound adopts a metastable structure when it crystallizes out of solution is an unsolved and fundamental problem in materials synthesis, and one which, if understood and harnessed, could enable the rational design of synthesis pathways toward or away from metastable structures. Crystallization of metastable phases is particularly accessible via low-temperature solution-based routes, such as chimie douce and hydrothermal synthesis, but although the chemistry of the solution plays a crucial role in governing which polymorph forms, how it does so is poorly understood. Here, we demonstrate an ab initio technique to quantify thermodynamic parameters of surfaces and bulks in equilibrium with an aqueous environment, enabling the calculation of nucleation barriers of competing polymorphs as a function of solution chemistry, thereby predicting the solution conditions governing polymorph selection. We apply this approach to resolve the long-standing "calcite-aragonite problem"--the observation that calcium carbonate precipitates as the metastable aragonite polymorph in marine environments, rather than the stable phase calcite--which is of tremendous relevance to biomineralization, carbon sequestration, paleogeochemistry, and the vulnerability of marine life to ocean acidification. We identify a direct relationship between the calcite surface energy and solution Mg:Ca [corrected] ion concentrations, showing that the calcite nucleation barrier surpasses that of metastable aragonite in solutions with Mg:Ca ratios consistent with modern seawater, allowing aragonite to dominate the kinetics of nucleation. Our ability to quantify how solution parameters distinguish between polymorphs marks an important step toward the ab initio prediction of materials synthesis pathways in solution.

  13. Geometrically induced metastability and holography

    SciTech Connect

    Aganagic, Mina; Aganagic, Mina; Beem, Christopher; Seo, Jihye; Vafa, Cumrun

    2006-10-23

    We construct metastable configurations of branes and anti-branes wrapping 2-spheres inside local Calabi-Yau manifolds and study their large N duals. These duals are Calabi-Yau manifolds in which the wrapped 2-spheres have been replaced by 3-spheres with flux through them, and supersymmetry is spontaneously broken. The geometry of the non-supersymmetric vacuum is exactly calculable to all orders of the't Hooft parameter, and to the leading order in 1/N. The computation utilizes the same matrix model techniques that were used in the supersymmetric context. This provides a novel mechanism for breaking supersymmetry in the context of flux compactifications.

  14. Supersonic Jet Mixing with Vibrational Non-Equilibrium

    NASA Astrophysics Data System (ADS)

    Reising, Heath H.; Kc, Utsav; Varghese, Philip L.; Clemens, Noel T.

    2013-11-01

    A new study has been initiated to study the effect of vibrational non-equilibrium on turbulent mixing and combustion. This work is relevant to high-speed, high-temperature environments, such as scramjet combustors, where shocks and mixing can lead to high degrees of vibrational non-equilibrium. In this experimental study, a new facility has been developed that consists of a perfectly-expanded axisymmetric Mach 1.5 turbulent air jet issuing into an electrically heated co-flow of air for precise control of the temperature and thus vibrationally-active population. This hot flow can be brought into non-equilibrium when the co-flow fluid is rapidly mixed with the colder supersonic jet fluid. Effects of the non-equilibrium can be isolated by replacing the nitrogen in the flow with argon. The degree of non-equilibrium in the jet shear layers is quantified by using high-spectral resolution time-averaged spontaneous Raman scattering centered on the Stokes-shifted Q branch line of N2 at 607 nm. In this first phase of the study, the effect of non-equilibrium on the mixing field will be investigated, but future work will focus on H2-air combustion. Planar Rayleigh thermometry is utilized to investigate the effects of vibrational non-equilibrium on the turbulent structures and thermal dissipation field. This work was funded by the Air Force Office of Scientific Research under BRI grant FA9550-12-0460.

  15. Theoretical Studies of the Lifetime of Metastable H3

    DTIC Science & Technology

    1990-11-01

    Aharonov - Bohm , MAB, metastable 21 09 lifetimes 19. ABSTRACT (Continue on reverse if necessary and identify by block number) In this report, the major steps...Molecular Aharonov - Bohm (MAB) effect (or Berry’s geometric phase). This effect has a profound influence on both the bound and scattering states of...this surface and the ground state one introduces the Molecular Aharonov - Bohm (MBA) effect 49 - 5 2 which needs special treatment, and since we also want

  16. Quench-Condensed Microalloyed Particles: a Microscopic View of Solid Solubility and Metastability

    NASA Astrophysics Data System (ADS)

    Lamberti, Vincent Edward

    Solid solubility and metastability in noble-metal and iron-silver alloys have been studied from the perspective of microalloyed particles. Samples were obtained through a novel, gram-scale technique that consisted of cocondensation of two elemental metal vapors with a large excess of inert gas on the reaction surface of a rotating cryostat at 77 K. This technique permitted greater control of both particle size and composition than conventional gas aggregation methods. The chemical and physical characteristics of the microalloys have been elaborated through chemical analysis, x-ray diffraction, electron microscopy, temperature-programmed mass spectrometry, EXAFS, XPS and Moessbauer spectroscopy. Electron microscopy indicated the microstructures of copper-gold and copper-silver microalloys prepared in sulfur hexafluoride to consist of discrete collections of crystallites suspended in amorphous "baths". The average dimensions of the crystallites were <100 A, while the aggregates spanned hundreds of nanometers. The microstructures of both systems were metastable. The EXAFS of a copper-silver microalloy showed it to be stiffer, as well as more disordered, than a homometallic copper product. The EXAFS also showed no detectable Cu-Ag contacts, but suggested the existence (through a "missing-atom" effect) of a large number of disordered copper sites. Moessbauer spectra of an iron -silver microalloy prepared in xenon revealed the presence of a superparamagnetic alloy phase characterized by a blocking temperature of approximately 45 K. Cocondensations of iron vapor with excess sulfur hexafluoride produced ultrafine (dimensions ~ 100 A), amorphous particles that were decorated with a -CF_{2^-} polymer. The formation of the polymer was attributed to reaction of the iron with the matrix and adventitious organic compounds--that is, to activation of S-F and C-H bonds. Matrix isolation experiments indicated that, although inert in their ground-state configuration, photoexcited (4p

  17. Metastable Supersymmetry Breaking in a Cooling Universe

    SciTech Connect

    Kaplunovsky, Vadim S.

    2007-11-20

    I put metastable supersymmetry breaking in a cosmological context. I argue that under reasonable assumptions, the cooling down early Universe favors metastable SUSY-breaking vacua over the stable supersymmetric vacua. To illustrate the general argument, I analyze the early-Universe history of the Intriligator-Seiberg-Shih model.

  18. Impact of phase change kinetics on the Mariana slab within the framework of 2-D mantle convection

    NASA Astrophysics Data System (ADS)

    Yoshioka, Shoichi; Torii, Yoku; Riedel, Michael R.

    2015-03-01

    Recent high-pressure and high-temperature experiments indicate that metastable olivine might persist in the cold core of a slab due to the low reaction rate of the olivine-wadsleyite phase transformation. Recent seismological observations detected a metastable olivine wedge that survives to a depth of 630 km in the Mariana slab. To consider the problem of non-equilibrium phase transformation, we developed a two-dimensional (2-D) Cartesian numerical code that incorporates the effects of kinetics into a thermal convection model. We consider the kinetics of the 410-km olivine-wadsleyite and the 660-km ringwoodite-Pv + Mw phase transformations, including the effects of water content at the 410-km phase boundary. The latent heat release of the 410-km non-equilibrium phase transformations inside the slab is also considered. The results show positive correlations between some of the controlling parameters and the length of the metastable olivine wedge: the faster the subducting velocity, and the lower the water content, the deeper is the metastable olivine wedge. With increasing depth of phase transformation, the effect of latent heat release is enhanced: heating of, at most, 100 °C occurs if olivine transforms into wadsleyite at a depth of approximately 570 km in our model setting. Temperature increase due to the latent heat released stimulates further phase transformation, resulting in further temperature increase, acting as a positive feedback effect. We also attempt to explain the seismological observations by calculating the temperature and phase structures in the Mariana slab. If we assume that the age of the Mariana slab is 150 Myr, the subduction velocity is 9.5 cm/yr, phase transformation occurs from the grain boundary of the parental phase, and the water content is 250 wt. ppm for a grain size of 1 mm, 300 wt. ppm for one of 5 mm, and 100 wt. ppm for intracrystalline transformation, then the metastable olivine wedge survives to a depth of 630 km, which is in

  19. Instability of colliding metastable strings

    NASA Astrophysics Data System (ADS)

    Hiramatsu, Takashi; Eto, Minoru; Kamada, Kohei; Kobayashi, Tatsuo; Ookouchi, Yutaka

    2014-01-01

    The breaking of U(1) R symmetry plays a crucial role in modeling the breaking of supersymmetry (SUSY). In the models that possess both SUSY preserving and SUSY breaking vacua, tube-like cosmic strings called R-tubes, whose surfaces are constituted by domain walls interpolating a false and a true vacuum with some winding numbers, can exist. Their (in)stability can strongly constrain SUSY breaking models theirselves. In the present study, we investigate the dynamical (in)stability of two colliding metastable tube-like strings by field-theoretic simulations. From them, we find that the strings become unstable, depending on the relative collision angle and speed of two strings, and the false vacuum is eventually filled out by the true vacuum owing to rapid expansion of the strings or unstable bubbles created as remnants of the collision.

  20. Atom lithography with metastable helium

    SciTech Connect

    Allred, Claire S.; Reeves, Jason; Corder, Christopher; Metcalf, Harold

    2010-02-15

    A bright metastable helium (He*) beam is collimated sequentially with the bichromatic force and three optical molasses velocity compression stages. Each He* atom in the beam has 20 eV of internal energy that can destroy a molecular resist assembled on a gold coated silicon wafer. Patterns in the resist are imprinted onto the gold layer with a standard selective etch. Patterning of the wafer with the He{sup *} was demonstrated with two methods. First, a mesh was used to protect parts of the wafer making an array of grid lines. Second, a standing wave of {lambda}=1083 nm light was used to channel and focus the He* atoms into lines separated by {lambda}/2. The patterns were measured with an atomic force microscope establishing an edge resolution of 80 nm. Our results are reliable and repeatable.

  1. Persistence of metastable vortex lattice domains in MgB2 in the presence of vortex motion.

    PubMed

    Rastovski, C; Schlesinger, K J; Gannon, W J; Dewhurst, C D; DeBeer-Schmitt, L; Zhigadlo, N D; Karpinski, J; Eskildsen, M R

    2013-09-06

    Recently, extensive vortex lattice metastability was reported in MgB2 in connection with a second-order rotational phase transition. However, the mechanism responsible for these well-ordered metastable vortex lattice phases is not well understood. Using small-angle neutron scattering, we studied the vortex lattice in MgB2 as it was driven from a metastable to the ground state through a series of small changes in the applied magnetic field. Our results show that metastable vortex lattice domains persist in the presence of substantial vortex motion and directly demonstrate that the metastability is not due to vortex pinning. Instead, we propose that it is due to the jamming of counterrotated vortex lattice domains which prevents a rotation to the ground state orientation.

  2. Persistence of Metastable Vortex Lattice Domains in MgB2 in the Presence of Vortex Motion

    SciTech Connect

    Rastovski, Catherine; Schlesinger, Kimberly; Gannon, William J; Dewhurst, Charles; Debeer-Schmitt, Lisa M; Zhigadlo, Nikolai; Karpinski, Janusz; Eskildsen, Morten

    2013-01-01

    Recently, extensive vortex lattice metastability was reported in MgB2 in connection with a second-order rotational phase transition. However, the mechanism responsible for these well-ordered metastable vortex lattice phases is not well understood. Using small-angle neutron scattering, we studied the vortex lattice in MgB2 as it was driven from a metastable to the ground state through a series of small changes in the applied magnetic field. Our results show that metastable vortex lattice domains persist in the presence of substantial vortex motion and directly demonstrate that the metastability is not due to vortex pinning. Instead, we propose that it is due to the jamming of counterrotated vortex lattice domains which prevents a rotation to the ground state orientation.

  3. Multistage Zeeman deceleration of metastable neon

    SciTech Connect

    Wiederkehr, Alex W.; Motsch, Michael; Hogan, Stephen D.; Andrist, Markus; Schmutz, Hansjuerg; Lambillotte, Bruno; Agner, Josef A.; Merkt, Frederic

    2011-12-07

    A supersonic beam of metastable neon atoms has been decelerated by exploiting the interaction between the magnetic moment of the atoms and time-dependent inhomogeneous magnetic fields in a multistage Zeeman decelerator. Using 91 deceleration solenoids, the atoms were decelerated from an initial velocity of 580 m/s to final velocities as low as 105 m/s, corresponding to a removal of more than 95% of their initial kinetic energy. The phase-space distribution of the cold, decelerated atoms was characterized by time-of-flight and imaging measurements, from which a temperature of 10 mK was obtained in the moving frame of the decelerated sample. In combination with particle-trajectory simulations, these measurements allowed the phase-space acceptance of the decelerator to be quantified. The degree of isotope separation that can be achieved by multistage Zeeman deceleration was also studied by performing experiments with pulse sequences generated for {sup 20}Ne and {sup 22}Ne.

  4. Modelling non-equilibrium secondary organic aerosol formation and evaporation with the aerosol dynamics, gas- and particle-phase chemistry kinetic multilayer model ADCHAM

    SciTech Connect

    Roldin, P.; Eriksson, A. C.; Nordin, E. Z.; Hermansson, E.; Mogensen, Ditte; Rusanen, A.; Boy, Michael; Swietlicki, E.; Svenningsson, Birgitta; Zelenyuk, Alla; Pagels, J.

    2014-08-11

    We have developed the novel Aerosol Dynamics, gas- and particle- phase chemistry model for laboratory CHAMber studies (ADCHAM). The model combines the detailed gas phase Master Chemical Mechanism version 3.2, an aerosol dynamics and particle phase chemistry module (which considers acid catalysed oligomerization, heterogeneous oxidation reactions in the particle phase and non-ideal interactions between organic compounds, water and inorganic ions) and a kinetic multilayer module for diffusion limited transport of compounds between the gas phase, particle surface and particle bulk phase. In this article we describe and use ADCHAM to study: 1) the mass transfer limited uptake of ammonia (NH3) and formation of organic salts between ammonium (NH4+) and carboxylic acids (RCOOH), 2) the slow and almost particle size independent evaporation of α-pinene secondary organic aerosol (SOA) particles, and 3) the influence of chamber wall effects on the observed SOA formation in smog chambers.

  5. Combined physical and chemical nonequilibrium transport model for solution conduits.

    PubMed

    Field, Malcolm S; Leij, Feike J

    2014-02-01

    Solute transport in karst aquifers is primarily constrained to relatively complex and inaccessible solution conduits where transport is often rapid, turbulent, and at times constrictive. Breakthrough curves generated from tracer tests in solution conduits are typically positively-skewed with long tails evident. Physical nonequilibrium models to fit breakthrough curves for tracer tests in solution conduits are now routinely employed. Chemical nonequilibrium processes are likely important interactions, however. In addition to partitioning between different flow domains, there may also be equilibrium and nonequilibrium partitioning between the aqueous and solid phases. A combined physical and chemical nonequilibrium (PCNE) model was developed for an instantaneous release similar to that developed by Leij and Bradford (2009) for a pulse release. The PCNE model allows for partitioning open space in solution conduits into mobile and immobile flow regions with first-order mass transfer between the two regions to represent physical nonequilibrium in the conduit. Partitioning between the aqueous and solid phases proceeds either as an equilibrium process or as a first-order process and represents chemical nonequilibrium for both the mobile and immobile regions. Application of the model to three example breakthrough curves demonstrates the applicability of the combined physical and chemical nonequilibrium model to tracer tests conducted in karst aquifers, with exceptionally good model fits to the data. The three models, each from a different state in the United States, exhibit very different velocities, dispersions, and other transport properties with most of the transport occurring via the fraction of mobile water. Fitting the model suggests the potentially important interaction of physical and chemical nonequilibrium processes.

  6. INTRODUCTION: Nonequilibrium Processes in Plasmas

    NASA Astrophysics Data System (ADS)

    Petrović, Zoran; Marić, Dragana; Malović, Gordana

    2009-07-01

    lead to new fundamental understanding is illustrated well in the paper by Uwe Czarnetzki which describes a new method for separate control of flux and energy of ions reaching the surface of electrodes. Deborah O'Connell from Belfast has shown space and phase resolved mode transitions in rf inductively coupled plasmas obtained by optical emission measurements. At the same time an application of a similar rf discharge for the treatment of paper was presented by Irina Filatova from Belarus. Many applications of non-equilibrium plasmas depend on the development of plasma sources operating at atmospheric pressure and one such source that promises to be prominent in medicine is described by Timo Gans. In a similar way, practical considerations require studies of the injection of liquids into plasmas and progress on the development of one such source is described by Mathew Goeckner and his colleagues from Dallas. From the Institute Jožef Štefan in Slovenia and the group of Miran Mozetič we have a detailed review of their work on functionalization of organic materials by oxygen plasmas. Even higher density plasmas, where the collective phenomena dominate, show different degrees of non-equilibrium and one example presented here by Zoltan Donko deals with two dimensional plasma dust crystals and liquids, while the lecture by Jovo Vranješ from Belgium deals with the treatment of collisions in multicomponent plasmas. Finally we have papers on the transport of pollutants. The association of the two fields started initially through joint interest in some of the methods for removal of NOx and SOx, from electrostatic precipitation of industrial dust to dielectric barrier discharges. The joint work continued on the application of flowing afterglow plasma combined with a hollow cathode discharge in order to achieve a proton transfer mass analysis of organic volatile compounds and also on the possibilities of applying similar methods for solving transport equations. In this volume we

  7. Block Copolymer Metastability: Scientific Nightmare or Engineering Dream?

    NASA Astrophysics Data System (ADS)

    Bates, Frank S.

    1997-03-01

    Most experimental studies and almost all theories that deal with block copolymers, or mixtures of block copolymers and homopolymers, have been designed from an equilibrium perspective. Yet a myriad of factors conspire to retard approach to equilibrium in these systems, including: subtle features in the free energy surface that are controlled by ordered state symmetry; a coupling between microphase separation and entanglement dynamics; complex molecular architectures such as multiblock, starblock, and miktoarm. Even unentangled low molecular weight diblock copolymers, the simplest and dynamically least encumbered materials, exhibit long-lived metastable states that confound attempts to validate equilibrium theories. However, this apparent dilemma can be exploited through clever processing strategies. This lecture will address two opposing consequences of block copolymer metastability. The first is a potential nightmare: Can we ever establish universal block copolymer phase diagrams? The second is the stuff of dreams: Self-assembled thermoset nanocomposites.

  8. Effect of metastables on a sustaining mechanism in inductively coupled plasma in Ar

    NASA Astrophysics Data System (ADS)

    Sato, Toshikazu; Makabe, Toshiaki

    2005-12-01

    We numerically predicted the spatial distribution of Ar metastables in an inductively coupled plasma (ICP) source; this distribution may be an indicator of the behavior of long-lived neutral radicals in a reactive plasma. We investigated the effect of metastables on the sustaining mechanism in ICP in Ar. The predicted two-dimensional profile of Ar metastables agreed reasonably well with experimental results. The transition of the sustaining mechanism from direct ionization to stepwise ionization is found as a function of input power at 50 mTorr. In addition, a strong hysteresis of plasma density is predicted between the increasing and decreasing phases of the input power based on the stepwise ionization of Ar metastables in the ICP.

  9. Detection of sputtered metastable atoms by autoionization

    SciTech Connect

    Wucher, A.; Berthold, W.; Oechsner, H.; Franzreb, K.

    1994-03-01

    We report on a scheme for the detection of sputter-generated metastable atoms that is based on the resonant excitation of an autoionizing state by single-photon absorption from a tunable laser. Using this technique, sputtered silver atoms ejected in the metastable 4{ital d}{sup 9}5{ital s}{sup 2}{ital D}{sub 5/2} state with an excitation energy of 3.75 eV have been detected. This represents the highest excitation energy of sputtered metastable atoms observed so far.

  10. Nonequilibrium thermodynamics of spacetime.

    PubMed

    Eling, Christopher; Guedens, Raf; Jacobson, Ted

    2006-03-31

    It has previously been shown that the Einstein equation can be derived from the requirement that the Clausius relation dS=deltaQ/T hold for all local acceleration horizons through each spacetime point, where is one-quarter the horizon area change in Planck units and deltaQ and T are the energy flux across the horizon and the Unruh temperature seen by an accelerating observer just inside the horizon. Here we show that a curvature correction to the entropy that is polynomial in the Ricci scalar requires a nonequilibrium treatment. The corresponding field equation is derived from the entropy balance relation dS=deltaQ/T+diS, where diS is a bulk viscosity entropy production term that we determine by imposing energy-momentum conservation. Entropy production can also be included in pure Einstein theory by allowing for shear viscosity of the horizon.

  11. System-Size Effects in Metastability

    NASA Astrophysics Data System (ADS)

    Schulman, L. S.

    The following sections are included: * INTRODUCTION * CALCULATION OP PV(m), THE FINITE) SIZE PROBABILITY FOR FINDING MAGNETIZATION m * HEURISTICS OF PV(m) * DYNAMIC METASTABILITY * DISCUSSION * ACKNOWLEDGEMENTS * REFERENCES

  12. Modelling non-equilibrium secondary organic aerosol formation and evaporation with the aerosol dynamics, gas- and particle-phase chemistry kinetic multi-layer model ADCHAM

    NASA Astrophysics Data System (ADS)

    Roldin, P.; Eriksson, A. C.; Nordin, E. Z.; Hermansson, E.; Mogensen, D.; Rusanen, A.; Boy, M.; Swietlicki, E.; Svenningsson, B.; Zelenyuk, A.; Pagels, J.

    2014-01-01

    We have developed the novel Aerosol Dynamics, gas- and particle-phase chemistry model for laboratory CHAMber studies (ADCHAM). The model combines the detailed gas phase Master Chemical Mechanism version 3.2, an aerosol dynamics and particle phase chemistry module (which considers acid catalysed oligomerization, heterogeneous oxidation reactions in the particle phase and non-ideal interactions between organic compounds, water and inorganic ions) and a kinetic multilayer module for diffusion limited transport of compounds between the gas phase, particle surface and particle bulk phase. In this article we describe and use ADCHAM to study: (1) the mass transfer limited uptake of ammonia (NH3) and formation of organic salts between ammonium (NH4+) and carboxylic acids (RCOOH), (2) the slow and almost particle size independent evaporation of α-pinene secondary organic aerosol (SOA) particles, and (3) the influence of chamber wall effects on the observed SOA formation in smog chambers. ADCHAM is able to capture the observed α-pinene SOA mass increase in the presence of NH3(g). Organic salts of ammonium and carboxylic acids predominantly form during the early stage of SOA formation. These salts contribute substantially to the initial growth of the homogeneously nucleated particles. The model simulations of evaporating α-pinene SOA particles support the recent experimental findings that these particles have a semi-solid tar like amorphous phase state. ADCHAM is able to reproduce the main features of the observed slow evaporation rates if low-volatility and viscous oligomerized SOA material accumulates in the particle surface layer upon evaporation. The evaporation rate is mainly governed by the reversible decomposition of oligomers back to monomers. Finally, we demonstrate that the mass transfer limited uptake of condensable organic compounds onto wall deposited particles or directly onto the Teflon chamber walls of smog chambers can have profound influence on the

  13. Detecting vapour bubbles in simulations of metastable water

    SciTech Connect

    González, Miguel A.; Abascal, Jose L. F.; Valeriani, Chantal E-mail: cvaleriani@quim.ucm.es; Menzl, Georg; Geiger, Philipp; Dellago, Christoph E-mail: cvaleriani@quim.ucm.es; Aragones, Juan L.; Caupin, Frederic

    2014-11-14

    The investigation of cavitation in metastable liquids with molecular simulations requires an appropriate definition of the volume of the vapour bubble forming within the metastable liquid phase. Commonly used approaches for bubble detection exhibit two significant flaws: first, when applied to water they often identify the voids within the hydrogen bond network as bubbles thus masking the signature of emerging bubbles and, second, they lack thermodynamic consistency. Here, we present two grid-based methods, the M-method and the V-method, to detect bubbles in metastable water specifically designed to address these shortcomings. The M-method incorporates information about neighbouring grid cells to distinguish between liquid- and vapour-like cells, which allows for a very sensitive detection of small bubbles and high spatial resolution of the detected bubbles. The V-method is calibrated such that its estimates for the bubble volume correspond to the average change in system volume and are thus thermodynamically consistent. Both methods are computationally inexpensive such that they can be used in molecular dynamics and Monte Carlo simulations of cavitation. We illustrate them by computing the free energy barrier and the size of the critical bubble for cavitation in water at negative pressure.

  14. Detecting vapour bubbles in simulations of metastable water

    NASA Astrophysics Data System (ADS)

    González, Miguel A.; Menzl, Georg; Aragones, Juan L.; Geiger, Philipp; Caupin, Frederic; Abascal, Jose L. F.; Dellago, Christoph; Valeriani, Chantal

    2014-11-01

    The investigation of cavitation in metastable liquids with molecular simulations requires an appropriate definition of the volume of the vapour bubble forming within the metastable liquid phase. Commonly used approaches for bubble detection exhibit two significant flaws: first, when applied to water they often identify the voids within the hydrogen bond network as bubbles thus masking the signature of emerging bubbles and, second, they lack thermodynamic consistency. Here, we present two grid-based methods, the M-method and the V-method, to detect bubbles in metastable water specifically designed to address these shortcomings. The M-method incorporates information about neighbouring grid cells to distinguish between liquid- and vapour-like cells, which allows for a very sensitive detection of small bubbles and high spatial resolution of the detected bubbles. The V-method is calibrated such that its estimates for the bubble volume correspond to the average change in system volume and are thus thermodynamically consistent. Both methods are computationally inexpensive such that they can be used in molecular dynamics and Monte Carlo simulations of cavitation. We illustrate them by computing the free energy barrier and the size of the critical bubble for cavitation in water at negative pressure.

  15. Phase selection during crystallization of undercooled liquid eutectic lead-tin alloys

    NASA Technical Reports Server (NTRS)

    Fecht, H. J.

    1991-01-01

    During rapid solidification substantial amounts of undercooling are in general required for formation of metastable phases. Crystallization at varying levels of undercooling and melting of metastable phases were studied during slow cooling and heating of emulsified PB-Sn alloys. Besides the experimental demonstration of the reversibility of metastable phase equilibra, two different principal solidification paths have been identified and compared with the established metastable phase diagram and predictions from classical nucleation theory. The results suggest that the most probable solidification path is described by the 'step rule' resulting in the formation of metastable phases at low undercooling, whereas the stable eutectic phase mixture crystallizes without metastable phase formation at high undercooling.

  16. Control of switching between metastable superconducting states in δ-MoN nanowires

    PubMed Central

    Buh, Jože; Kabanov, Viktor; Baranov, Vladimir; Mrzel, Aleš; Kovič, Andrej; Mihailovic, Dragan

    2015-01-01

    The superconducting state in one-dimensional nanosystems is very delicate. While fluctuations of the phase of the superconducting wave function lead to the spontaneous decay of persistent supercurrents in thin superconducting wires and nanocircuits, discrete phase-slip fluctuations can also lead to more exotic phenomena, such as the appearance of metastable superconducting states in current-bearing wires. Here we show that switching between different metastable superconducting states in δ-MoN nanowires can be very effectively manipulated by introducing small amplitude electrical noise. Furthermore, we show that deterministic switching between metastable superconducting states with different numbers of phase-slip centres can be achieved in both directions with small electrical current pulse perturbations of appropriate polarity. The observed current-controlled bi-stability is in remarkable agreement with theoretically predicted trajectories of the system switching between different limit cycle solutions of a model one-dimensional superconductor. PMID:26687762

  17. Available Energy via Nonequilibrium Thermodynamics.

    ERIC Educational Resources Information Center

    Woollett, E. L.

    1979-01-01

    Presents basic relations involving the concept of available energy that are derived from the local equations of nonequilibrium thermodynamics. The equations and applications of the local thermodynamic equilibrium LTD model are also presented. (HM)

  18. Non-Equilibrium Molecular Dynamics

    NASA Astrophysics Data System (ADS)

    Ciccotti, Giovanni; Kapral, Raymond; Sergi, Alessandro

    Statistical mechanics provides a well-established link between microscopic equilibrium states and thermodynamics. If one considers systems out of equilibrium, the link between microscopic dynamical properties and non-equilibrium macroscopic states is more difficult to establish [1,2]. For systems lying near equilibrium, linear response theory provides a route to derive linear macroscopic laws and the microscopic expressions for the transport properties that enter the constitutive relations. If the system is displaced far from equilibrium, no fully general theory exists to treat such systems. By restricting consideration to a class of non-equilibrium states which arise from perturbations (linear or non-linear) of an equilibrium state, methods can be developed to treat non-equilibrium states. Furthermore, non-equilibrium molecular dynamics (NEMD) simulation methods can be devised to provide estimates for the transport properties of these systems.

  19. Modeling, Measurements, and Fundamental Database Development for Nonequilibrium Hypersonic Aerothermodynamics

    NASA Technical Reports Server (NTRS)

    Bose, Deepak

    2012-01-01

    The design of entry vehicles requires predictions of aerothermal environment during the hypersonic phase of their flight trajectories. These predictions are made using computational fluid dynamics (CFD) codes that often rely on physics and chemistry models of nonequilibrium processes. The primary processes of interest are gas phase chemistry, internal energy relaxation, electronic excitation, nonequilibrium emission and absorption of radiation, and gas-surface interaction leading to surface recession and catalytic recombination. NASAs Hypersonics Project is advancing the state-of-the-art in modeling of nonequilibrium phenomena by making detailed spectroscopic measurements in shock tube and arcjets, using ab-initio quantum mechanical techniques develop fundamental chemistry and spectroscopic databases, making fundamental measurements of finite-rate gas surface interactions, implementing of detailed mechanisms in the state-of-the-art CFD codes, The development of new models is based on validation with relevant experiments. We will present the latest developments and a roadmap for the technical areas mentioned above

  20. Modelling non-equilibrium secondary organic aerosol formation and evaporation with the aerosol dynamics, gas- and particle-phase chemistry kinetic multilayer model ADCHAM

    NASA Astrophysics Data System (ADS)

    Roldin, P.; Eriksson, A. C.; Nordin, E. Z.; Hermansson, E.; Mogensen, D.; Rusanen, A.; Boy, M.; Swietlicki, E.; Svenningsson, B.; Zelenyuk, A.; Pagels, J.

    2014-08-01

    We have developed the novel Aerosol Dynamics, gas- and particle-phase chemistry model for laboratory CHAMber studies (ADCHAM). The model combines the detailed gas-phase Master Chemical Mechanism version 3.2 (MCMv3.2), an aerosol dynamics and particle-phase chemistry module (which considers acid-catalysed oligomerization, heterogeneous oxidation reactions in the particle phase and non-ideal interactions between organic compounds, water and inorganic ions) and a kinetic multilayer module for diffusion-limited transport of compounds between the gas phase, particle surface and particle bulk phase. In this article we describe and use ADCHAM to study (1) the evaporation of liquid dioctyl phthalate (DOP) particles, (2) the slow and almost particle-size-independent evaporation of α-pinene ozonolysis secondary organic aerosol (SOA) particles, (3) the mass-transfer-limited uptake of ammonia (NH3) and formation of organic salts between ammonium (NH4+) and carboxylic acids (RCOOH), and (4) the influence of chamber wall effects on the observed SOA formation in smog chambers. ADCHAM is able to capture the observed α-pinene SOA mass increase in the presence of NH3(g). Organic salts of ammonium and carboxylic acids predominantly form during the early stage of SOA formation. In the smog chamber experiments, these salts contribute substantially to the initial growth of the homogeneously nucleated particles. The model simulations of evaporating α-pinene SOA particles support the recent experimental findings that these particles have a semi-solid tar-like amorphous-phase state. ADCHAM is able to reproduce the main features of the observed slow evaporation rates if the concentration of low-volatility and viscous oligomerized SOA material at the particle surface increases upon evaporation. The evaporation rate is mainly governed by the reversible decomposition of oligomers back to monomers. Finally, we demonstrate that the mass-transfer-limited uptake of condensable organic compounds

  1. Are metastable, precrystallisation, density-fluctuations a universal phenomena?

    PubMed

    Heeley, Ellen L; Poh, C Kit; Li, Wu; Maidens, Anna; Bras, Wim; Dolbnya, Igor P; Gleeson, Anthony J; Terrill, Nicolas J; Fairclough, J Patrick A; Olmsted, Peter D; Ristic, Rile I; Hounslow, Micheal J; Ryan, Anthony J

    2003-01-01

    In-situ observations of crystallisation in minerals and organic polymers have been made by simultaneous, time-resolved small angle X-ray scattering (SAXS) and wide angle X-ray scattering (WAXS) techniques. In isotactic polypropylene slow quiescent crystallisation shows the onset of large scale ordering prior to crystal growth. Rapid crystallisations studied by melt extrusion indicate the development of well resolved oriented SAXS patterns associated with long range order before the development of crystalline peaks in the WAXS region. Block copolymers self-assemble into mesophases in polymer melts above a critical chain length (or above a critical temperature) and this self-assembly process is shown to be susceptible to an incipient crystallisation. Mesophase formation is observed at anomalously high temperatures in ethylene-oxide containing block copolymers below the normal melting point of the polyoxy ethylene chains. Formation of calcium carbonate from aqueous solutions of sodium carbonate and calcium nitrate is observed to be a two-stage process and precipitation proceeds by the production of an amorphous metastable phase. This phase grows until it is volume filling and leads to the formation of the two polymorphs Calcite and Vaterite. These three sets of results suggest pre-nucleation density fluctuations, leading to a metastable phase, play an integral role in all three classes of crystallisation. In due course, this phase undergoes transformation to "normal" crystals.

  2. A new synthetic route to MgO-MgAl2O4-ZrO2 highly dispersed composite material through formation of Mg5Al2.4Zr1.7O12 metastable phase: synthesis and physical properties

    NASA Astrophysics Data System (ADS)

    Jiang, Peng; Yin, Guo-xiang; Yan, Ming-wei; Sun, Jia-lin; Li, Bin; Li, Yong

    2017-03-01

    Mg5Al2.4Zr1.7O12 metastable phase was successfully synthesized from analytical-grade MgO, α-Al2O3, MgAl2O4, and ZrO2 under an N2 atmosphere. The sintering temperature was varied from 1650 to 1780°C, and the highest amount of Mg5Al2.4Zr1.7O12 appeared in the composite material when the sintering temperature was 1760°C. According to our research of the formation mechanism of Mg5Al2.4Zr1.7O12, the formation and growth of MgAl2O4 dominated when the temperature was not higher than 1650°C. When the temperature was higher than 1650°C, MgO and ZrO2 tended to diffuse into MgAl2O4 and the Mg5Al2.4Zr1.7O12 solid solution was formed. When the temperature reached 1760°C, the formation of Mg5Al2.4Zr1.7O12 was completed. The effect of MgAl2O4 spinel crystals was also studied, and their introduction into the composite material promoted the formation and growth of Mg5Al2.4Zr1.7O12. A highly dispersed MgO-MgAl2O4-ZrO2 composite material was prepared through the decomposition of the Mg5Al2.4Zr1.7O12 metastable phase. The as-prepared composite material showed improved overall physical properties because of the good dispersion of MgO, MgAl2O4, and ZrO2 phases.

  3. Formation of metastable tetragonal zirconia nanoparticles: Competitive influence of the dopants and surface state

    SciTech Connect

    Gorban, Oksana; Synyakina, Susanna; Volkova, Galina; Gorban, Sergey; Konstantiova, Tetyana; Lyubchik, Svetlana

    2015-12-15

    The effect of the surface modification of the nanoparticles of amorphous and crystalline partially stabilized zirconia by fluoride ions on stability of the metastable tetragonal phase was investigated. Based on the DSC, titrimetry and FTIR spectroscopy data it was proven that surface modification of the xerogel resulted from an exchange of the fluoride ions with the basic OH groups. The effect of the powder pre-calcination temperature before modification on the formation of metastable tetragonal phase in partially stabilized zirconia was investigated. It was shown that the main factor of tetragonal zirconia stabilization is the state of nanoparticles surface at pre-crystallization temperatures.

  4. Solubility measurement of a metastable achiral crystal of sodium chlorate in solution growth

    NASA Astrophysics Data System (ADS)

    Niinomi, Hiromasa; Horio, Atsushi; Harada, Shunta; Ujihara, Toru; Miura, Hitoshi; Kimura, Yuki; Tsukamoto, Katsuo

    2014-05-01

    The solubility of the metastable achiral monoclinic phase in NaClO3 crystallization from an aqueous solution, which appears prior to the nucleation of chiral crystals, was successfully measured in the range from 10 °C to 23 °C. Antisolvent crystallization method was used to obtain metastable crystals for the measurement. The solubility was determined to be about 1.6 times higher than that of the chiral stable cubic phase by observing growth or dissolution of the crystal in aqueous solution at the temperature and concentration of which is predetermined.

  5. 3.6 AND 4.5 {mu}m PHASE CURVES AND EVIDENCE FOR NON-EQUILIBRIUM CHEMISTRY IN THE ATMOSPHERE OF EXTRASOLAR PLANET HD 189733b

    SciTech Connect

    Knutson, Heather A.; Lewis, Nikole; Showman, Adam P.; Fortney, Jonathan J.; Laughlin, Gregory; Burrows, Adam; Cowan, Nicolas B.; Agol, Eric; Aigrain, Suzanne; Charbonneau, David; Desert, Jean-Michel; Deming, Drake; Henry, Gregory W.; Langton, Jonathan

    2012-07-20

    We present new, full-orbit observations of the infrared phase variations of the canonical hot Jupiter HD 189733b obtained in the 3.6 and 4.5 {mu}m bands using the Spitzer Space Telescope. When combined with previous phase curve observations at 8.0 and 24 {mu}m, these data allow us to characterize the exoplanet's emission spectrum as a function of planetary longitude and to search for local variations in its vertical thermal profile and atmospheric composition. We utilize an improved method for removing the effects of intrapixel sensitivity variations and robustly extracting phase curve signals from these data, and we calculate our best-fit parameters and uncertainties using a wavelet-based Markov Chain Monte Carlo analysis that accounts for the presence of time-correlated noise in our data. We measure a phase curve amplitude of 0.1242% {+-} 0.0061% in the 3.6 {mu}m band and 0.0982% {+-} 0.0089% in the 4.5 {mu}m band, corresponding to brightness temperature contrasts of 503 {+-} 21 K and 264 {+-} 24 K, respectively. We find that the times of minimum and maximum flux occur several hours earlier than predicted for an atmosphere in radiative equilibrium, consistent with the eastward advection of gas by an equatorial super-rotating jet. The locations of the flux minima in our new data differ from our previous observations at 8 {mu}m, and we present new evidence indicating that the flux minimum observed in the 8 {mu}m is likely caused by an overshooting effect in the 8 {mu}m array. We obtain improved estimates for HD 189733b's dayside planet-star flux ratio of 0.1466% {+-} 0.0040% in the 3.6 {mu}m band and 0.1787% {+-} 0.0038% in the 4.5 {mu}m band, corresponding to brightness temperatures of 1328 {+-} 11 K and 1192 {+-} 9 K, respectively; these are the most accurate secondary eclipse depths obtained to date for an extrasolar planet. We compare our new dayside and nightside spectra for HD 189733b to the predictions of one-dimensional radiative transfer models from

  6. Structural studies of several distinct metastable forms of amorphous ice.

    PubMed

    Tulk, C A; Benmore, C J; Urquidi, J; Klug, D D; Neuefeind, J; Tomberli, B; Egelstaff, P A

    2002-08-23

    Structural changes during annealing of high-density amorphous ice were studied with both neutron and x-ray diffraction. The first diffraction peak was followed from the high- to the low-density amorphous form. Changes were observed to occur through a series of intermediate forms that appear to be metastable at each anneal temperature. Five distinct amorphous forms were studied with neutron scattering, and many more forms may be possible. Radial distribution functions indicate that the structure evolves systematically between 4 and 8 angstroms. The phase transformations in low-temperature liquid water may be much more complex than currently understood.

  7. Nonequilibrium fluctuation-dissipation inequality and nonequilibrium uncertainty principle.

    PubMed

    Fleming, C H; Hu, B L; Roura, Albert

    2013-07-01

    The fluctuation-dissipation relation is usually formulated for a system interacting with a heat bath at finite temperature, and often in the context of linear response theory, where only small deviations from the mean are considered. We show that for an open quantum system interacting with a nonequilibrium environment, where temperature is no longer a valid notion, a fluctuation-dissipation inequality exists. Instead of being proportional, quantum fluctuations are bounded below by quantum dissipation, whereas classically the fluctuations vanish at zero temperature. The lower bound of this inequality is exactly satisfied by (zero-temperature) quantum noise and is in accord with the Heisenberg uncertainty principle, in both its microscopic origins and its influence upon systems. Moreover, it is shown that there is a coupling-dependent nonequilibrium fluctuation-dissipation relation that determines the nonequilibrium uncertainty relation of linear systems in the weak-damping limit.

  8. Carbon vaporization into a nonequilibrium, stagnation-point boundary layer

    NASA Technical Reports Server (NTRS)

    Suzuki, T.

    1978-01-01

    The heat transfer to the stagnation point of an ablating carbonaceous heat shield, where both the gas-phase boundary layer and the heterogeneous surface reactions are not in chemical equilibrium, is examined. Specifically, the nonequilibrium changes in the mass fraction profiles of carbon species calculated for frozen flow are studied. A set of equations describing the steady-state, nonequilibrium laminar boundary layer in the axisymmetric stagnation region, over an ablating graphite surface, is solved, with allowance for the effects of finite rate of carbon vaporization.

  9. Detailed balance, nonequilibrium states, and dissipation in symbolic sequences

    NASA Astrophysics Data System (ADS)

    Nicolis, G.; Nicolis, C.

    2016-05-01

    Symbolic sequences arising from the coarse graining of deterministic dynamical systems continuous in phase space are considered. The extent to which signatures of the time irreversibility and of the nonequilibrium constraints at the level of the original system, such as fluxes or dissipation, can be identified at the coarse-grained level is analyzed. The roles of the partition, of the time window, and of time averaging in distinguishing in a clear-cut way the equilibrium versus nonequilibrium character of the sequence are brought out.

  10. Multistability with a Metastable Mixed State

    NASA Astrophysics Data System (ADS)

    Sneppen, Kim; Mitarai, Namiko

    2012-09-01

    Complex dynamical systems often show multiple metastable states. In macroevolution, such behavior is suggested by punctuated equilibrium and discrete geological epochs. In molecular biology, bistability is found in epigenetics and in the many mutually exclusive states that a human cell can take. Sociopolitical systems can be single-party regimes or a pluralism of balancing political fractions. To introduce multistability, we suggest a model system of D mutually exclusive microstates that battle for dominance in a large system. Assuming one common intermediate state, we obtain D+1 metastable macrostates for the system, one of which is a self-reinforced mixture of all D+1 microstates. Robustness of this metastable mixed state increases with diversity D.

  11. Metastable Detection Using Cold Solid Matrices

    NASA Astrophysics Data System (ADS)

    McConkey, William; Kedzierski, Wladek; Alsaiari, Fatimah

    2016-05-01

    Metastable particles produced in the interaction of electrons of carefully controlled energy with thermal gaseous target beams in a crossed beam set-up have been studied in the energy range from threshold to 300 eV. The e-beam is pulsed and the metastables produced drift to a solid nitrogen or rare gas detector held at 10 K. Here they form excimers which immediately radiate. The resultant photons are detected using a photomultiplier-filter combination. Time-of-flight techniques are used to separate these photons from prompt photons produced in the initial electron collision. With N2 as both target and detection matrix, the excimer emission is strongest in the green but still significant in the red spectral region. Excitation functions will be presented together with threshold measurements. These help to identify the metastable states being observed and the excitation mechanisms which are responsible. The authors thank NSERC and CFI (Canada) for financial support.

  12. On Typicality in Nonequilibrium Steady States

    NASA Astrophysics Data System (ADS)

    Evans, Denis J.; Williams, Stephen R.; Searles, Debra J.; Rondoni, Lamberto

    2016-08-01

    From the statistical mechanical viewpoint, relaxation of macroscopic systems and response theory rest on a notion of typicality, according to which the behavior of single macroscopic objects is given by appropriate ensembles: ensemble averages of observable quantities represent the measurements performed on single objects, because " almost all" objects share the same fate. In the case of non-dissipative dynamics and relaxation toward equilibrium states, " almost all" is referred to invariant probability distributions that are absolutely continuous with respect to the Lebesgue measure. In other words, the collection of initial micro-states (single systems) that do not follow the ensemble is supposed to constitute a set of vanishing, phase space volume. This approach is problematic in the case of dissipative dynamics and relaxation to nonequilibrium steady states, because the relevant invariant distributions attribute probability 1 to sets of zero volume, while evolution commonly begins in equilibrium states, i.e., in sets of full phase space volume. We consider the relaxation of classical, thermostatted particle systems to nonequilibrium steady states. We show that the dynamical condition known as Ω T-mixing is necessary and sufficient for relaxation of ensemble averages to steady state values. Moreover, we find that the condition known as weak T-mixing applied to smooth observables is sufficient for ensemble relaxation to be independent of the initial ensemble. Lastly, we show that weak T-mixing provides a notion of typicality for dissipative dynamics that is based on the (non-invariant) Lebesgue measure, and that we call physical ergodicity.

  13. Crystal Structures and 35Cl NQR Spectra of the Metastable and the Stable Phase of Guanidinium bis-Monochloroacetate, [C(NH2)3 ]⊕[(ClH2C)COOH ••• OOC(CH2Cl)l⊖

    NASA Astrophysics Data System (ADS)

    Basaran, Reha; Dou, Shi-qi; Weiss, Alarich

    1993-03-01

    From acid aqueous solutions of guanidinium carbonate and monochloroacetic acid, (ClH2C)COOH :H2 NC( = NH)NH2 ≧ 2.5, the compound [C(NH2)3]⊕ [(ClH2C)COOH • • • OOC(CH2Cl)]⊖ crystallizes with the space group Ci1P1¯,Z = 4, a = 1147.4 (5) pm, b= 1113.2 (5) pm, c = 876.5 (4) pm, α = 88.66 (2)°, β = 80.31 (2)°, γ = 84.41 (2)° (metastable phase I). Cooled to 77 K once, phase I transforms at room temperature slowly into the stable phase II, orthorhombic, D2h15 - Pbca, Z = 8, a= 1299.2 (4) pm, b= 1533.7 (4) pm, c= 1073.9 (3) pm. The crystal structure determinations show for both phases an ionic lattice with guanidinium cations [C(NH2)3]⊕ and acid bis-(monochloroacetate) anions [(ClH2C)COOH • • • OOC(CH2Cl)]⊖ in which a monochloroacetic acid molecule and a monochloroacetate ion are bound to the dimer anion by an asymmetric hydrogen bond O-H • • • O. A strong crystal field effect, much dependent on temperature, is observed in the 35Cl NQR quadruplet spectrum of phase I, with a frequency spread of ≈4 MHz at 300 K, whereas in phase II the frequency splitting of the observed 35Cl NQR doublet is almost constant between 77 K and 310 K, about 700 kHz. The phase transition I → II is very sluggish and unidirectional. The transition II → I needs the recrystallization of II from water. Structure and dynamics of the two solid phases are discussed.

  14. Polymorphism, mesomorphism, and metastability of monoelaidin in excess water.

    PubMed Central

    Chung, H; Caffrey, M

    1995-01-01

    The polymorphic and metastable phase behavior of monoelaidin dry and in excess water was studied by using high-sensitivity differential scanning calorimetry and time-resolved x-ray diffraction in the temperature range of 4 degrees C to 60 degrees C. To overcome problems associated with a pronounced thermal history-dependent phase behavior, simultaneous calorimetry and time-resolved x-ray diffraction measurements were performed on individual samples. Monoelaidin/water samples were prepared at room temperature and stored at 4 degrees C for up to 1 week before measurement. The initial heating scan from 4 degrees C to 60 degrees C showed complex phase behavior with the sample in the lamellar crystalline (Lc0) and cubic (Im3m, Q229) phases at low and high temperatures, respectively. The Lc0 phase transforms to the lamellar liquid crystalline (L alpha) phase at 38 degrees C. At 45 degrees C, multiple unresolved lines appeared that coexisted with those from the L alpha phase in the low-angle region of the diffraction pattern that have been assigned previously to the so-called X phase (Caffrey, 1987, 1989). With further heating the X phase converts to the Im3m cubic phase. Regardless of previous thermal history, cooling calorimetric scans revealed a single exotherm at 22 degrees C, which was assigned to an L alpha+cubic (Im3m, Q229)-to-lamellar gel (L beta) phase transition. The response of the sample to a cooling followed by a reheating or isothermal protocol depended on the length of time the sample was incubated at 4 degrees C. A model is proposed that reconciles the complex polymorphic, mesomorphic, and metastability interrelationships observed with this lipid/water system. Dry monoelaidin exists in the lamellar crystalline (beta) phase in the 4 degrees C to 45 degrees C range. The beta phase transforms to a second lamellar crystalline polymorph identified as beta* at 45 degrees C that subsequently melts at 57 degrees C. The beta phase observed with dry monoelaidin is

  15. Nonequilibrium quantum dynamics and transport: from integrability to many-body localization

    NASA Astrophysics Data System (ADS)

    Vasseur, Romain; Moore, Joel E.

    2016-06-01

    We review the non-equilibrium dynamics of many-body quantum systems after a quantum quench with spatial inhomogeneities, either in the Hamiltonian or in the initial state. We focus on integrable and many-body localized systems that fail to self-thermalize in isolation and for which the standard hydrodynamical picture breaks down. The emphasis is on universal dynamics, non-equilibrium steady states and new dynamical phases of matter, and on phase transitions far from thermal equilibrium. We describe how the infinite number of conservation laws of integrable and many-body localized systems lead to complex non-equilibrium states beyond the traditional dogma of statistical mechanics.

  16. Nonequilibrium stationary states and entropy.

    PubMed

    Gallavotti, G; Cohen, E G D

    2004-03-01

    In transformations between nonequilibrium stationary states, entropy might not be a well defined concept. It might be analogous to the "heat content" in transformations in equilibrium which is not well defined either, if they are not isochoric (i.e., do involve mechanical work). Hence we conjecture that in a nonequilibrium stationary state the entropy is just a quantity that can be transferred or created, such as heat in equilibrium, but has no physical meaning as "entropy content" as a property of the system.

  17. Nonequilibrium detonation of composite explosives

    SciTech Connect

    Nichols III, A.L.

    1997-07-01

    The effect of nonequilibrium diffusional flow on detonation velocities in composite explosives is examined. Detonation conditions are derived for complete equilibrium, temperature and pressure equilibrium, and two forms of pressure equilibrium. Partial equilibria are associated with systems which have not had sufficient time for transport to smooth out the gradients between spatially separate regions. The nonequilibrium detonation conditions are implemented in the CHEQ equation of state code. We show that the detonation velocity decreases as the non-chemical degrees of freedom of the explosive are allowed to equilibrate. It is only when the chemical degrees of freedom are allowed to equilibrate that the detonation velocity increases.

  18. Jarzynski matrix equality: Calculating the free-energy difference by nonequilibrium simulations with an arbitrary initial distribution.

    PubMed

    Wan, Biao; Yang, Cheng; Wang, Yanting; Zhou, Xin

    2016-04-01

    The Jarzynski equality (JE) method, which relates the work of a nonequilibrium process to the free-energy difference between its initial and final states, provides an efficient way to calculate free energies of thermodynamic systems in simulations or experiments. However, more extensive applications of the JE are hindered by the requirement that the initial state must be in equilibrium. In this work we extend the JE method to be the Jarzynski matrix equality (JME) method, which relates the work of trajectories connecting metastable conformational regions to their local free energies, and thus we can estimate the free energy from the nonequilibrium trajectories starting from an almost arbitrary initial distribution. We then apply the JME to toy models, Lennard-Jones fluids, and polymer chain models, demonstrating its efficiency in free-energy calculations with satisfactory accuracy. The JME extends the applicability of the nonequilibrium methods to complex systems whose initial equilibrium states are difficult to reach.

  19. Multi-metastable states induced by the optical pump-probe process in terahertz quantum cascade lasers

    SciTech Connect

    Wang, F.; Guo, X. G. Wang, C.; Cao, J. C.

    2014-07-14

    The optical pump-probe process in terahertz quantum cascade lasers is studied theoretically by using the open system simulation method. The emitter injection is considered and the charge neutrality in the active region is broken. We find that nonequilibrium oscillations may appear in the recovery processes. In particular, the formation of different equilibrium values of the population change after the periodic pulse pumping is observed clearly. Here, the phenomenon of multi-metastable states stems from the electron regulation by the emitter injection. Finally, we discuss the important impacts of the equilibrium stabilization time and obtain an in-depth understanding of the emitter injection.

  20. Reheating Metastable O'Raifeartaigh Models

    SciTech Connect

    Craig, Nathaniel J.; Fox, Patrick J.; Wacker, Jay G.; /SLAC /Stanford U., ITP

    2006-12-13

    In theories with multiple vacua, reheating to a temperature greater than the height of a barrier can stimulate transitions from a desirable metastable vacuum to a lower energy state. We discuss the constraints this places on various theories and demonstrate that in a class of supersymmetric models this transition does not occur even for arbitrarily high reheating temperature.

  1. Symplectic integration approach for metastable systems

    NASA Astrophysics Data System (ADS)

    Klotins, E.

    2006-03-01

    Nonadiabatic behavior of metastable systems modeled by anharmonic Hamiltonians is reproduced by the Fokker-Planck and imaginary time Schrödinger equation scheme with subsequent symplectic integration. Example solutions capture ergodicity breaking, reassure the H-theorem of global stability [M. Shiino, Phys. Rev. A 36, 2393 (1987)], and reproduce spatially extended response under alternate source fields.

  2. Chaotic dynamics, fluctuations, nonequilibrium ensembles.

    PubMed

    Gallavotti, Giovanni

    1998-06-01

    The ideas and the conceptual steps leading from the ergodic hypothesis for equilibrium statistical mechanics to the chaotic hypothesis for equilibrium and nonequilibrium statistical mechanics are illustrated. The fluctuation theorem linear law and universal slope prediction for reversible systems is briefly derived. Applications to fluids are briefly alluded to. (c) 1998 American Institute of Physics.

  3. Non-equilibrium supramolecular polymerization.

    PubMed

    Sorrenti, Alessandro; Leira-Iglesias, Jorge; Markvoort, Albert J; de Greef, Tom F A; Hermans, Thomas M

    2017-03-28

    Supramolecular polymerization has been traditionally focused on the thermodynamic equilibrium state, where one-dimensional assemblies reside at the global minimum of the Gibbs free energy. The pathway and rate to reach the equilibrium state are irrelevant, and the resulting assemblies remain unchanged over time. In the past decade, the focus has shifted to kinetically trapped (non-dissipative non-equilibrium) structures that heavily depend on the method of preparation (i.e., pathway complexity), and where the assembly rates are of key importance. Kinetic models have greatly improved our understanding of competing pathways, and shown how to steer supramolecular polymerization in the desired direction (i.e., pathway selection). The most recent innovation in the field relies on energy or mass input that is dissipated to keep the system away from the thermodynamic equilibrium (or from other non-dissipative states). This tutorial review aims to provide the reader with a set of tools to identify different types of self-assembled states that have been explored so far. In particular, we aim to clarify the often unclear use of the term "non-equilibrium self-assembly" by subdividing systems into dissipative, and non-dissipative non-equilibrium states. Examples are given for each of the states, with a focus on non-dissipative non-equilibrium states found in one-dimensional supramolecular polymerization.

  4. Nonequilibrium Phase Transitions Associated with DNA Replication

    DTIC Science & Technology

    2011-02-11

    the population dynamics of competing molecules? Such a population exists as a quasispecies , a cloud of variable genotypes surrounding a master sequence...tance dij (the number of nucleotides that are different). The more common form of the quasispecies dynamics can be derived from xi ¼ ni=N, where N ¼ P...below the threshold, on the other hand, Lr > v and the population enhances its collective growth rate by maintaining the quasispecies peaked near

  5. Metastable sound speed in gas-liquid mixtures

    NASA Technical Reports Server (NTRS)

    Bursik, J. W.; Hall, R. M.

    1979-01-01

    A new method of calculating speed of sound for two-phase flow is presented. The new equation assumes no phase change during the propagation of an acoustic disturbance and assumes that only the total entropy of the mixture remains constant during the process. The new equation predicts single-phase values for the speed of sound in the limit of all gas or all liquid and agrees with available two-phase, air-water sound speed data. Other expressions used in the two-phase flow literature for calculating two-phase, metastable sound speed are reviewed and discussed. Comparisons are made between the new expression and several of the previous expressions -- most notably a triply isentropic equation as used, a triply isentropic equation as used, among others, by Karplus and by Wallis. Appropriate differences are pointed out and a thermodynamic criterion is derived which must be satisfied in order for the triply isentropic expression to be thermodynamically consistent. This criterion is not satisfied for the cases examined, which included two-phase nitrogen, air-water, two-phase parahydrogen, and steam-water. Consequently, the new equation derived is found to be superior to the other equations reviewed.

  6. Metastable nanosized aluminum powder as a reactant in energetic formulations

    SciTech Connect

    Katz, J.; Tepper, F.; Ivanov, G.V.; Lerner, M.I.; Davidovich, V.

    1998-12-01

    Aluminum powder is an important ingredient in many propellant, explosives and pyrotechnic applications. The production of nanosized aluminum powder by the electroexplosion of metal wire has been practices in the former USSR since the mid 1970`s. Differential scanning calorimetry, differential thermal analysis and x-ray phase analysis was performed on aluminum powder both before and after air passivation, as well as aluminum that was protected under kerosene, pentane, toluene and hexane. Earlier Soviet reports of unexplained thermal releases and metastable behavior have been investigated. Anomalous behavior previously reported included phase transformations at temperatures far below melting with the release of heat and chemoluminescence and self sintering of particles with a heat release large enough to melt the powders.

  7. Two-color magneto-optical trap for metastable helium

    SciTech Connect

    Tychkov, A.S.; Koelemeij, J.C.J.; Jeltes, T.; Hogervorst, W.; Vassen, W.

    2004-05-01

    We describe a powerful scheme which combines laser cooling on two transitions of metastable helium to obtain a high phase-space density. By running a sequence of a large 1083 nm magneto-optical trap (MOT) and a compressed 389 nm MOT, a density increase of more than one order of magnitude is achieved within 5 ms. After compression, 8x10{sup 8} atoms at a central density of 5x10{sup 10} cm{sup -3} remain, while the temperature of the cloud has been reduced from 1 mK to 0.4 mK. The resulting phase-space density (4.1x10{sup -6}) is more than one order of magnitude higher than what we achieved by 1083 nm laser cooling only.

  8. Investigating the Metastability of Clathrate Hydrates for Energy Storage

    SciTech Connect

    Koh, Carolyn Ann

    2014-11-18

    Important breakthrough discoveries have been achieved from the DOE award on the key processes controlling the synthesis and structure-property relations of clathrate hydrates, which are critical to the development of clathrate hydrates as energy storage materials. Key achievements include: (i) the discovery of key clathrate hydrate building blocks (stable and metastable) leading to clathrate hydrate nucleation and growth; (ii) development of a rapid clathrate hydrate synthesis route via a seeding mechanism; (iii) synthesis-structure relations of H2 + CH4/CO2 binary hydrates to control thermodynamic requirements for energy storage and sequestration applications; (iv) discovery of a new metastable phase present during clathrate hydrate structural transitions. The success of our research to-date is demonstrated by the significant papers we have published in high impact journals, including Science, Angewandte Chemie, J. Am. Chem. Soc. Intellectual Merits of Project Accomplishments: The intellectual merits of the project accomplishments are significant and transformative, in which the fundamental coupled computational and experimental program has provided new and critical understanding on the key processes controlling the nucleation, growth, and thermodynamics of clathrate hydrates containing hydrogen, methane, carbon dioxide, and other guest molecules for energy storage. Key examples of the intellectual merits of the accomplishments include: the first discovery of the nucleation pathways and dominant stable and metastable structures leading to clathrate hydrate formation; the discovery and experimental confirmation of new metastable clathrate hydrate structures; the development of new synthesis methods for controlling clathrate hydrate formation and enclathration of molecular hydrogen. Broader Impacts of Project Accomplishments: The molecular investigations performed in this project on the synthesis (nucleation & growth)-structure-stability relations of clathrate

  9. Short-range Ising spin glasses: The metastate interpretation of replica symmetry breaking

    NASA Astrophysics Data System (ADS)

    Read, N.

    2014-09-01

    Parisi's formal replica-symmetry-breaking (RSB) scheme for mean-field spin glasses has long been interpreted in terms of many pure states organized ultrametrically. However, the early version of this interpretation, as applied to the short-range Edwards-Anderson model, runs into problems because as shown by Newman and Stein (NS) it does not allow for chaotic size dependence, and predicts non-self-averaging that cannot occur. NS proposed the concept of the metastate (a probability distribution over infinite-size Gibbs states in a given sample that captures the effects of chaotic size dependence) and a nonstandard interpretation of the RSB results in which the metastate is nontrivial and is responsible for what was called non-self-averaging. In this picture, each state drawn from the metastate has the ultrametric properties of the old theory, but when the state is averaged using the metastate, the resulting mixed state has little structure. This picture was constructed so as to agree both with the earlier RSB results and with rigorous results. Here we use the effective field theory of RSB, in conjunction with the rigorous definitions of pure states and the metastate in infinite-size systems, to show that the nonstandard picture follows directly from the RSB mean-field theory. In addition, the metastate-averaged state possesses power-law correlations throughout the low-temperature phase; the corresponding exponent ζ takes the value 4 according to the field theory in high dimensions d, and describes the effective fractal dimension of clusters of spins. Further, the logarithm of the number of pure states in the decomposition of the metastate-averaged state that can be distinguished if only correlations in a window of size W can be observed is of order Wd -ζ. These results extend the nonstandard picture quantitatively; we show that arguments against this scenario are inconclusive. More generally, in terms of Parisi's function q (x), if q(0)≠∫01dxq(x ), then the

  10. Metastable Lennard-Jones fluids. II. Thermal conductivity.

    PubMed

    Baidakov, Vladimir G; Protsenko, Sergey P

    2014-06-07

    The method of equilibrium molecular dynamics with the use of the Green-Kubo formalism has been used to calculate the thermal conductivity λ in stable and metastable regions of a Lennard-Jones fluid. Calculations have been made in the range of reduced temperatures 0.4 ≤ T* = k(b)T/ε ≤ 2.0 and densities 0.01 ≤ ρ* = ρσ³ ≤ 1.2 on 15 isotherms for 234 states, 130 of which refer to metastable regions: superheated and supercooled liquids, supersaturated vapor. Equations have been built up which describe the dependence of the regular part of the thermal conductivity on temperature and density, and also on temperature and pressure. It has been found that in (p, T) variables in the region of a liquid-gas phase transition a family of lines of constant value of excess thermal conductivity Δλ = λ - λ0, where λ0 is the thermal conductivity of a dilute gas, has an envelope which coincides with the spinodal. Thus, at the approach to the spinodal of a superheated liquid and supersaturated vapor (∂Δλ/∂p)T → ∞, (∂Δλ/∂T)p → ∞.

  11. Magnetic properties of Co-Cu metastable solid solution alloys

    NASA Astrophysics Data System (ADS)

    Fan, Xu; Mashimo, Tsutomu; Huang, Xinsheng; Kagayama, Tomoko; Chiba, Akira; Koyama, Keiichi; Motokawa, Mitsuhiro

    2004-03-01

    Metastable solid solution alloy powders and bulk alloys in the cobalt(Co)-copper(Cu) (10 90 mol % Co) system, which is an almost immiscible system at the ambient state, were prepared by mechanical alloying (MA) and shock compression. All MA-treated powders showed the x-ray diffraction patterns of a single phase of fcc structure. The lattice parameter increases with Cu concentration and is fundamentally on the line with Vegard’s law. The magnetization curves of CoxCu100-x (x=20 80) metastable bulk alloys at room temperature showed ferromagnetism, while the one of Co10Cu90 system showed paramagnetism. The saturation magnetic moment (Ms) curve versus electron numbers per atom at 0 K was found to be similar to the Slater-Pauling curves of other transition-metal binary systems and decreased with increasing Cu concentration and approached zero at about 28.8 electrons per atom. The magnetoresistance ratio at room temperature increased with Cu content in the ferromagnetic region, while the one of the paramagnetic Co10Cu90 alloy was negligibly small.

  12. Supercooled water escaping from metastability

    PubMed Central

    Aliotta, Francesco; Giaquinta, Paolo V.; Ponterio, Rosina C.; Prestipino, Santi; Saija, Franz; Salvato, Gabriele; Vasi, Cirino

    2014-01-01

    The return of supercooled water to a stable equilibrium condition is an irreversible process which, in large enough samples, takes place adiabatically. We investigated this phenomenon in water by fast imaging techniques. As water freezes, large energy and density fluctuations promote the spatial coexistence of solid and liquid phases at different temperatures. Upon synchronously monitoring the time evolution of the local temperature, we observed a sharp dynamic transition between a fast and a slow decay regime at about 266.6 K. We construe the observed phenomenon in terms of the temperature dependence of heat transfers from solid and liquid volumes already at their bulk coexistence temperature towards adjacent still supercooled liquid regions. These findings can be justified by observing that convective motions induced by thermal gradients in a supercooled liquid near coexistence are rapidly suppressed as the nucleated solid fraction overcomes, at low enough temperatures, a characteristic percolation threshold. PMID:25427603

  13. Supercooled water escaping from metastability

    NASA Astrophysics Data System (ADS)

    Aliotta, Francesco; Giaquinta, Paolo V.; Ponterio, Rosina C.; Prestipino, Santi; Saija, Franz; Salvato, Gabriele; Vasi, Cirino

    2014-11-01

    The return of supercooled water to a stable equilibrium condition is an irreversible process which, in large enough samples, takes place adiabatically. We investigated this phenomenon in water by fast imaging techniques. As water freezes, large energy and density fluctuations promote the spatial coexistence of solid and liquid phases at different temperatures. Upon synchronously monitoring the time evolution of the local temperature, we observed a sharp dynamic transition between a fast and a slow decay regime at about 266.6 K. We construe the observed phenomenon in terms of the temperature dependence of heat transfers from solid and liquid volumes already at their bulk coexistence temperature towards adjacent still supercooled liquid regions. These findings can be justified by observing that convective motions induced by thermal gradients in a supercooled liquid near coexistence are rapidly suppressed as the nucleated solid fraction overcomes, at low enough temperatures, a characteristic percolation threshold.

  14. Stabilization of a Metastable Fibrous Bi21.2(1)(Mn1–xCox )20 Phase with Pseudo-Pentagonal Symmetry Prepared Using a Bi Self-Flux

    SciTech Connect

    Thimmaiah, Srinivasa; Taufour, Valentin; Saunders, Scott; March, Stephen; Zhang, Yuemei; Kramer, Matthew J.; Canfield, Paul C.; Miller, Gordon J.

    2016-11-15

    Bi21.2(1)(Mn1–xCox )20 is a new metastable phase which is synthesized via Bi self-flux, adopts a highly fibrous morpholo-gy, and decomposes endothermically near 168 °C. It crystallizes in the orthorhombic space group Imma with unit cell parameters α = 19.067(4) Å, $b$ = 4.6071(10) Å and c = 11.583(4) Å, adopting a low-temperature modification of BiNi-type structure by forming columns along the b-axis. Wave-length-dispersive X-ray spectroscopy (WDS) confirms the presence of Co in the structure, which is found to be 7 at.%. In each column, the transition metal (T) and Bi atoms construct a double-walled nanotubular arrangement of atoms around the disordered central Bi atoms. Electronic structure calculations (LMTO-ASA, LSDA) show that the calculated Fermi level falls into a pseudogap and also indicate a possible low-temperature magnetic ordering in the phase.

  15. Additivity, density fluctuations, and nonequilibrium thermodynamics for active Brownian particles

    NASA Astrophysics Data System (ADS)

    Chakraborti, Subhadip; Mishra, Shradha; Pradhan, Punyabrata

    2016-05-01

    Using an additivity property, we study particle-number fluctuations in a system of interacting self-propelled particles, called active Brownian particles (ABPs), which consists of repulsive disks with random self-propulsion velocities. From a fluctuation-response relation, a direct consequence of additivity, we formulate a thermodynamic theory which captures the previously observed features of nonequilibrium phase transition in the ABPs from a homogeneous fluid phase to an inhomogeneous phase of coexisting gas and liquid. We substantiate the predictions of additivity by analytically calculating the subsystem particle-number distributions in the homogeneous fluid phase away from criticality where analytically obtained distributions are compatible with simulations in the ABPs.

  16. Importance of thermal nonequilibrium considerations for the simulation of nuclear reactor LOCA transients. [PWR

    SciTech Connect

    Fischer, S.R.; Nelson, R.A.; Sullivan, L.H.

    1980-01-01

    The purpose of this paper is to show the importance of considering thermal nonequilibrium effects in computer simulations of the refill and reflood portions of pressurized water reactor (PWR) loss-of-coolnat accident (LOCA) transients. Although RELAP4 assumes thermodynamic equilibrium between phases, models that account for the nonequilibrium phenomena associated with the mixing of subcooled emergency cooling water with steam and the superheating of vapor in the presence of liquid droplets have recently been incorporated into the code. Code calculated results, both with and without these new models, have been compared with experimental test data to assess the importance of including thermal nonequilibrium phenomena in computer code simulations.

  17. Metastable dynamics in heterogeneous neural fields

    PubMed Central

    Schwappach, Cordula; Hutt, Axel; beim Graben, Peter

    2015-01-01

    We present numerical simulations of metastable states in heterogeneous neural fields that are connected along heteroclinic orbits. Such trajectories are possible representations of transient neural activity as observed, for example, in the electroencephalogram. Based on previous theoretical findings on learning algorithms for neural fields, we directly construct synaptic weight kernels from Lotka-Volterra neural population dynamics without supervised training approaches. We deliver a MATLAB neural field toolbox validated by two examples of one- and two-dimensional neural fields. We demonstrate trial-to-trial variability and distributed representations in our simulations which might therefore be regarded as a proof-of-concept for more advanced neural field models of metastable dynamics in neurophysiological data. PMID:26175671

  18. Universal metastability of sickle hemoglobin polymerization

    NASA Astrophysics Data System (ADS)

    Weng, Weijun

    Sickle hemoglobin (HbS) is a natural mutation of the normal hemoglobin (HbA) found in the red blood cells of human body. Polymerization of HbS occurs when the concentration of deoxyHbS exceeds a well-defined solubility, which is the underlying cause of the Sickle Cell Disease. It has long been assumed that thermodynamic equilibrium is reached when polymerization comes to an end. However, in this thesis we demonstrate that in confined volume as well as in bulk solution, HbS polymerization terminates prematurely, leaving the solution in a metastable state. A newly developed Reservoir method as well as modulated excitation method were adopted for the study. This discovery of universal metastability gives us new insights into understanding the mechanism of sickle cell disease.

  19. Metastability in bubbling AdS space

    NASA Astrophysics Data System (ADS)

    Massai, Stefano; Pasini, Giulio; Puhm, Andrea

    2015-02-01

    We study the dynamics of probe M5 branes with dissolved M2 charge in bubbling geometries with SO(4) × SO(4) symmetry. These solutions were constructed by Bena-Warner and Lin-Lunin-Maldacena and correspond to the vacua of the maximally supersymmetric mass-deformed M2 brane theory. We find that supersymmetric probe M2 branes polarize into M5 brane shells whose backreaction creates an additional bubble in the geometry. We explicitly check that the supersymmetric polarization potential agrees with the one found within the Polchinski-Strassler approximation. The main result of this paper is that probe M2 branes whose orientation is opposite to the background flux can polarize into metastable M5 brane shells. These decay to a supersymmetric configuration via brane-flux annihilation. Our findings suggest the existence of metastable states in the mass-deformed M2 brane theory.

  20. Metastable localization of diseases in complex networks

    NASA Astrophysics Data System (ADS)

    Ferreira, R. S.; da Costa, R. A.; Dorogovtsev, S. N.; Mendes, J. F. F.

    2016-12-01

    We describe the phenomenon of localization in the epidemic susceptible-infective-susceptible model on highly heterogeneous networks in which strongly connected nodes (hubs) play the role of centers of localization. We find that in this model the localized states below the epidemic threshold are metastable. The longevity and scale of the metastable outbreaks do not show a sharp localization transition; instead there is a smooth crossover from localized to delocalized states as we approach the epidemic threshold from below. Analyzing these long-lasting local outbreaks for a random regular graph with a hub, we show how this localization can be detected from the shape of the distribution of the number of infective nodes.

  1. The transformation dynamics towards equilibrium in non-equilibrium w/w/o double emulsions

    NASA Astrophysics Data System (ADS)

    Chao, Youchuang; Mak, Sze Yi; Shum, Ho Cheung

    2016-10-01

    We use a glass-based microfluidic device to generate non-equilibrium water-in-water-in-oil (w/w/o) double emulsions and study how they transform into equilibrium configurations. The method relies on using three immiscible liquids, with two of them from the phase-separated aqueous two-phase systems. We find that the transformation is accompanied by an expansion rim, while the characteristic transformation speed of the rim mainly depends on the interfacial tension between the innermost and middle phases, as well as the viscosity of the innermost phase when the middle phase is non-viscous. Remarkably, the viscosity of the outermost phase has little effect on the transformation speed. Our results account for the dynamics of non-equilibrium double emulsions towards their equilibrium structure and suggest a possibility to utilize the non-equilibrium drops to synthesize functional particles.

  2. Transient Cognitive Dynamics, Metastability, and Decision Making

    DTIC Science & Technology

    2008-05-02

    793–810. 39. Wagatsuma H, Yamaguchi Y (2007) Neural dynamics of the cognitive map in the hippocampus. Cognitive Neurodynamics 1: 119–141. 40. Kifer Y...Transient Cognitive Dynamics, Metastability, and Decision Making Mikhail I. Rabinovich1*, Ramón Huerta1,2, Pablo Varona2, Valentin S. Afraimovich3 1...Óptica, UASLP, San Luis de Potosı́, Mexico Abstract The idea that cognitive activity can be understood using nonlinear dynamics has been intensively

  3. Detonation of Meta-stable Clusters

    SciTech Connect

    Kuhl, Allen; Kuhl, Allen L.; Fried, Laurence E.; Howard, W. Michael; Seizew, Michael R.; Bell, John B.; Beckner, Vincent; Grcar, Joseph F.

    2008-05-31

    We consider the energy accumulation in meta-stable clusters. This energy can be much larger than the typical chemical bond energy (~;;1 ev/atom). For example, polymeric nitrogen can accumulate 4 ev/atom in the N8 (fcc) structure, while helium can accumulate 9 ev/atom in the excited triplet state He2* . They release their energy by cluster fission: N8 -> 4N2 and He2* -> 2He. We study the locus of states in thermodynamic state space for the detonation of such meta-stable clusters. In particular, the equilibrium isentrope, starting at the Chapman-Jouguet state, and expanding down to 1 atmosphere was calculated with the Cheetah code. Large detonation pressures (3 and 16 Mbar), temperatures (12 and 34 kilo-K) and velocities (20 and 43 km/s) are a consequence of the large heats of detonation (6.6 and 50 kilo-cal/g) for nitrogen and helium clusters respectively. If such meta-stable clusters could be synthesized, they offer the potential for large increases in the energy density of materials.

  4. Stochastic basins of attraction for metastable states

    NASA Astrophysics Data System (ADS)

    Serdukova, Larissa; Zheng, Yayun; Duan, Jinqiao; Kurths, Jürgen

    2016-07-01

    Basin of attraction of a stable equilibrium point is an effective concept for stability analysis in deterministic systems; however, it does not contain information on the external perturbations that may affect it. Here we introduce the concept of stochastic basin of attraction (SBA) by incorporating a suitable probabilistic notion of basin. We define criteria for the size of the SBA based on the escape probability, which is one of the deterministic quantities that carry dynamical information and can be used to quantify dynamical behavior of the corresponding stochastic basin of attraction. SBA is an efficient tool to describe the metastable phenomena complementing the known exit time, escape probability, or relaxation time. Moreover, the geometric structure of SBA gives additional insight into the system's dynamical behavior, which is important for theoretical and practical reasons. This concept can be used not only in models with small noise intensity but also with noise whose amplitude is proportional or in general is a function of an order parameter. As an application of our main results, we analyze a three potential well system perturbed by two types of noise: Brownian motion and non-Gaussian α-stable Lévy motion. Our main conclusions are that the thermal fluctuations stabilize the metastable system with an asymmetric three-well potential but have the opposite effect for a symmetric one. For Lévy noise with larger jumps and lower jump frequencies ( α = 0.5 ) metastability is enhanced for both symmetric and asymmetric potentials.

  5. Stochastic basins of attraction for metastable states.

    PubMed

    Serdukova, Larissa; Zheng, Yayun; Duan, Jinqiao; Kurths, Jürgen

    2016-07-01

    Basin of attraction of a stable equilibrium point is an effective concept for stability analysis in deterministic systems; however, it does not contain information on the external perturbations that may affect it. Here we introduce the concept of stochastic basin of attraction (SBA) by incorporating a suitable probabilistic notion of basin. We define criteria for the size of the SBA based on the escape probability, which is one of the deterministic quantities that carry dynamical information and can be used to quantify dynamical behavior of the corresponding stochastic basin of attraction. SBA is an efficient tool to describe the metastable phenomena complementing the known exit time, escape probability, or relaxation time. Moreover, the geometric structure of SBA gives additional insight into the system's dynamical behavior, which is important for theoretical and practical reasons. This concept can be used not only in models with small noise intensity but also with noise whose amplitude is proportional or in general is a function of an order parameter. As an application of our main results, we analyze a three potential well system perturbed by two types of noise: Brownian motion and non-Gaussian α-stable Lévy motion. Our main conclusions are that the thermal fluctuations stabilize the metastable system with an asymmetric three-well potential but have the opposite effect for a symmetric one. For Lévy noise with larger jumps and lower jump frequencies ( α=0.5) metastability is enhanced for both symmetric and asymmetric potentials.

  6. Nonequilibrium mesoscopic transport: a genealogy.

    PubMed

    Das, Mukunda P; Green, Frederick

    2012-05-09

    Models of nonequilibrium quantum transport underpin all modern electronic devices, from the largest scales to the smallest. Past simplifications such as coarse graining and bulk self-averaging served well to understand electronic materials. Such particular notions become inapplicable at mesoscopic dimensions, edging towards the truly quantum regime. Nevertheless a unifying thread continues to run through transport physics, animating the design of small-scale electronic technology: microscopic conservation and nonequilibrium dissipation. These fundamentals are inherent in quantum transport and gain even greater and more explicit experimental meaning in the passage to atomic-sized devices. We review their genesis, their theoretical context, and their governing role in the electronic response of meso- and nanoscopic systems.

  7. Nonequilibrium quantum fluctuations of work.

    PubMed

    Allahverdyan, A E

    2014-09-01

    The concept of work is basic for statistical thermodynamics. To gain a fuller understanding of work and its (quantum) features, it needs to be represented as an average of a fluctuating quantity. Here I focus on the work done between two moments of time for a thermally isolated quantum system driven by a time-dependent Hamiltonian. I formulate two natural conditions needed for the fluctuating work to be physically meaningful for a system that starts its evolution from a nonequilibrium state. The existing definitions do not satisfy these conditions due to issues that are traced back to noncommutativity. I propose a definition of fluctuating work that is free of previous drawbacks and that applies for a wide class of nonequilibrium initial states. It allows the deduction of a generalized work-fluctuation theorem that applies for an arbitrary (out-of-equilibrium) initial state.

  8. Thermal evolution of the metastable r8 and bc8 polymorphs of silicon

    SciTech Connect

    Haberl, Bianca; Guthrie, Malcolm; Sinogeikin, Stanislav V.; Shen, Guoyin; Williams, James S.; Bradby, Jodie E.

    2015-01-28

    The kinetics of two metastable polymorphs of silicon under thermal annealing was investigated. These phases with body-centered cubic bc8 and rhombohedral r8 structures can be formed upon pressure release from metallic silicon.We study these metastable polymorphs were formed by two different methods, via point loading and in a diamond anvil cell (DAC). Upon thermal annealing different transition pathways were detected. In the point loading case, the previously reported Si-XIII formed and was confirmed as a new phase with an as-yet-unidentified structure. In the DAC case, bc8-Si transformed to the hexagonal-diamond structure at elevated pressure, consistent with previous studies at ambient pressure. In contrast, r8-Si transformed directly to diamond-cubic Si at a temperature of 255⁰C. In conclusion, these data were used to construct diagrams of the metastability regimes of the polymorphs formed in a DAC and may prove useful for potential technological applications of these metastable polymorphs.

  9. Vortex Lattice Metastability and Power Law Dynamics in MgB2

    NASA Astrophysics Data System (ADS)

    Rastovski, Catherine; Kuhn, S. J.; Smith, K.; Eskildsen, M. R.; Debeer-Schmitt, L.; Dewhurst, C. D.; Gannon, W. J.; Zhigadlo, N. D.; Karpinski, J.

    2014-03-01

    Previous small-angle neutron scattering (SANS) studies of the vortex lattice (VL) of MgB2 with H ∥ c found a triangular VL which undergoes a field-driven 30° reorientation transition, forming three distinct ground state phases. A high degree of metastability exists between the VL phases of MgB2 that cannot be attributed to vortex pinning and may be a result of the jamming of VL domains [C. Rastovski et al., Phys. Rev. Lett. 111, 107002 (2013)]. To further investigate the effect of vortex motion on the metastable to ground state VL transition, we applied a small AC magnetic field parallel or perpendicular to the vortices to ``shake'' the lattice. The metastable VL volume fraction decreased with a two-step power law dependence on the number of applied AC cycles. The slow and then fast power law decay of the metastable state may indicate first nucleation and then growth of ground state VL domains. This work was supported by the Department of Energy, Basic Energy Sciences under Award No. DE-FG02-10ER46783.

  10. Thermal evolution of the metastable r8 and bc8 polymorphs of silicon

    DOE PAGES

    Haberl, Bianca; Guthrie, Malcolm; Sinogeikin, Stanislav V.; ...

    2015-01-28

    The kinetics of two metastable polymorphs of silicon under thermal annealing was investigated. These phases with body-centered cubic bc8 and rhombohedral r8 structures can be formed upon pressure release from metallic silicon.We study these metastable polymorphs were formed by two different methods, via point loading and in a diamond anvil cell (DAC). Upon thermal annealing different transition pathways were detected. In the point loading case, the previously reported Si-XIII formed and was confirmed as a new phase with an as-yet-unidentified structure. In the DAC case, bc8-Si transformed to the hexagonal-diamond structure at elevated pressure, consistent with previous studies at ambientmore » pressure. In contrast, r8-Si transformed directly to diamond-cubic Si at a temperature of 255⁰C. In conclusion, these data were used to construct diagrams of the metastability regimes of the polymorphs formed in a DAC and may prove useful for potential technological applications of these metastable polymorphs.« less

  11. Nonequilibrium Enhances Adaptation Efficiency of Stochastic Biochemical Systems

    PubMed Central

    Jia, Chen; Qian, Minping

    2016-01-01

    Adaptation is a crucial biological function possessed by many sensory systems. Early work has shown that some influential equilibrium models can achieve accurate adaptation. However, recent studies indicate that there are close relationships between adaptation and nonequilibrium. In this paper, we provide an explanation of these two seemingly contradictory results based on Markov models with relatively simple networks. We show that as the nonequilibrium driving becomes stronger, the system under consideration will undergo a phase transition along a fixed direction: from non-adaptation to simple adaptation then to oscillatory adaptation, while the transition in the opposite direction is forbidden. This indicates that although adaptation may be observed in equilibrium systems, it tends to occur in systems far away from equilibrium. In addition, we find that nonequilibrium will improve the performance of adaptation by enhancing the adaptation efficiency. All these results provide a deeper insight into the connection between adaptation and nonequilibrium. Finally, we use a more complicated network model of bacterial chemotaxis to validate the main results of this paper. PMID:27195482

  12. Separating forward and backward pathways in nonequilibrium umbrella sampling

    NASA Astrophysics Data System (ADS)

    Dickson, Alex; Warmflash, Aryeh; Dinner, Aaron R.

    2009-10-01

    Umbrella sampling enforces uniform sampling of steady-state distributions that are functions of arbitrary numbers of order parameters. The key to applying such methods to nonequilibrium processes is the accumulation of fluxes between regions. A significant difference between microscopically reversible and irreversible systems is that, in the latter case, the transition path ensemble for a reaction can be significantly different for "forward" and "backward" trajectories. Here, we show how to separately treat forward and backward pathways in nonequilibrium umbrella sampling simulations by working in an extended space. In this extended space, the exact rate (for equilibrium or nonequilibrium processes) can be calculated "for free" as a flux in phase space. We compare the efficiency of this rate calculation with forward flux sampling for a two-dimensional potential and show that nonequilibrium umbrella sampling is more efficient when an intermediate is present. We show that this technique can also be used to describe steady-state limit cycles by examining a simulation of circadian oscillations. We obtain the path of the limit cycle in a space of 22 order parameters, as well as the oscillation period. The relation of our method to others is discussed.

  13. ScVO4 under non-hydrostatic compression: a new metastable polymorph.

    PubMed

    Garg, Alka B; Errandonea, D; Rodríguez-Hernández, P; Muñoz, A

    2017-02-08

    The high-pressure (HP) behaviour of scandium vanadate (ScVO4) is investigated under non-hydrostatic compression. The compound is studied by means of synchrotron-based powder x-ray diffraction (XRD) and optical-absorption techniques. The occurrence of a non-reversible phase transition is detected. The transition is from the zircon structure to the fergusonite-type structure and takes place around 6 GPa with nearly 10% volume discontinuity. XRD measurements on the pressure cycled sample confirm for the first time that the fergusonite-type ScVO4 can be recovered as the metastable phase at ambient conditions. Raman spectroscopic measurements verify the metastable phase to be of a fergusonite-type phase. Theoretical calculations also corroborate the experimental findings. The fergusonite phase is found to be stiffer than the ambient-pressure zircon phase, as indicated by the observed experimental and theoretical bulk moduli. The optical properties and lattice-dynamics calculation of the fergusonite ScVO4 are discussed. At ambient pressure the band gap of the zircon (fergusonite)-type ScVO4 is 2.75 eV (2.3 eV). This fact suggests that the novel metastable polymorph of ScVO4 can have applications in green technologies; for instance, it can be used as photocatalytic material for hydrogen production by water splitting.

  14. ScVO4 under non-hydrostatic compression: a new metastable polymorph

    NASA Astrophysics Data System (ADS)

    Garg, Alka B.; Errandonea, D.; Rodríguez-Hernández, P.; Muñoz, A.

    2017-02-01

    The high-pressure (HP) behaviour of scandium vanadate (ScVO4) is investigated under non-hydrostatic compression. The compound is studied by means of synchrotron-based powder x-ray diffraction (XRD) and optical-absorption techniques. The occurrence of a non-reversible phase transition is detected. The transition is from the zircon structure to the fergusonite-type structure and takes place around 6 GPa with nearly 10% volume discontinuity. XRD measurements on the pressure cycled sample confirm for the first time that the fergusonite-type ScVO4 can be recovered as the metastable phase at ambient conditions. Raman spectroscopic measurements verify the metastable phase to be of a fergusonite-type phase. Theoretical calculations also corroborate the experimental findings. The fergusonite phase is found to be stiffer than the ambient-pressure zircon phase, as indicated by the observed experimental and theoretical bulk moduli. The optical properties and lattice-dynamics calculation of the fergusonite ScVO4 are discussed. At ambient pressure the band gap of the zircon (fergusonite)-type ScVO4 is 2.75 eV (2.3 eV). This fact suggests that the novel metastable polymorph of ScVO4 can have applications in green technologies; for instance, it can be used as photocatalytic material for hydrogen production by water splitting.

  15. On metastability and Markov state models for non-stationary molecular dynamics

    NASA Astrophysics Data System (ADS)

    Koltai, Péter; Ciccotti, Giovanni; Schütte, Christof

    2016-11-01

    Unlike for systems in equilibrium, a straightforward definition of a metastable set in the non-stationary, non-equilibrium case may only be given case-by-case—and therefore it is not directly useful any more, in particular in cases where the slowest relaxation time scales are comparable to the time scales at which the external field driving the system varies. We generalize the concept of metastability by relying on the theory of coherent sets. A pair of sets A and B is called coherent with respect to the time interval [t1, t2] if (a) most of the trajectories starting in A at t1 end up in B at t2 and (b) most of the trajectories arriving in B at t2 actually started from A at t1. Based on this definition, we can show how to compute coherent sets and then derive finite-time non-stationary Markov state models. We illustrate this concept and its main differences to equilibrium Markov state modeling on simple, one-dimensional examples.

  16. Macroscopic heat transport equations and heat waves in nonequilibrium states

    NASA Astrophysics Data System (ADS)

    Guo, Yangyu; Jou, David; Wang, Moran

    2017-03-01

    Heat transport may behave as wave propagation when the time scale of processes decreases to be comparable to or smaller than the relaxation time of heat carriers. In this work, a generalized heat transport equation including nonlinear, nonlocal and relaxation terms is proposed, which sums up the Cattaneo-Vernotte, dual-phase-lag and phonon hydrodynamic models as special cases. In the frame of this equation, the heat wave propagations are investigated systematically in nonequilibrium steady states, which were usually studied around equilibrium states. The phase (or front) speed of heat waves is obtained through a perturbation solution to the heat differential equation, and found to be intimately related to the nonlinear and nonlocal terms. Thus, potential heat wave experiments in nonequilibrium states are devised to measure the coefficients in the generalized equation, which may throw light on understanding the physical mechanisms and macroscopic modeling of nanoscale heat transport.

  17. Waveform effects of a metastable olivine tongue in subducting slabs

    NASA Technical Reports Server (NTRS)

    Vidale, John E.; Williams, Quentin; Houston, Heidi

    1991-01-01

    Velocity models of subducting slabs with a kinetically-depressed olivine to beta- and gamma-spinel transition are constructed, and the effect that such structures would have on teleseismic P waveforms are examined using a full-wave finite-difference method. These 2D calculations yielded waveforms at a range of distances in the downdip direction. The slab models included a wedge-shaped, low-velocity metastable olivine tongue (MOTO) to a depth of 670 km, as well as a plausible thermal anomaly; one model further included a 10-km-thick fast layer on the surface of the slab. The principal effect of MOTO is to produce grazing reflections at wide angles off the phase boundary, generating a secondary arrival 0 to 4 seconds after the initial arrival depending on the take-off angle. The amplitude and timing of this feature vary with the lateral location of the seismic source within the slab cross-section.

  18. New metastable form of ice and its role in the homogeneous crystallization of water.

    PubMed

    Russo, John; Romano, Flavio; Tanaka, Hajime

    2014-07-01

    The homogeneous crystallization of water at low temperature is believed to occur through the direct nucleation of cubic (Ic) and hexagonal (Ih) ices. Here, we provide evidence from molecular simulations that the nucleation of ice proceeds through the formation of a new metastable phase, which we name Ice 0. We find that Ice 0 is structurally similar to the supercooled liquid, and that on growth it gradually converts into a stacking of Ice Ic and Ih. We suggest that this mechanism provides a thermodynamic explanation for the location and pressure dependence of the homogeneous nucleation temperature, and that Ice 0 controls the homogeneous nucleation of low-pressure ices, acting as a precursor to crystallization in accordance with Ostwald's step rule of phases. Our findings show that metastable crystalline phases of water may play roles that have been largely overlooked.

  19. Approach to non-equilibrium behaviour in quantum field theory

    SciTech Connect

    Kripfganz, J.; Perlt, H.

    1989-05-01

    We study the real-time evolution of quantum field theoretic systems in non-equilibrium situations. Results are presented for the example of scalar /lambda//phi//sup 4/ theory. The degrees of freedom are discretized by studying the system on a torus. Short-wavelength modes are integrated out to one-loop order. The long-wavelength modes considered to be the relevant degrees of freedom are treated by semiclassical phase-space methods. /copyright/ 1989 Academic Press, Inc.

  20. Nonequilibrium chemistry boundary layer integral matrix procedure

    NASA Technical Reports Server (NTRS)

    Tong, H.; Buckingham, A. C.; Morse, H. L.

    1973-01-01

    The development of an analytic procedure for the calculation of nonequilibrium boundary layer flows over surfaces of arbitrary catalycities is described. An existing equilibrium boundary layer integral matrix code was extended to include nonequilibrium chemistry while retaining all of the general boundary condition features built into the original code. For particular application to the pitch-plane of shuttle type vehicles, an approximate procedure was developed to estimate the nonequilibrium and nonisentropic state at the edge of the boundary layer.

  1. Mathematical simulation for non-equilibrium droplet evaporation

    NASA Astrophysics Data System (ADS)

    Dushin, V. R.; Kulchitskiy, A. V.; Nerchenko, V. A.; Nikitin, V. F.; Osadchaya, E. S.; Phylippov, Yu. G.; Smirnov, N. N.

    2008-12-01

    Investigations of acute problems of phase transitions in continua mechanics need adequate modeling of evaporation, which is extremely important for the curved surfaces in the presence of strong heat and mass diffusion fluxes. Working cycle of heat pipes is governed by the active fluid evaporation rate. Combustion of most widely spread hydrocarbon fuels takes place in a gas-phase regime. Thus, evaporation of fuel from the surface of droplets turns to be one of the limiting factors of the process as well. In the present paper processes of non-equilibrium evaporation of small droplets in a quiescent air and in streaming gas flows were investigated theoretically. The rate of droplet evaporation is characterized by a dimensionless Peclet number ( Pe). A new dimensionless parameter I characterizing the deviation of phase transition from the equilibrium was introduced, which made it possible to investigate its influence on variations of the Peclet number and to determine the range of applicability for the quasi-equilibrium model. As it follows from the present investigations accounting for non-equilibrium effects in evaporation for many types of widely used liquids is crucial for droplets diameters less than 100μm, while the surface tension effects essentially manifest only for droplets below 0.1μm. The effects of velocity non-equilibrium and droplet atomization were taken into account.

  2. Nonequilibrium volumetric response of shocked polymers

    SciTech Connect

    Clements, B E

    2009-01-01

    Polymers are well known for their non-equilibrium deviatoric behavior. However, investigations involving both high rate shock experiments and equilibrium measured thermodynamic quantities remind us that the volumetric behavior also exhibits a non-equilibrium response. Experiments supporting the notion of a non-equilibrium volumetric behavior will be summarized. Following that discussion, a continuum-level theory is proposed that will account for both the equilibrium and non-equilibrium response. Upon finding agreement with experiment, the theory is used to study the relaxation of a shocked polymer back towards its shocked equilibrium state.

  3. Nonequilibrium conductivity at quantum critical points

    NASA Astrophysics Data System (ADS)

    Berridge, A. M.; Green, A. G.

    2013-12-01

    Quantum criticality provides an important route to revealing universal nonequilibrium behavior. A canonical example of a critical point is the Bose-Hubbard model, which we study under the application of an electric field. A Boltzmann transport formalism and ɛ expansion are used to obtain the nonequilibrium conductivity and current noise. This approach allows us to explicitly identify how a universal nonequilibrium steady state is maintained, by identifying the rate-limiting step in balancing Joule heating and dissipation to a heat bath. It also reveals that the nonequilibrium distribution function is very far from a thermal distribution.

  4. Controlling the metal-to-insulator relaxation of the metastable hidden quantum state in 1T-TaS2

    PubMed Central

    Vaskivskyi, Igor; Gospodaric, Jan; Brazovskii, Serguei; Svetin, Damjan; Sutar, Petra; Goreshnik, Evgeny; Mihailovic, Ian A.; Mertelj, Tomaz; Mihailovic, Dragan

    2015-01-01

    Controllable switching between metastable macroscopic quantum states under nonequilibrium conditions induced either by light or with an external electric field is rapidly becoming of great fundamental interest. We investigate the relaxation properties of a “hidden” (H) charge density wave (CDW) state in thin single crystals of the layered dichalcogenide 1T-TaS2, which can be reached by either a single 35-fs optical laser pulse or an ~30-ps electrical pulse. From measurements of the temperature dependence of the resistivity under different excitation conditions, we find that the metallic H state relaxes to the insulating Mott ground state through a sequence of intermediate metastable states via discrete jumps over a “Devil’s staircase.” In between the discrete steps, an underlying glassy relaxation process is observed, which arises because of reciprocal-space commensurability frustration between the CDW and the underlying lattice. We show that the metastable state relaxation rate may be externally stabilized by substrate strain, thus opening the way to the design of nonvolatile ultrafast high-temperature memory devices based on switching between CDW states with large intrinsic differences in electrical resistance. PMID:26601218

  5. Local equations of state in nonequilibrium heterogeneous physicochemical systems

    NASA Astrophysics Data System (ADS)

    Tovbin, Yu. K.

    2017-03-01

    Equations describing local thermal and caloric equations of state in heterogeneous systems at any degree of their states' deviation from equilibrium are derived. The state of a system is described by equations of the transfer of mixture components; these generalize the equations of classical non-equilibrium thermodynamics for strongly nonequilibrium processes. The contributions from reactions and external fields are taken into account. The equations are derived using the lattice gas model with discrete molecular distributions in space (on a scale comparable to molecular dimensions) and continuous molecular distributions (at short distances inside cells) during their translational and vibrational motions. For simplicity, it is assumed that distinctions between the sizes of mixture components are small. Contributions from potential functions of intermolecular interaction (of the Lennard-Jones type) to some coordination spheres are considered. The theory provides a unified description of the dynamics of distributions of concentrations and pair functions of mixture components in three aggregate states, and at their interfaces. Universal expressions for the local components of the pressure tensor and internal energy inside multicomponent bulk phases and at their interfaces are obtained. Local components of the pressure tensor and the internal energy are universally expressed through local unary and pair distribution functions (DFs) in any nonequilibrium state. The time evolution of the unary and pair DFs themselves is determined from the derived system of equations of mass, momentum, and energy transfer that ensure the transition of the system from a strongly nonequilibrium state to both the local equilibrium state described within traditional nonequilibrium thermodynamics and the complete thermodynamic equilibrium state postulated by classical thermodynamics.

  6. Noise signatures of metastable resistivity states in ferromagnetic insulating manganite

    SciTech Connect

    Przybytek, J.; Fink-Finowicki, J.; Puźniak, R.; Markovich, V.; Jung, G.

    2015-07-28

    Pronounced noise signatures enabling one to discriminate metastable resistivity states in La{sub 0.86}Ca{sub 0.14}MnO{sub 3} single crystals have been observed. The normalized noise spectra for metastable resisitivity differ both in shape and magnitude, indicating that the metastable state is associated with transition of the electronic system into another local minimum of the potential landscape. Such scenario is consistent with freezing of the electronic system into a Coulomb glass state.

  7. Nonequilibrium dynamics of emergent field configurations

    NASA Astrophysics Data System (ADS)

    Howell, Rafael Cassidy

    The processes by which nonlinear physical systems approach thermal equilibrium is of great importance in many areas of science. Central to this is the mechanism by which energy is transferred between the many degrees of freedom comprising these systems. With this in mind, in this research the nonequilibrium dynamics of nonperturbative fluctuations within Ginzburg-Landau models are investigated. In particular, two questions are addressed. In both cases the system is initially prepared in one of two minima of a double-well potential. First, within the context of a (2 + 1) dimensional field theory, we investigate whether emergent spatio-temporal coherent structures play a dynamcal role in the equilibration of the field. We find that the answer is sensitive to the initial temperature of the system. At low initial temperatures, the dynamics are well approximated with a time-dependent mean-field theory. For higher temperatures, the strong nonlinear coupling between the modes in the field does give rise to the synchronized emergence of coherent spatio-temporal configurations, identified with oscillons. These are long-lived coherent field configurations characterized by their persistent oscillatory behavior at their core. This initial global emergence is seen to be a consequence of resonant behavior in the long wavelength modes in the system. A second question concerns the emergence of disorder in a highly viscous system modeled by a (3 + 1) dimensional field theory. An integro-differential Boltzmann equation is derived to model the thermal nucleation of precursors of one phase within the homogeneous background. The fraction of the volume populated by these precursors is computed as a function of temperature. This model is capable of describing the onset of percolation, characterizing the approach to criticality (i.e. disorder). It also provides a nonperturbative correction to the critical temperature based on the nonequilibrium dynamics of the system.

  8. First principles study of metastable beta titanium alloys

    NASA Astrophysics Data System (ADS)

    Gupta, Niraj

    The high temperature BCC phase (beta) of titanium undergoes a martensitic transformation to HCP phase (alpha) upon cooling, but can be stabilized at room temperature by alloying with BCC transition metals such as Mo. There exists a metastable composition range within which the alloyed beta phase separates into alpha+beta upon equilibrium cooling but not when rapidly quenched. Compositional partitioning of the stabilizing element in asquenched beta microstructure creates nanoscale precipitates of a new simple hexagonal £s phase, which considerably reduces ductility. These phase transformation reactions have been extensively studied experimentally, yet several significant questions remain: (i) The mechanism by which the alloying element stabilizes the beta phase, thwarts its transformation to £s and how these processes vary as a function of the concentration of the stabilizing element is unclear. (ii) What is the atomistic mechanism responsible for the non-Arrhenius, anomalous diffusion widely observed in experiments, and how does it extend to low temperatures? How does the concentration of the stabilizing elements alter this behavior? There are many other £s forming alloys that such exhibit anomalous diffusion behavior. (iii) A lack of clarity remains on whether £s can transform to alpha -phase in the crystal bulk or if it occurs only at high-energy regions such as grain boundaries. Furthermore, what is the nature of the alpha phase embryo? (iv) Although previous computational results discovered a new o → alpha transformation mechanism in pure Ti with activation energy lower than the classical Silcock pathway, it is at odds with the alpha /beta / o orientation relationship seen in experiments.

  9. Metastable Krypton Beam Source via Two-Photon Pumping Technique

    SciTech Connect

    Wong, W.W.; Young, L.

    2003-01-01

    Metastable beams of rare gas atoms have wide applications in chemical analysis of samples, as well as in aiding understanding of fundamental processes and physical attributes. Most current sources of metastable rare gas atomic beams, however, are limited in their flux density, which greatly reduces their utility in applications such as low level trace analysis and precision measurements. Previous work has demonstrated feasibility of metastable krypton production via two-photon pumping, and this paper extends that possibility into beam form. Further optimization on this scheme, moreover, promises 100-fold increase of metastable krypton flux density over that of an rf-driven discharge.

  10. Nozzle flow with vibrational nonequilibrium

    NASA Technical Reports Server (NTRS)

    Heinbockel, J. H.; Landry, J. G.

    1995-01-01

    This research concerns the modeling and numerical solutions of the coupled system of compressible Navier-Stokes equations in cylindrical coordinates under conditions of equilibrium and nonequilibrium thermodynamics. The problem considered was the modeling of a high temperature diatomic gas N2 flowing through a converging-diverging high expansion nozzle. The problem was modeled in two ways. The first model uses a single temperature with variable specific heats as functions of this temperature. For the second model we assume that the various degrees of freedom all have a Boltzmann distribution and that there is a continuous redistribution of energy among the various degrees of freedom as the gas passes through the nozzle. Each degree of freedom is assumed to have its own temperature and, consequently, each system state can be characterized by these temperatures. This suggests that formulation of a second model with a vibrational degree of freedom along with a rotational-translation degree of freedom, each degree of freedom having its own temperature. Initially the vibrational degree of freedom is excited by heating the gas to a high temperature. As the high temperature gas passes through the nozzle throat there is a sudden drop in temperature along with a relaxation time for the vibrational degree of freedom to achieve equilibrium with the rotational-translation degree of freedom. That is, we assume that the temperature change upon passing through the throat is so great that the changes in the vibrational degree of freedom occur at a much slower pace and consequently lags behind the rotational-translational energy changes. This lag results in a finite relaxation time. In this context the term nonequilibrium is used to denote the fact that the energy content of the various degrees of freedom are characterized by two temperatures. We neglect any chemical reactions which could also add nonequilibrium effects. We develop the energy equations for the nonequilibrium model

  11. Deep Metastable Eutectic Nanometer-Scale Particles in the MgO-Al2O3-SiO2 System

    NASA Technical Reports Server (NTRS)

    Reitmeijer, Frans J. M.; Nash, J. A., III

    2011-01-01

    Laboratory vapor phase condensation experiments systematically yield amorphous, homogeneous, nanoparticles with unique deep metastable eutectic compositions. They formed during the nucleation stage in rapidly cooling vapor systems. These nanoparticles evidence the complexity of the nucleation stage. Similar complex behavior may occur during the nucleation stage in quenched-melt laboratory experiments. Because of the bulk size of the quenched system many of such deep metastable eutectic nanodomains will anneal and adjust to local equilibrium but some will persist metastably depending on the time-temperature regime and melt/glass transformation.

  12. Nonequilibrium effects in self-assembled mesophase materials: unexpected supercooling effects for cubosomes and hexosomes.

    PubMed

    Dong, Yao-Da; Tilley, Adam J; Larson, Ian; Lawrence, M Jayne; Amenitsch, Heinz; Rappolt, Michael; Hanley, Tracey; Boyd, Ben J

    2010-06-01

    Polar lipids often exhibit equilibrium liquid crystalline structures in excess water, such as the bicontinuous cubic phases (Q(II)) at low temperatures and inverse hexagonal phase (H(II)) at higher temperatures. In this study, the equilibrium and nonequilibrium phase behavior of glyceryl monooleate (GMO) and phytantriol (PHYT) systems in excess water were investigated using both continuous heating and cooling cycles, and rapid temperature changes. Evolution of the phase structure was followed using small-angle X-ray scattering (SAXS). During cooling, not only was supercooling of the liquid crystalline systems by up to 25 degrees C observed, but evidence for nonequilibrium phase structures (not present on heating; such as the gyroid cubic phase only present at low water content in equilibrium) was also apparent. The nonequilibrium phases were surprisingly stable, with return to equilibrium structure for dispersed submicrometer sized particle systems taking more than 13 h in some cases. Inhibition of phase nucleation was the key to greater supercooling effects observed for the dispersed particles compared to the bulk systems. These findings highlight the need for continued study into the nonequilibrium phase structures for these types of systems, as this may influence performance in applications such as drug delivery.

  13. Metastable Metal Hydrides for Hydrogen Storage

    DOE PAGES

    Graetz, Jason

    2012-01-01

    The possibility of using hydrogen as a reliable energy carrier for both stationary and mobile applications has gained renewed interest in recent years due to improvements in high temperature fuel cells and a reduction in hydrogen production costs. However, a number of challenges remain and new media are needed that are capable of safely storing hydrogen with high gravimetric and volumetric densities. Metal hydrides and complex metal hydrides offer some hope of overcoming these challenges; however, many of the high capacity “reversible” hydrides exhibit a large endothermic decomposition enthalpy making it difficult to release the hydrogen at low temperatures. Onmore » the other hand, the metastable hydrides are characterized by a low reaction enthalpy and a decomposition reaction that is thermodynamically favorable under ambient conditions. The rapid, low temperature hydrogen evolution rates that can be achieved with these materials offer much promise for mobile PEM fuel cell applications. However, a critical challenge exists to develop new methods to regenerate these hydrides directly from the reactants and hydrogen gas. This spotlight paper presents an overview of some of the metastable metal hydrides for hydrogen storage and a few new approaches being investigated to address the key challenges associated with these materials.« less

  14. Probability of metastable states in Yukawa clusters

    NASA Astrophysics Data System (ADS)

    Ludwig, Patrick; Kaehlert, Hanno; Baumgartner, Henning; Bonitz, Michael

    2008-11-01

    Finite strongly coupled systems of charged particles in external traps are of high interest in many fields. Here we analyze the occurrence probabilities of ground- and metastable states of spherical, three-dimensional Yukawa clusters by means of molecular dynamics and Monte Carlo simulations and an analytical method. We find that metastable states can occur with a higher probability than the ground state, thus confirming recent dusty plasma experiments with so-called Yukawa balls [1]. The analytical method [2], based on the harmonic approximation of the potential energy, allows for a very intuitive explanation of the probabilities when combined with the simulation results [3].[1] D. Block, S. Käding, A. Melzer, A. Piel, H. Baumgartner, and M. Bonitz, Physics of Plasmas 15, 040701 (2008)[2] F. Baletto and R. Ferrando, Reviews of Modern Physics 77, 371 (2005)[3] H. Kählert, P. Ludwig, H. Baumgartner, M. Bonitz, D. Block, S. Käding, A. Melzer, and A. Piel, submitted for publication (2008)

  15. Boltzmann equation solver adapted to emergent chemical non-equilibrium

    SciTech Connect

    Birrell, Jeremiah; Wilkening, Jon; Rafelski, Johann

    2015-01-15

    We present a novel method to solve the spatially homogeneous and isotropic relativistic Boltzmann equation. We employ a basis set of orthogonal polynomials dynamically adapted to allow for emergence of chemical non-equilibrium. Two time dependent parameters characterize the set of orthogonal polynomials, the effective temperature T(t) and phase space occupation factor ϒ(t). In this first paper we address (effectively) massless fermions and derive dynamical equations for T(t) and ϒ(t) such that the zeroth order term of the basis alone captures the particle number density and energy density of each particle distribution. We validate our method and illustrate the reduced computational cost and the ability to easily represent final state chemical non-equilibrium by studying a model problem that is motivated by the physics of the neutrino freeze-out processes in the early Universe, where the essential physical characteristics include reheating from another disappearing particle component (e{sup ±}-annihilation)

  16. Small fields: Nonequilibrium radiation dosimetry

    SciTech Connect

    Das, Indra J.; Ding, George X.; Ahnesjoe, Anders

    2008-01-15

    Advances in radiation treatment with beamlet-based intensity modulation, image-guided radiation therapy, and stereotactic radiosurgery (including specialized equipments like CyberKnife, Gamma Knife, tomotherapy, and high-resolution multileaf collimating systems) have resulted in the use of reduced treatment fields to a subcentimeter scale. Compared to the traditional radiotherapy with fields {>=}4x4 cm{sup 2}, this can result in significant uncertainty in the accuracy of clinical dosimetry. The dosimetry of small fields is challenging due to nonequilibrium conditions created as a consequence of the secondary electron track lengths and the source size projected through the collimating system that are comparable to the treatment field size. It is further complicated by the prolonged electron tracks in the presence of low-density inhomogeneities. Also, radiation detectors introduced into such fields usually perturb the level of disequilibrium. Hence, the dosimetric accuracy previously achieved for standard radiotherapy applications is at risk for both absolute and relative dose determination. This article summarizes the present knowledge and gives an insight into the future procedures to handle the nonequilibrium radiation dosimetry problems. It is anticipated that new miniature detectors with controlled perturbations and corrections will be available to meet the demand for accurate measurements. It is also expected that the Monte Carlo techniques will increasingly be used in assessing the accuracy, verification, and calculation of dose, and will aid perturbation calculations of detectors used in small and highly conformal radiation beams.

  17. The role of solid-solid phase transitions in mantle convection

    NASA Astrophysics Data System (ADS)

    Faccenda, Manuele; Dal Zilio, Luca

    2017-01-01

    With changing pressure and temperature conditions, downwelling and upwelling crustal and mantle rocks experience several solid-solid phase transitions that affect the mineral physical properties owing to structural changes in the crystal lattice and to the absorption or release of latent heat. Variations in density, together with phase boundary deflections related to the non-null reaction slope, generate important buoyancy forces that add to those induced by thermal perturbations. These buoyancy forces are proportional to the density contrast between reactant and product phases, their volume fraction, the slope and the sharpness of the reaction, and affect the style of mantle convection depending on the system composition. In a homogeneous pyrolitic mantle there is little tendency for layered convection, with slabs that may stagnate in the transition zone because of the positive buoyancy caused by post-spinel and post-ilmenite reactions, and hot plumes that are accelerated by phase transformations in the 600-800 km depth range. By adding chemical and mineralogical heterogeneities as on Earth, phase transitions introduce bulk rock and volatiles filtering effects that generate a compositional gradient throughout the entire mantle, with levels that are enriched or depleted in one or more of these components. Phase transitions often lead to mechanical softening or hardening that can be related to a different intrinsic mechanical behaviour and volatile solubility of the product phases, the heating or cooling associated with latent heat, and the transient grain size reduction in downwelling cold material. Strong variations in viscosity would enhance layered mantle convection, causing slab stagnation and plume ponding. At low temperatures and relatively dry conditions, reactions are delayed due to the sluggish kinetics, so that non-equilibrium phase aggregates can persist metastably beyond the equilibrium phase boundary. Survival of low-density metastable olivine

  18. Texture evolution in thin-sheets on AISI 301 metastable stainless steel under dynamic loading

    SciTech Connect

    Kim, K.Y.; Kozaczek, K.; Kulkarni, S.M.; Bastias, P.C.; Hahn, G.T.

    1995-05-08

    The evolution of texture in thin sheets of metastable austenitic stainless steel AISI 301 is affected by external conditions such as loading rate and temperature, by inhomogeneous deformation phenomena such as twinning and shear band formation, and by the concurent strain induced phase transformation of the retained austenitc ({gamma}) into martensite ({alpha}). The present paper describes texture measurements on different gauges of AISI 301 prior and after uniaxial stretching under different conditions.

  19. Metastable superheated ice in liquid-water inclusions under high negative pressure

    USGS Publications Warehouse

    Roedder, E.

    1967-01-01

    In some microscopic inclusions (consisting of aqueous liquid and vapor) in minerals, freezing eliminates the vapor phase because of greater volume occupied by the resulting ice. When vapor fails to nucleate again on partial melting, the resulting negative pressure (hydrostatic tension) inside the inclusions permits the existence of ice I crystals under reversible, metastable equilibrium, at temperatures as high as +6.5??C and negative pressures possibly exceeding 1000 bars.

  20. Periodical Micro-Structuring of Hydride Containing Metastable Aluminumoxide using Laser Interference Metallurgy

    SciTech Connect

    Veith, Michael; Andres, Katrin; Petersen, Christian; Daniel, Claus; Holzapfel, Christian; M�cklich, Frank

    2005-01-01

    Layers of the metastable ceramic HAlO are sensitive to heat: These layers transform to biphasic Al/Al2O3 due to elimination of di-hydrogen. Using interfering Nd:YAG laser beams, periodic patterns can be produced. By these methods two dimensional structuring is obtained with the characteristics of distinctly different phases and different chemical compositions at periodic places on the layer.

  1. Nonequilibrium antiferromagnetic mixed-spin Ising model.

    PubMed

    Godoy, Mauricio; Figueiredo, Wagner

    2002-09-01

    We studied an antiferromagnetic mixed-spin Ising model on the square lattice subject to two competing stochastic processes. The model system consists of two interpenetrating sublattices of spins sigma=1/2 and S=1, and we take only nearest neighbor interactions between pairs of spins. The system is in contact with a heat bath at temperature T, and the exchange of energy with the heat bath occurs via one-spin flip (Glauber dynamics). Besides, the system interacts with an external agency of energy, which supplies energy to it whenever two nearest neighboring spins are simultaneously flipped. By employing Monte Carlo simulations and a dynamical pair approximation, we found the phase diagram for the stationary states of the model in the plane temperature T versus the competition parameter between one- and two-spin flips p. We observed the appearance of three distinct phases, that are separated by continuous transition lines. We also determined the static critical exponents along these lines and we showed that this nonequilibrium model belongs to the universality class of the two-dimensional equilibrium Ising model.

  2. Multicriticality, metastability, and the roton feature in Bose-Einstein condensates with three-dimensional spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Liao, Renyuan; Fialko, Oleksandr; Brand, Joachim; Zülicke, Ulrich

    2015-10-01

    We theoretically study homogeneously trapped atomic Bose-Einstein condensates where all three-momentum components couple to a pseudo-spin-1/2 degree of freedom. Tuning the anisotropies of spin-orbit coupling and the spin-dependent interactions is shown to provide access to a rich phase diagram with a tetracritical point, first-order phase transitions, and multiple metastable phases of stripe and plane-wave character. The elementary excitation spectrum of the axial plane-wave phase features an anisotropic roton feature and can be used to probe the phase diagram. In addition to providing a versatile laboratory for studying fundamental concepts in statistical physics, the emergence of metastable phases creates new opportunities for observing false-vacuum decay and bubble nucleation in ultracold-atom experiments.

  3. Metastable Tetragonal CdWO4 Nanoparticles Synthesized with a Solvothermal Method

    SciTech Connect

    Rondinone, Adam Justin; Travaglini, Dustin H; Pawel, Michelle D; Mahurin, Shannon Mark; Dai, Sheng

    2007-01-01

    CdWO{sub 4} has only previously been reported in the monoclinic, or wolframite, phase. Here we report the first metastable, tetragonal or scheelite, CdWO4 nanopowder. The tetragonal CdWO{sub 4} was synthesized by a propylene glycol solvothermal method. The scheelite phase is stabilized by a combination of high surface area and surface complexation by the propylene glycol. The CdWO{sub 4} is stable at 1 bar to 300 C, and converts back to the monoclinic wolframite phase between 300 and 500 C. The nanopowder exhibits cubic morphology and the average particle size of the nanopowder is around 50 nm.

  4. Predicting out-of-Equilibrium Phase Behavior in the Dynamic Self-Assembly of Colloidal Crystals

    NASA Astrophysics Data System (ADS)

    Swan, James; Sherman, Zachary

    Crystals self-assembled from colloidal particles are useful in an array of well demonstrated applications. During fabrication however, gelation and glassification often leave these materials arrested in defective or disordered metastable states. We show how time-dependent, pulsed interparticle interactions can avoid kinetic barriers and yield well-ordered crystalline domains for a suspension of hard, spherical colloidal particles interacting through short-range attractions. This dynamic self-assembly process is analogous to the flashing Brownian rachet. Although this is an inherently unsteady, out-of-equilibrium process, we can predict its outcome using appropriate time averages of equilibrium equations of state. The predicted phase behavior is tested and validated by examining the fluid/crystal coexistence of such dynamically self-assembling dispersions in Brownian dynamics simulations of sedimentation equilibrium and homogeneous nucleation. We also show that our dynamic self-assembly scheme offers control and tunability over the crystal growth kinetics and can even stabilize nonequilibrium structures.

  5. Electrostatic trapping of metastable NH molecules

    SciTech Connect

    Hoekstra, Steven; Metsaelae, Markus; Zieger, Peter C.; Scharfenberg, Ludwig; Gilijamse, Joop J.; Meijer, Gerard; Meerakker, Sebastiaan Y. T. van de

    2007-12-15

    We report on the Stark deceleration and electrostatic trapping of {sup 14}NH (a{sup 1}{delta}) radicals. In the trap, the molecules are excited on the spin-forbidden A{sup 3}{pi}<-a{sup 1}{delta} transition and detected via their subsequent fluorescence to the X{sup 3}{sigma}{sup -} ground state. The 1/e trapping time is 1.4{+-}0.1 s, from which a lower limit of 2.7 s for the radiative lifetime of the a{sup 1}{delta}, v=0, J=2 state is deduced. The spectral profile of the molecules in the trapping field is measured to probe their spatial distribution. Electrostatic trapping of metastable NH followed by optical pumping of the trapped molecules to the electronic ground state is an important step toward accumulation of these radicals in a magnetic trap.

  6. A well-structured metastable ceria surface

    SciTech Connect

    Olbrich, R.; Pieper, H. H.; Oelke, R.; Wilkens, H.; Wollschläger, J.; Reichling, M.; Zoellner, M. H.; Schroeder, T.

    2014-02-24

    By the growth of a 180 nm thick film on Si(111), we produce a metastable ceria surface with a morphology dominated by terraced pyramids with an oriented triangular base. Changes in the nanoscale surface morphology and local surface potential due to annealing at temperatures ranging from 300 K to 1150 K in the ultra-high vacuum are studied with non-contact atomic force microscopy and Kelvin probe force microscopy. As the surface is stable in the temperature range of 300 K to 850 K, it is most interesting for applications requiring regular steps with a height of one O-Ce-O triple layer.

  7. Selective removal of either metastable species from a mixed 3P 0,2 rare-gas metastable beam

    NASA Technical Reports Server (NTRS)

    Dunning, F. B.; Cook, T. B.; West, W. P.; Stebbings, R. F.

    1975-01-01

    A tunable CW laser has been used to selectively remove either of the two metastable species, 3P 0,2, which are initially present in a neon metastable beam. The method is applicable to other rare gases and provides the opportunity for separate investigation of effects due to atoms in either the 3P 0 or 3P 2 state.

  8. Neutral atom lithography with metastable helium

    NASA Astrophysics Data System (ADS)

    Allred, Claire Shean

    In this dissertation we describe our performance of resist assisted neutral atom lithography using a bright beam of metastable 23S1 Helium (He*). Metastable Helium atoms have 20 eV of internal energy making them easy to detect and able to destroy a resist. The He* is produced by a reverse flow DC discharge source and then collimated with the bichromatic force, followed by three optical molasses velocity compression stages. The atoms in the resulting beam have a mean longitudinal velocity of 1125 m/s and a divergence of 1.1 mrad. The typical beam flux is 2 x 109 atoms/mm2s through a 0.1mm diameter aperture 70 cm away from the source. The internal energy of the atoms damages the molecules of a self assembled monolayer (SAM) of nonanethiol. The undisturbed SAM protects a 200 A layer of gold that has been evaporated onto a prepared Silicon wafer from a wet chemical etch. Two methods are used to pattern the He* atoms before they destroy the SAM. First, a Nickel micro mesh was used to protect the SAM. These experiments established an appropriate dosage and etch time for patterning. The samples were analyzed with an atomic force microscope and found to have an edge resolution of 63 nm. Then, patterning was accomplished using the dipole force the atoms experience while traversing a standing wave of lambda = 1083nm light tuned 500MHz below the 23S 1 → 23P2 transition. Depending on the intensity of the light, the He* atoms are focused or channeled into lines separated by lambda/2. The lines cover the entire exposed length of the substrate, about 3 mm. They are about 3 mm long, corresponding to about twice the beam waist of the laser standing wave. Thus there are 6 x 10 3 lines of length 5500lambda. These results agree with our numerical simulations of the experiment.

  9. Nonequilibrium radiative hypersonic flow simulation

    NASA Astrophysics Data System (ADS)

    Shang, J. S.; Surzhikov, S. T.

    2012-08-01

    Nearly all the required scientific disciplines for computational hypersonic flow simulation have been developed on the framework of gas kinetic theory. However when high-temperature physical phenomena occur beneath the molecular and atomic scales, the knowledge of quantum physics and quantum chemical-physics becomes essential. Therefore the most challenging topics in computational simulation probably can be identified as the chemical-physical models for a high-temperature gaseous medium. The thermal radiation is also associated with quantum transitions of molecular and electronic states. The radiative energy exchange is characterized by the mechanisms of emission, absorption, and scattering. In developing a simulation capability for nonequilibrium radiation, an efficient numerical procedure is equally important both for solving the radiative transfer equation and for generating the required optical data via the ab-initio approach. In computational simulation, the initial values and boundary conditions are paramount for physical fidelity. Precise information at the material interface of ablating environment requires more than just a balance of the fluxes across the interface but must also consider the boundary deformation. The foundation of this theoretic development shall be built on the eigenvalue structure of the governing equations which can be described by Reynolds' transport theorem. Recent innovations for possible aerospace vehicle performance enhancement via an electromagnetic effect appear to be very attractive. The effectiveness of this mechanism is dependent strongly on the degree of ionization of the flow medium, the consecutive interactions of fluid dynamics and electrodynamics, as well as an externally applied magnetic field. Some verified research results in this area will be highlighted. An assessment of all these most recent advancements in nonequilibrium modeling of chemical kinetics, chemical-physics kinetics, ablation, radiative exchange

  10. On Nonequilibrium Radiation in Hydrogen Shock Layers

    NASA Technical Reports Server (NTRS)

    Park, Chul

    2005-01-01

    The influence of thermochemical nonequilibrium in the shock layer over a vehicle entering the atmosphere of an outer planet is examined qualitatively. The state of understanding of the heating environment for the Galileo Probe vehicle is first reviewed. Next, the possible reasons for the high recession in the frustum region and the low recession in the stagnation region are examined. The state of understanding of the nonequilibrium in the hydrogen flow is then examined. For the entry flight in Neptune, the possible influence of nonequilibrium is predicted.

  11. New porous water ice metastable at atmospheric pressure obtained by emptying a hydrogen-filled ice.

    PubMed

    Del Rosso, Leonardo; Celli, Milva; Ulivi, Lorenzo

    2016-11-07

    The properties of some forms of water ice reserve still intriguing surprises. Besides the several stable or metastable phases of pure ice, solid mixtures of water with gases are precursors of other ices, as in some cases they may be emptied, leaving a metastable hydrogen-bound water structure. We present here the first characterization of a new form of ice, obtained from the crystalline solid compound of water and molecular hydrogen called C0-structure filled ice. By means of Raman spectroscopy, we measure the hydrogen release at different temperatures and succeed in rapidly removing all the hydrogen molecules, obtaining a new form of ice (ice XVII). Its structure is determined by means of neutron diffraction measurements. Of paramount interest is that the emptied crystal can adsorb again hydrogen and release it repeatedly, showing a temperature-dependent hysteresis.

  12. New porous water ice metastable at atmospheric pressure obtained by emptying a hydrogen-filled ice

    NASA Astrophysics Data System (ADS)

    Del Rosso, Leonardo; Celli, Milva; Ulivi, Lorenzo

    2016-11-01

    The properties of some forms of water ice reserve still intriguing surprises. Besides the several stable or metastable phases of pure ice, solid mixtures of water with gases are precursors of other ices, as in some cases they may be emptied, leaving a metastable hydrogen-bound water structure. We present here the first characterization of a new form of ice, obtained from the crystalline solid compound of water and molecular hydrogen called C0-structure filled ice. By means of Raman spectroscopy, we measure the hydrogen release at different temperatures and succeed in rapidly removing all the hydrogen molecules, obtaining a new form of ice (ice XVII). Its structure is determined by means of neutron diffraction measurements. Of paramount interest is that the emptied crystal can adsorb again hydrogen and release it repeatedly, showing a temperature-dependent hysteresis.

  13. New porous water ice metastable at atmospheric pressure obtained by emptying a hydrogen-filled ice

    PubMed Central

    del Rosso, Leonardo; Celli, Milva; Ulivi, Lorenzo

    2016-01-01

    The properties of some forms of water ice reserve still intriguing surprises. Besides the several stable or metastable phases of pure ice, solid mixtures of water with gases are precursors of other ices, as in some cases they may be emptied, leaving a metastable hydrogen-bound water structure. We present here the first characterization of a new form of ice, obtained from the crystalline solid compound of water and molecular hydrogen called C0-structure filled ice. By means of Raman spectroscopy, we measure the hydrogen release at different temperatures and succeed in rapidly removing all the hydrogen molecules, obtaining a new form of ice (ice XVII). Its structure is determined by means of neutron diffraction measurements. Of paramount interest is that the emptied crystal can adsorb again hydrogen and release it repeatedly, showing a temperature-dependent hysteresis. PMID:27819265

  14. Metastable epitaxial magnets: A study of growth and magnetic properties

    NASA Astrophysics Data System (ADS)

    Wu, Stella Zhong

    1997-11-01

    Recent advancement in the information storage industry is demanding more fundamental understanding of magnetic systems, especially the magnetic thin films, surfaces, and interfaces. In this work, we were focusing on ultrathin ferromagnetic thin films of Ni on Cu(100), Cu(110) and Cu(111) single crystal substrates, and FeNi and CoNi binary alloy films on Cu(100) with varying atomic concentration. The growth of these films by molecular beam epitaxy was monitored using a number of experimental techniques. A pseudomorphic layer-by-layer growth was achieved which resulted in an fcc metastable crystalline structure with a ferromagnetic phase. The magnetic anisotropy behavior of these thin films was monitored using surface magneto-optic Kerr effect magnetometer at both polar and longitudinal geometries, and various spin reorientation transitions were found. The measurements of Curie temperature as a variation of film thickness as well as atomic concentration resulted in the proposal of a finite-size scaling law. By using this scaling law, the bulk Curie temperature for these metastable fcc binary alloys can be extrapolated, showing that Fe atoms exist in a low-spin ferromagnetic phase. In the Ni films, a dimensionality crossover from bulk to a 2-dimensional system at a few monolayer thickness was established. By alloying, we have been able to tune the electron occupation number in the 3d band. Combined with the 3d electronic band structure information we have gained by using ultraviolet photoemission spectroscopy study of these systems at normal emission, a conclusion of continuous band filling in CoNi alloy system was drawn. However, FeNi films show a different behavior at a certain composition. The recent collaboration with synchrotron radiation facility has enabled us to quantitatively characterize the spin moment and orbital moment from each element. An x-ray magnetic circular dichroism (XMCD) study was performed on CoNi alloy system, and resulted in the conclusion of

  15. Universal Nonequilibrium Properties of Dissipative Rydberg Gases

    NASA Astrophysics Data System (ADS)

    Marcuzzi, Matteo; Levi, Emanuele; Diehl, Sebastian; Garrahan, Juan P.; Lesanovsky, Igor

    2014-11-01

    We investigate the out-of-equilibrium behavior of a dissipative gas of Rydberg atoms that features a dynamical transition between two stationary states characterized by different excitation densities. We determine the structure and properties of the phase diagram and identify the universality class of the transition, both for the statics and the dynamics. We show that the proper dynamical order parameter is in fact not the excitation density and find evidence that the dynamical transition is in the "model A " universality class; i.e., it features a nontrivial Z2 symmetry and a dynamics with nonconserved order parameter. This sheds light on some relevant and observable aspects of dynamical transitions in Rydberg gases. In particular it permits a quantitative understanding of a recent experiment [C. Carr, Phys. Rev. Lett. 111, 113901 (2013)] which observed bistable behavior as well as power-law scaling of the relaxation time. The latter emerges not due to critical slowing down in the vicinity of a second order transition, but from the nonequilibrium dynamics near a so-called spinodal line.

  16. Universal nonequilibrium properties of dissipative Rydberg gases.

    PubMed

    Marcuzzi, Matteo; Levi, Emanuele; Diehl, Sebastian; Garrahan, Juan P; Lesanovsky, Igor

    2014-11-21

    We investigate the out-of-equilibrium behavior of a dissipative gas of Rydberg atoms that features a dynamical transition between two stationary states characterized by different excitation densities. We determine the structure and properties of the phase diagram and identify the universality class of the transition, both for the statics and the dynamics. We show that the proper dynamical order parameter is in fact not the excitation density and find evidence that the dynamical transition is in the "model A" universality class; i.e., it features a nontrivial Z2 symmetry and a dynamics with nonconserved order parameter. This sheds light on some relevant and observable aspects of dynamical transitions in Rydberg gases. In particular it permits a quantitative understanding of a recent experiment [C. Carr, Phys. Rev. Lett. 111, 113901 (2013)] which observed bistable behavior as well as power-law scaling of the relaxation time. The latter emerges not due to critical slowing down in the vicinity of a second order transition, but from the nonequilibrium dynamics near a so-called spinodal line.

  17. Nonequilibrium Quantum Systems: Fluctuations and Interactions

    NASA Astrophysics Data System (ADS)

    Subasi, Yigit

    We explore some aspects of nonequilibrium statistical mechanics of classical and quantum systems. Two chapters are devoted to fluctuation theorems which were originally derived for classical systems. The main challenge in formulating them in quantum mechanics is the fact that fundamental quantities of interest, like work, are defined via the classical concept of a phase space trajectory. We utilize the decoherent histories conceptual framework, in which classical trajectories emerge in quantum mechanics as a result of coarse graining, and provide a first-principles analysis of the nonequilibrium work relation of Jarzynski and Crooks's fluctuation theorem for a quantum system interacting with a general environment based on the quantum Brownian motion (QBM) model. We indicate a parameter range at low temperatures where the theorems might fail in their original form. Fluctuation theorems of Jarzynski and Crooks for systems obeying classical Hamiltonian dynamics are derived under the assumption that the initial conditions are sampled from a canonical ensemble, even though the equilibrium state of an isolated system is typically associated with the microcanonical ensemble. We address this issue through an exact analysis of the classical Brownian motion model. We argue that a stronger form of ensemble equivalence than usually discussed in equilibrium statistical mechanics is required for these theorems to hold in the infinite environment limit irrespective of the ensemble used, and proceed to prove it for this model. An exact expression for the probability distribution of work is obtained for finite environments. Intuitively one expects a system to relax to an equilibrium state when brought into contact with a thermal environment. Yet it is important to have rigorous results that provide conditions for equilibration and characterize the equilibrium state. We consider the dynamics of open quantum systems using the Langevin and master equations and rigorously show that

  18. Nonequilibrium thermodynamics of interacting tunneling transport: variational grand potential, density functional formulation and nature of steady-state forces.

    PubMed

    Hyldgaard, P

    2012-10-24

    The standard formulation of tunneling transport rests on an open-boundary modeling. There, conserving approximations to nonequilibrium Green function or quantum statistical mechanics provide consistent but computational costly approaches; alternatively, the use of density-dependent ballistic-transport calculations (e.g., Lang 1995 Phys. Rev. B 52 5335), here denoted 'DBT', provides computationally efficient (approximate) atomistic characterizations of the electron behavior but has until now lacked a formal justification. This paper presents an exact, variational nonequilibrium thermodynamic theory for fully interacting tunneling and provides a rigorous foundation for frozen-nuclei DBT calculations as a lowest-order approximation to an exact nonequilibrium thermodynamic density functional evaluation. The theory starts from the complete electron nonequilibrium quantum statistical mechanics and I identify the operator for the nonequilibrium Gibbs free energy which, generally, must be treated as an implicit solution of the fully interacting many-body dynamics. I demonstrate a minimal property of a functional for the nonequilibrium thermodynamic grand potential which thus uniquely identifies the solution as the exact nonequilibrium density matrix. I also show that the uniqueness-of-density proof from a closely related Lippmann-Schwinger collision density functional theory (Hyldgaard 2008 Phys. Rev. B 78 165109) makes it possible to express the variational nonequilibrium thermodynamic description as a single-particle formulation based on universal electron-density functionals; the full nonequilibrium single-particle formulation improves the DBT method, for example, by a more refined account of Gibbs free energy effects. I illustrate a formal evaluation of the zero-temperature thermodynamic grand potential value which I find is closely related to the variation in the scattering phase shifts and hence to Friedel density oscillations. This paper also discusses the

  19. Nonequilibrium thermodynamics of interacting tunneling transport: variational grand potential, density functional formulation and nature of steady-state forces

    NASA Astrophysics Data System (ADS)

    Hyldgaard, P.

    2012-10-01

    The standard formulation of tunneling transport rests on an open-boundary modeling. There, conserving approximations to nonequilibrium Green function or quantum statistical mechanics provide consistent but computational costly approaches; alternatively, the use of density-dependent ballistic-transport calculations (e.g., Lang 1995 Phys. Rev. B 52 5335), here denoted ‘DBT’, provides computationally efficient (approximate) atomistic characterizations of the electron behavior but has until now lacked a formal justification. This paper presents an exact, variational nonequilibrium thermodynamic theory for fully interacting tunneling and provides a rigorous foundation for frozen-nuclei DBT calculations as a lowest-order approximation to an exact nonequilibrium thermodynamic density functional evaluation. The theory starts from the complete electron nonequilibrium quantum statistical mechanics and I identify the operator for the nonequilibrium Gibbs free energy which, generally, must be treated as an implicit solution of the fully interacting many-body dynamics. I demonstrate a minimal property of a functional for the nonequilibrium thermodynamic grand potential which thus uniquely identifies the solution as the exact nonequilibrium density matrix. I also show that the uniqueness-of-density proof from a closely related Lippmann-Schwinger collision density functional theory (Hyldgaard 2008 Phys. Rev. B 78 165109) makes it possible to express the variational nonequilibrium thermodynamic description as a single-particle formulation based on universal electron-density functionals; the full nonequilibrium single-particle formulation improves the DBT method, for example, by a more refined account of Gibbs free energy effects. I illustrate a formal evaluation of the zero-temperature thermodynamic grand potential value which I find is closely related to the variation in the scattering phase shifts and hence to Friedel density oscillations. This paper also discusses the

  20. Network inference in the nonequilibrium steady state

    NASA Astrophysics Data System (ADS)

    Dettmer, Simon L.; Nguyen, H. Chau; Berg, Johannes

    2016-11-01

    Nonequilibrium systems lack an explicit characterization of their steady state like the Boltzmann distribution for equilibrium systems. This has drastic consequences for the inference of the parameters of a model when its dynamics lacks detailed balance. Such nonequilibrium systems occur naturally in applications like neural networks and gene regulatory networks. Here, we focus on the paradigmatic asymmetric Ising model and show that we can learn its parameters from independent samples of the nonequilibrium steady state. We present both an exact inference algorithm and a computationally more efficient, approximate algorithm for weak interactions based on a systematic expansion around mean-field theory. Obtaining expressions for magnetizations and two- and three-point spin correlations, we establish that these observables are sufficient to infer the model parameters. Further, we discuss the symmetries characterizing the different orders of the expansion around the mean field and show how different types of dynamics can be distinguished on the basis of samples from the nonequilibrium steady state.

  1. Nonequilibrium Casimir-Polder plasmonic interactions

    SciTech Connect

    Bartolo, Nicola; Messina, Riccardo; Dalvit, Diego Alejandro Roberto; Intravaia, Francesco

    2016-04-18

    Here we investigate how the combination of nonequilibrium effects and material properties impacts on the Casimir-Polder interaction between an atom and a surface. By addressing systems with temperature inhomogeneities and laser interactions, we show that nonmonotonous energetic landscapes can be produced where barriers and minima appear. Lastly, our treatment provides a self-consistent quantum theoretical framework for investigating the properties of a class of nonequilibrium atom-surface interactions.

  2. Quantum thermodynamics: a nonequilibrium Green's function approach.

    PubMed

    Esposito, Massimiliano; Ochoa, Maicol A; Galperin, Michael

    2015-02-27

    We establish the foundations of a nonequilibrium theory of quantum thermodynamics for noninteracting open quantum systems strongly coupled to their reservoirs within the framework of the nonequilibrium Green's functions. The energy of the system and its coupling to the reservoirs are controlled by a slow external time-dependent force treated to first order beyond the quasistatic limit. We derive the four basic laws of thermodynamics and characterize reversible transformations. Stochastic thermodynamics is recovered in the weak coupling limit.

  3. Aerospace Applications of Non-Equilibrium Plasma

    NASA Technical Reports Server (NTRS)

    Blankson, Isaiah M.

    2016-01-01

    Nonequilibrium plasma/non-thermal plasma/cold plasmas are being used in a wide range of new applications in aeronautics, active flow control, heat transfer reduction, plasma-assisted ignition and combustion, noise suppression, and power generation. Industrial applications may be found in pollution control, materials surface treatment, and water purification. In order for these plasma processes to become practical, efficient means of ionization are necessary. A primary challenge for these applications is to create a desired non-equilibrium plasma in air by preventing the discharge from transitioning into an arc. Of particular interest is the impact on simulations and experimental data with and without detailed consideration of non-equilibrium effects, and the consequences of neglecting non-equilibrium. This presentation will provide an assessment of the presence and influence of non-equilibrium phenomena for various aerospace needs and applications. Specific examples to be considered will include the forward energy deposition of laser-induced non-equilibrium plasmoids for sonic boom mitigation, weakly ionized flows obtained from pulsed nanosecond discharges for an annular Hall type MHD generator duct for turbojet energy bypass, and fundamental mechanisms affecting the design and operation of novel plasma-assisted reactive systems in dielectric liquids (water purification, in-pipe modification of fuels, etc.).

  4. Dielectric breakdown and avalanches at nonequilibrium metal-insulator transitions.

    PubMed

    Shekhawat, Ashivni; Papanikolaou, Stefanos; Zapperi, Stefano; Sethna, James P

    2011-12-30

    Motivated by recent experiments on the finite temperature Mott transition in VO(2) films, we propose a classical coarse-grained dielectric breakdown model where each degree of freedom represents a nanograin which transitions from insulator to metal with increasing temperature and voltage at random thresholds due to quenched disorder. We describe the properties of the resulting nonequilibrium metal-insulator transition and explain the universal characteristics of the resistance jump distribution. We predict that by tuning voltage, another critical point is approached, which separates a phase of boltlike avalanches from percolationlike ones.

  5. First principles nonequilibrium plasma mixing

    NASA Astrophysics Data System (ADS)

    Ticknor, C.; Herring, S. D.; Lambert, F.; Collins, L. A.; Kress, J. D.

    2014-01-01

    We have performed nonequilibrium classical and quantum-mechanical molecular dynamics simulations that follow the interpenetration of deuterium-tritium (DT) and carbon (C) components through an interface initially in hydrostatic and thermal equilibrium. We concentrate on the warm, dense matter regime with initial densities of 2.5-5.5 g/cm3 and temperatures from 10 to 100 eV. The classical treatment employs a Yukawa pair-potential with the parameters adjusted to the plasma conditions, and the quantum treatment rests on an orbital-free density functional theory at the Thomas-Fermi-Dirac level. For times greater than about a picosecond, the component concentrations evolve in accordance with Fick's law for a classically diffusing fluid with the motion, though, described by the mutual diffusion coefficient of the mixed system rather than the self-diffusion of the individual components. For shorter times, microscopic processes control the clearly non-Fickian dynamics and require a detailed representation of the electron probability density in space and time.

  6. Energetic Particle Synthesis of Metastable Layers for Superior Mechanical Properties

    SciTech Connect

    Follstaedt, D.M.; Knapp, J.A.; Myers, S.M.; Dugger, M.T.; Friedmann, T.A.; Sullivan, J.P.; Monteiro, O.R.; Ager, J.W. III; Brown, I.G.; Christenson, T.

    1998-01-01

    Energetic particle methods have been used to synthesize two metastable layers with superior mechanical properties: amorphous Ni implanted with overlapping Ti and C, and amorphous diamond-like carbon (DLC) formed by vacuum-arc deposition or pulsed laser deposition. Elastic modulus, yield stress and hardness were reliably determined for both materials by fitting finite-element simulations to the observed layer/substrate responses during nanoindentation. Both materials show exceptional properties, i.e., the yield stress of amorphous Ni(Ti,C) exceeds that of hardened steels and other metallic glasses, and the hardness of DLC (up to 88 GPa) approaches that of crystalline diamond (approx. 100 GPa). Tribological performance of the layers during unlubricated sliding contact appears favorable for treating Ni-based micro-electromechanical systems: stick-slip adhesion to Ni is eliminated, giving a low coefficient of friction (approx. 0.3-0.2) and greatly reduced wear. We discuss how energetic particle synthesis is critical to forming these phases and manipulating their properties for optimum performance.

  7. Metastable Polymerization of Sickle Hemoglobin in Droplets

    PubMed Central

    Aprelev, Alexey; Weng, Weijun; Zakharov, Mikhail; Rotter, Maria; Yosmanovich, Donna; Kwong, Suzanna; Briehl, Robin W.; Ferrone, Frank A.

    2007-01-01

    Sickle cell disease arises from a genetic mutation of one amino acid in each of the two hemoglobin β chains, leading to the polymerization of hemoglobin in the red cell upon deoxygenation, and is characterized by vascular crises and tissue damage due to the obstruction of small vessels by sickled cells. It has been an untested assumption that, in red cells that sickle, the growing polymer mass would consume monomers until the thermodynamically well-described monomer solubility was reached. By photolyzing droplets of sickle hemoglobin suspended in oil we find that polymerization does not exhaust the available store of monomers, but stops prematurely, leaving the solutions in a supersaturated, metastable state typically 20% above solubility at 37°C, though the particular values depend on the details of the experiment. We propose that polymer growth stops because the growing ends reach the droplet edge, whereas new polymer formation is thwarted by long nucleation times, since the hemoglobin concentration is lowered by depletion of monomers into the polymers that have formed. This finding suggests a new aspect to the pathophysiology of sickle cell disease, namely, that cells deoxygenated in the microcirculation are not merely undeformable, but will actively wedge themselves tightly against the walls of the microvasculature by a ratchet-like mechanism driven by the supersaturated solution. PMID:17493634

  8. The Importance of Kinetic Metastability: Some Common Everyday Examples

    ERIC Educational Resources Information Center

    Jensen, William B.

    2015-01-01

    The importance of kinetic metastability is illustrated in detail using several common household products and recommendations are made for how this important and widespread, but often neglected, phenomenon can be more effectively presented in the introductory chemistry textbook.

  9. Toward a Complementary Neuroscience: Metastable Coordination Dynamics of the Brain

    NASA Astrophysics Data System (ADS)

    Kelso, J. A. Scott; Tognoli, Emmanuelle

    Metastability has been proposed as a new principle of behavioral and brain function and may point the way to a truly complementary neuroscience. From elementary coordination dynamics we show explicitly that metastability is a result of a symmetry-breaking caused by the subtle interplay of two forces: the tendency of the components to couple together and the tendency of the components to express their intrinsic independent behavior. The metastable regime reconciles the well-known tendencies of specialized brain regions to express their autonomy (segregation) and the tendencies for those regions to work together as a synergy (integration). Integration ~ segregation is just one of the complementary pairs (denoted by the tilde [~] symbol) to emerge from the science of coordination dynamics. We discuss metastability in the brain by describing the favorable conditions existing for its emergence and by deriving some predictions for its empirical characterization in neurophysiological recordings.

  10. Emergent coherent structures in nonequilibrium field theory

    NASA Astrophysics Data System (ADS)

    Thorarinson, Joel Larus Marvin

    2008-10-01

    In this thesis we study the properties of time-dependent, nontopological configurations and their effect on the macroscopic properties of a system described by a nonlinear field theory. These structures seem to be ubiquitous in relativistic field theories with symmetry breaking scenarios and since they drastically change the power spectrum, understanding their properties and lifetimes is essential for characterization of the equilibration time scales of a given system. To understand the mechanisms of their creation we rely on large scale computations to solve the fully nonlinear equations of motion. By using both Langevin thermalization techniques and various ansatz we find information about both the individual formation and stability properties of these structures and their effect on global observables such as the decay rate of a metastable vacuum. Each of these aspects contains surprises and radical departures from the linearized theories. We also show examples of how these structures can be examined in momentum space from computing several correlation functions. We extend 2d results on the effect of these emergent structures to the decay rate of a false vacuum to 3d and confirm that these time-dependent structures modify the decay, after a quench, to a power law in pure scalar theories. Adding gauge fields, we present new time dependent nontopological solutions in the 2d Abelian Higgs model which show the creation of oscillons from vortex antivortex annihilations. A phase transition in configuration space is then constructed from the stability properties of these oscillons in parameter space. Similarly, in 3 d we show that oscillons may be formed through toroidal ux-tube annihilations. Finally, these properties are shown to also apply to more complex situations, such as the condensed proton-neutron system, which exhibits all the previous oscillon results as well as a new nontrivial vortex-vortex bound state.

  11. Note on the calculation of the second osmotic virial coefficient in stable and metastable liquid states.

    PubMed

    Widom, B; Koga, K

    2013-01-31

    The second osmotic virial coefficient is calculated from analytical equations of state as illustrated with the van der Waals two-component equation. It is shown that when the fixed solvent chemical potential or pressure at which the virial coefficient is calculated is taken to be that of the pure solvent in coexistence with its vapor, as in a recent report, the liquid solution is in a metastable state. When, by contrast, that fixed chemical potential or pressure is that of the pure solvent in its one-phase liquid state, the solution, with increasing solute concentration, is initially in a stable state; then, on crossing the liquid-vapor equilibrium line, it becomes metastable and ultimately approaches a spinodal and incipient instability. Nevertheless, in practice, as seen in a numerical illustration for a hydrocarbon dissolved in water, there is scarcely any difference in the virial coefficient calculated with the fixed solvent chemical potential or pressure of the pure solvent at its vapor pressure (metastable states of the solution) or at 1 bar (initially stable states). It is also seen in that example that the virial coefficient may be reliably calculated only for solute concentrations that are neither too small nor too large; typically only for mole fractions roughly from 10(-7) to 10(-3.5).

  12. Metastable supersymmetry breaking and dynamical vacuum selection in intersecting brane systems

    NASA Astrophysics Data System (ADS)

    Royston, Andrew B.

    In this thesis we study metastable supersymmetry breaking and dynamical vacuum selection in intersecting brane systems that are known to be useful for realizing supersymmetric gauge theories in string theory. Metastable supersymmetry breaking configurations of D-branes and NS5-branes in string theory often owe their existence to classical gravitational interactions between the branes. We show that in the effective theory of the light fields, these interactions give rise to a non-canonical Kahler potential and other D-terms. String theory provides a UV completion in which these non-renormalizable terms can be computed. We use these observations to clarify the relation between the phase structure of ISS-type models and their brane realizations. We then study dynamical vacuum selection in a system of D-branes localized near an intersection of Neveu-Schwarz fivebranes that is known to exhibit a rich landscape of supersymmetric and (metastable) supersymmetry breaking vacua. We show that early universe cosmology, in the form of excited fivebranes relaxing via Hawking radiation, drives the system to a particular long-lived supersymmetry breaking ground state.

  13. Microstructure of metastable metallic alloy films produced by laser breakdown chemical vapor deposition and ion implantation

    SciTech Connect

    Menon, S.K.; Jervis, T.R.; Nastasi, M.

    1986-01-01

    Thin films produced by laser breakdown chemical vapor deposition from nickel and iron carbonyls and by implanting Ni foils with varying levels of C have been characterized by transmission electron microscopy. Decomposition of Ni(CO)/sub 4/ produces polycrystalline films of fcc Ni and metastable ordered hexagonal Ni/sub 3/C. This metastable phase is identical to that produced by gas carburization, rapid solidification of Ni-C melts, and ion implantation of C into Ni at low concentrations. Increasing the H/sub 2/ content in the gas mixture during laser deposition reduces the grain size of the films significantly with grain sizes smaller than 10 nanometers produced. Laser decomposition of Fe(CO)/sub 5/ produces films with islands of fcc gamma-Fe and finely dispersed metastable Fe/sub 3/C (Cementite). In addition, the ferrous oxides Fe/sub 2/O/sub 3/ and Fe/sub 3/O/sub 4/ were found in these samples. Implants of C into pure Ni foils at 77/sup 0/K and at a concentration of 35 at. % produced amorphous layers. Implants at the same dose at room temperature did not produce amorphous layers.

  14. Metastable tantalum oxide formation during the devitrification of amorphous tantalum thin films

    DOE PAGES

    Donaldson, Olivia K.; Hattar, Khalid; Trelewicz, Jason R.

    2016-07-04

    Microstructural evolution during the devitrification of amorphous tantalum thin films synthesized via pulsed laser deposition was investigated using in situ transmission electron microscopy (TEM) combined with ex situ isothermal annealing, bright-field imaging, and electron-diffraction analysis. The phases formed during crystallization and their stability were characterized as a function of the chamber pressure during deposition, devitrification temperature, and annealing time. A range of metastable nanocrystalline tantalum oxides were identified following devitrification including multiple orthorhombic oxide phases, which often were present with, or evolved to, the tetragonal TaO2 phase. While the appearance of these phases indicated the films were evolving to themore » stable form of tantalum oxide—monoclinic tantalum pentoxide—it was likely not achieved for the conditions considered due to an insufficient amount of oxygen present in the films following deposition. Nevertheless, the collective in situ and ex situ TEM analysis applied to thin film samples enabled the isolation of a number of metastable tantalum oxides. As a result, new insights were gained into the transformation sequence and stability of these nanocrystalline phases, which presents opportunities for the development of advanced tantalum oxide-based dielectric materials for novel memristor designs.« less

  15. Metastable tantalum oxide formation during the devitrification of amorphous tantalum thin films

    SciTech Connect

    Donaldson, Olivia K.; Hattar, Khalid; Trelewicz, Jason R.

    2016-07-04

    Microstructural evolution during the devitrification of amorphous tantalum thin films synthesized via pulsed laser deposition was investigated using in situ transmission electron microscopy (TEM) combined with ex situ isothermal annealing, bright-field imaging, and electron-diffraction analysis. The phases formed during crystallization and their stability were characterized as a function of the chamber pressure during deposition, devitrification temperature, and annealing time. A range of metastable nanocrystalline tantalum oxides were identified following devitrification including multiple orthorhombic oxide phases, which often were present with, or evolved to, the tetragonal TaO2 phase. While the appearance of these phases indicated the films were evolving to the stable form of tantalum oxide—monoclinic tantalum pentoxide—it was likely not achieved for the conditions considered due to an insufficient amount of oxygen present in the films following deposition. Nevertheless, the collective in situ and ex situ TEM analysis applied to thin film samples enabled the isolation of a number of metastable tantalum oxides. As a result, new insights were gained into the transformation sequence and stability of these nanocrystalline phases, which presents opportunities for the development of advanced tantalum oxide-based dielectric materials for novel memristor designs.

  16. Non-equilibrium thermodynamical description of rhythmic motion patterns of active systems: a canonical-dissipative approach.

    PubMed

    Dotov, D G; Kim, S; Frank, T D

    2015-02-01

    We derive explicit expressions for the non-equilibrium thermodynamical variables of a canonical-dissipative limit cycle oscillator describing rhythmic motion patterns of active systems. These variables are statistical entropy, non-equilibrium internal energy, and non-equilibrium free energy. In particular, the expression for the non-equilibrium free energy is derived as a function of a suitable control parameter. The control parameter determines the Hopf bifurcation point of the deterministic active system and describes the effective pumping of the oscillator. In analogy to the equilibrium free energy of the Landau theory, it is shown that the non-equilibrium free energy decays as a function of the control parameter. In doing so, a similarity between certain equilibrium and non-equilibrium phase transitions is pointed out. Data from an experiment on human rhythmic movements is presented. Estimates for pumping intensity as well as the thermodynamical variables are reported. It is shown that in the experiment the non-equilibrium free energy decayed when pumping intensity was increased, which is consistent with the theory. Moreover, pumping intensities close to zero could be observed at relatively slow intended rhythmic movements. In view of the Hopf bifurcation underlying the limit cycle oscillator model, this observation suggests that the intended limit cycle movements were actually more similar to trajectories of a randomly perturbed stable focus.

  17. Nonequilibrium Statistical Mechanics in One Dimension

    NASA Astrophysics Data System (ADS)

    Privman, Vladimir

    2005-08-01

    Part I. Reaction-Diffusion Systems and Models of Catalysis; 1. Scaling theories of diffusion-controlled and ballistically-controlled bimolecular reactions S. Redner; 2. The coalescence process, A+A->A, and the method of interparticle distribution functions D. ben-Avraham; 3. Critical phenomena at absorbing states R. Dickman; Part II. Kinetic Ising Models; 4. Kinetic ising models with competing dynamics: mappings, correlations, steady states, and phase transitions Z. Racz; 5. Glauber dynamics of the ising model N. Ito; 6. 1D Kinetic ising models at low temperatures - critical dynamics, domain growth, and freezing S. Cornell; Part III. Ordering, Coagulation, Phase Separation; 7. Phase-ordering dynamics in one dimension A. J. Bray; 8. Phase separation, cluster growth, and reaction kinetics in models with synchronous dynamics V. Privman; 9. Stochastic models of aggregation with injection H. Takayasu and M. Takayasu; Part IV. Random Sequential Adsorption and Relaxation Processes; 10. Random and cooperative sequential adsorption: exactly solvable problems on 1D lattices, continuum limits, and 2D extensions J. W. Evans; 11. Lattice models of irreversible adsorption and diffusion P. Nielaba; 12. Deposition-evaporation dynamics: jamming, conservation laws and dynamical diversity M. Barma; Part V. Fluctuations In Particle and Surface Systems; 13. Microscopic models of macroscopic shocks S. A. Janowsky and J. L. Lebowitz; 14. The asymmetric exclusion model: exact results through a matrix approach B. Derrida and M. R. Evans; 15. Nonequilibrium surface dynamics with volume conservation J. Krug; 16. Directed walks models of polymers and wetting J. Yeomans; Part VI. Diffusion and Transport In One Dimension; 17. Some recent exact solutions of the Fokker-Planck equation H. L. Frisch; 18. Random walks, resonance, and ratchets C. R. Doering and T. C. Elston; 19. One-dimensional random walks in random environment K. Ziegler; Part VII. Experimental Results; 20. Diffusion

  18. Nonequilibrium Statistical Mechanics in One Dimension

    NASA Astrophysics Data System (ADS)

    Privman, Vladimir

    1997-02-01

    Part I. Reaction-Diffusion Systems and Models of Catalysis; 1. Scaling theories of diffusion-controlled and ballistically-controlled bimolecular reactions S. Redner; 2. The coalescence process, A+A->A, and the method of interparticle distribution functions D. ben-Avraham; 3. Critical phenomena at absorbing states R. Dickman; Part II. Kinetic Ising Models; 4. Kinetic ising models with competing dynamics: mappings, correlations, steady states, and phase transitions Z. Racz; 5. Glauber dynamics of the ising model N. Ito; 6. 1D Kinetic ising models at low temperatures - critical dynamics, domain growth, and freezing S. Cornell; Part III. Ordering, Coagulation, Phase Separation; 7. Phase-ordering dynamics in one dimension A. J. Bray; 8. Phase separation, cluster growth, and reaction kinetics in models with synchronous dynamics V. Privman; 9. Stochastic models of aggregation with injection H. Takayasu and M. Takayasu; Part IV. Random Sequential Adsorption and Relaxation Processes; 10. Random and cooperative sequential adsorption: exactly solvable problems on 1D lattices, continuum limits, and 2D extensions J. W. Evans; 11. Lattice models of irreversible adsorption and diffusion P. Nielaba; 12. Deposition-evaporation dynamics: jamming, conservation laws and dynamical diversity M. Barma; Part V. Fluctuations In Particle and Surface Systems; 13. Microscopic models of macroscopic shocks S. A. Janowsky and J. L. Lebowitz; 14. The asymmetric exclusion model: exact results through a matrix approach B. Derrida and M. R. Evans; 15. Nonequilibrium surface dynamics with volume conservation J. Krug; 16. Directed walks models of polymers and wetting J. Yeomans; Part VI. Diffusion and Transport In One Dimension; 17. Some recent exact solutions of the Fokker-Planck equation H. L. Frisch; 18. Random walks, resonance, and ratchets C. R. Doering and T. C. Elston; 19. One-dimensional random walks in random environment K. Ziegler; Part VII. Experimental Results; 20. Diffusion

  19. Synergistic stabilization of metastable Fe{sub 23}B{sub 6} and γ-Fe in undercooled Fe{sub 83}B{sub 17}

    SciTech Connect

    Quirinale, D. G.; Rustan, G. E.; Kreyssig, A.; Goldman, A. I.

    2015-06-15

    Previous investigations of undercooled liquid Fe{sub 83}B{sub 17} near the eutectic composition have found that metastable crystalline phases, such as Fe{sub 23}B{sub 6}, can be formed and persist down to ambient temperature even for rather modest cooling rates. Using time-resolved high-energy x-ray diffraction on electrostatically levitated samples of Fe{sub 83}B{sub 17}, we demonstrate that the Fe{sub 23}B{sub 6} metastable phase and fcc γ-Fe grow coherently from the undercooled Fe{sub 83}B{sub 17} liquid and effectively suppress the formation of the equilibrium Fe{sub 2}B + bcc α-Fe phases. The stabilization of γ-Fe offers another opportunity for experimental investigations of magnetism in metastable fcc iron.

  20. Control of the electronic phase of a manganite by mode-selective vibrational excitation.

    PubMed

    Rini, Matteo; Tobey, Ra'anan; Dean, Nicky; Itatani, Jiro; Tomioka, Yasuhide; Tokura, Yoshinori; Schoenlein, Robert W; Cavalleri, Andrea

    2007-09-06

    Controlling a phase of matter by coherently manipulating specific vibrational modes has long been an attractive (yet elusive) goal for ultrafast science. Solids with strongly correlated electrons, in which even subtle crystallographic distortions can result in colossal changes of the electronic and magnetic properties, could be directed between competing phases by such selective vibrational excitation. In this way, the dynamics of the electronic ground state of the system become accessible, and new insight into the underlying physics might be gained. Here we report the ultrafast switching of the electronic phase of a magnetoresistive manganite via direct excitation of a phonon mode at 71 meV (17 THz). A prompt, five-order-of-magnitude drop in resistivity is observed, associated with a non-equilibrium transition from the stable insulating phase to a metastable metallic phase. In contrast with light-induced and current-driven phase transitions, the vibrationally driven bandgap collapse observed here is not related to hot-carrier injection and is uniquely attributed to a large-amplitude Mn-O distortion. This corresponds to a perturbation of the perovskite-structure tolerance factor, which in turn controls the electronic bandwidth via inter-site orbital overlap. Phase control by coherent manipulation of selected metal-oxygen phonons should find extensive application in other complex solids--notably in copper oxide superconductors, in which the role of Cu-O vibrations on the electronic properties is currently controversial.

  1. Exact free energy functional for a driven diffusive open stationary nonequilibrium system.

    PubMed

    Derrida, B; Lebowitz, J L; Speer, E R

    2002-07-15

    We obtain the exact probability exp[-LF([rho(x)])] of finding a macroscopic density profile rho(x) in the stationary nonequilibrium state of an open driven diffusive system, when the size of the system L-->infinity. F, which plays the role of a nonequilibrium free energy, has a very different structure from that found in the purely diffusive case. As there, F is nonlocal, but the shocks and dynamic phase transitions of the driven system are reflected in nonconvexity of F, in discontinuities in its second derivatives, and in non-Gaussian fluctuations in the steady state.

  2. Exact Free Energy Functional for a Driven Diffusive Open Stationary Nonequilibrium System

    NASA Astrophysics Data System (ADS)

    Derrida, B.; Lebowitz, J. L.; Speer, E. R.

    2002-06-01

    We obtain the exact probability exp[-LF({ρ(x)})] of finding a macroscopic density profile ρ(x) in the stationary nonequilibrium state of an open driven diffusive system, when the size of the system L-->∞. F, which plays the role of a nonequilibrium free energy, has a very different structure from that found in the purely diffusive case. As there, F is nonlocal, but the shocks and dynamic phase transitions of the driven system are reflected in nonconvexity of F, in discontinuities in its second derivatives, and in non-Gaussian fluctuations in the steady state.

  3. New Nonequilibrium-to-Equilibrium Dynamical Scaling and Stretched-Exponential Critical Relaxation in Cluster Algorithms

    NASA Astrophysics Data System (ADS)

    Nonomura, Yoshihiko

    2014-11-01

    Nonequilibrium relaxation behaviors in the Ising model on a square lattice based on the Wolff algorithm are totally different from those based on local-update algorithms. In particular, the critical relaxation is described by the stretched-exponential decay. We propose a novel scaling procedure to connect nonequilibrium and equilibrium behaviors continuously, and find that the stretched-exponential scaling region in the Wolff algorithm is as wide as the power-law scaling region in local-update algorithms. We also find that relaxation to the spontaneous magnetization in the ordered phase is characterized by the exponential decay, not the stretched-exponential decay based on local-update algorithms.

  4. Nonequilibrium 2-Hydroxyoctadecanoic Acid Monolayers: Effect of Electrolytes

    SciTech Connect

    Lendrum, Conrad D.; Ingham, Bridget; Lin, Binhua; Meron, Mati; Toney, Michael F.; McGrath, Kathryn M.

    2012-02-06

    2-Hydroxyacids display complex monolayer phase behavior due to the additional hydrogen bonding afforded by the presence of the second hydroxy group. The placement of this group at the position {alpha} to the carboxylic acid functionality also introduces the possibility of chelation, a utility important in crystallization including biomineralization. Biomineralization, like many biological processes, is inherently a nonequilibrium process. The nonequilibrium monolayer phase behavior of 2-hydroxyoctadecanoic acid was investigated on each of pure water, calcium chloride, sodium bicarbonate and calcium carbonate crystallizing subphases as a precursor study to a model calcium carbonate biomineralizing system, each at a pH of {approx}6. The role of the bicarbonate co-ion in manipulating the monolayer structure was determined by comparison with monolayer phase behavior on a sodium chloride subphase. Monolayer phase behavior was probed using surface pressure/area isotherms, surface potential, Brewster angle microscopy, and synchrotron-based grazing incidence X-ray diffraction and X-ray reflectivity. Complex phase behavior was observed for all but the sodium chloride subphase with hydrogen bonding, electrostatic and steric effects defining the symmetry of the monolayer. On a pure water subphase hydrogen bonding dominates with three phases coexisting at low pressures. Introduction of calcium ions into the aqueous subphase ensures strong cation binding to the surfactant head groups through chelation. The monolayer becomes very unstable in the presence of bicarbonate ions within the subphase due to short-range hydrogen bonding interactions between the monolayer and bicarbonate ions facilitated by the sodium cation enhancing surfactant solubility. The combined effects of electrostatics and hydrogen bonding are observed on the calcium carbonate crystallizing subphase.

  5. Effects of ROS and RNS in non-equilibrium plasma enhanced oxidizing and nitriding

    NASA Astrophysics Data System (ADS)

    Datsyuk, Vitaly; Izmailov, Igor; Naumov, Vadym; Khomich, Vladimir; Tsiolko, Vyacheslav

    2016-09-01

    Plasma enhanced oxidizing and nitriding processes are of great interest for physics and applications. However, despite all advances in plasma technology, mechanisms of non-equilibrium plasma chemistry are not quite clear, particularly concerning reactive oxygen and nitrogen species (ROS/RNS) in metastable states. We tried to study this matter more detail. Experiments were done in a low temperature magnetron with a non-self-sustained glow discharge in oxygen/nitrogen/argon mixtures, employing electrical and optical diagnostics. Measurements showed that plasma processing is accompanied by the formation of electronically excited particles ROS/RNS. Computer modeling by using 0D-kinetic and 1D-fluid models including ionization, excitation, dissociation-recombination, vibrational relaxation, collisional quenching and radiation revealed the most probable mechanisms of plasma-chemical transformations. Effects of metastables of singlet oxygen O2*(a,b)and nitrogen N2*(A)as well as small but important radicals O*(1 D), N*(2 D) were also examined. Our study confirms the role of ROS/RNS in plasma kinetics and indicates the way toward more efficient oxygen and nitrogen plasma processing.

  6. Nonequilibrium models for predicting forms of precipitated manganese oxides

    USGS Publications Warehouse

    Hem, J.D.; Lind, Carol J.

    1983-01-01

    Manganese oxides precipitated by bubbling air through 0.01 molar solutions of MnCl2, Mn(NO3)2, MnSO4, or Mn(ClO4)2 at a constantly maintained pH of 8.5 to 9.5 at temperatures of 25??C or higher consisted mainly of hausmannite, Mn3O4. At temperatures near 0??C, but with other conditions the same, the product is feitknechtite, ??MnOOH, except that if the initial solution is MnSO4 and the temperature is near 0??C the product is a mixture of manganite, ??MnOOH and groutite, ??MnOOH. All these oxides are metastable in aerated solution and alter by irreversible processes to more highly oxidized species during aging. A two-step nonequilibrium thermodynamic model predicts that the least stable species, ??MnOOH, should be most readily converted to MnO2. Some preparations of ??MnOOH aged in their native solution at 5??C attained a manganese oxidation state of +3.3 or more after 7 months. Hausmannite aged at 25??C altered to ??MnOOH. The latter is more stable than a or ??MnOOH, and manganese oxidation states above 3.0 were not reached in hausmannite precipitates during 4 months of aging. Initial precipitation of MnCO3 rather than a form of oxide is likely only where oxygen availability is very low. Composition of solutions and oxidation state and morphology of solids were determined during the aging process by chemical analyses, X-ray and electron diffraction and transmission electron micrographs. ?? 1983.

  7. Tailoring non-equilibrium atmospheric pressure plasmas for healthcare technologies

    NASA Astrophysics Data System (ADS)

    Gans, Timo

    2012-10-01

    Non-equilibrium plasmas operated at ambient atmospheric pressure are very efficient sources for energy transport through reactive neutral particles (radicals and metastables), charged particles (ions and electrons), UV radiation, and electro-magnetic fields. This includes the unique opportunity to deliver short-lived highly reactive species such as atomic oxygen and atomic nitrogen. Reactive oxygen and nitrogen species can initiate a wide range of reactions in biochemical systems, both therapeutic and toxic. The toxicological implications are not clear, e.g. potential risks through DNA damage. It is anticipated that interactions with biological systems will be governed through synergies between two or more species. Suitable optimized plasma sources are improbable through empirical investigations. Quantifying the power dissipation and energy transport mechanisms through the different interfaces from the plasma regime to ambient air, towards the liquid interface and associated impact on the biological system through a new regime of liquid chemistry initiated by the synergy of delivering multiple energy carrying species, is crucial. The major challenge to overcome the obstacles of quantifying energy transport and controlling power dissipation has been the severe lack of suitable plasma sources and diagnostic techniques. Diagnostics and simulations of this plasma regime are very challenging; the highly pronounced collision dominated plasma dynamics at very small dimensions requires extraordinary high resolution - simultaneously in space (microns) and time (picoseconds). Numerical simulations are equally challenging due to the inherent multi-scale character with very rapid electron collisions on the one extreme and the transport of chemically stable species characterizing completely different domains. This presentation will discuss our recent progress actively combining both advance optical diagnostics and multi-scale computer simulations.

  8. Discovery of a 210 -fiber texture in medical-grade metastable beta titanium wire

    SciTech Connect

    Cai, Song; Schaffer, Jeremy E.; Ren, Yang; Daymond, Mark R.

    2015-04-01

    The texture and phase evolution of metastable beta-III Ti alloy wires, produced in a medical-grade wire-processing facility, are examined via synchrotron X-ray diffraction. The texture development in the beta-phase was interpreted by a simple viscoplastic self-consistent (VPSC) modeling approach. Both the stress-induced martensite and stress-induced omega phase transformations are observed during the early stage of cold deformation. The < 1 1 0 >(beta) texture is gradually replaced by the < 2 1 0 >(beta) texture at cold work levels above 50% total area reduction or equivalently 0.70 axial true strain. Formation of the < 2 1 0 >(beta)-fiber from the combined activity of {1 1 2} and {3 3 2} twinning plus conventional slip is observed and may not directly depend upon the stress-induced phase per se. According to the VPSC model, similar texture should occur in other metastable beta-Ti alloys subjected to similar wire processing. These data should help inform process-structure-function towards better wire design in titanium-based medical devices. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved

  9. Nonequilibrium synthesis of NbAl3 and Nb-Al-V alloys by laser cladding. I - Microstructure evolution

    NASA Technical Reports Server (NTRS)

    Sircar, S.; Chattopadhyay, K.; Mazumder, J.

    1992-01-01

    The evolution of the microstructure in NbAl3 synthesized by a laser cladding technique (a rapid solidification process, with cooling rates up to 10 exp 6 C/sec) is investigated, and the phases are identified using convergent beam electron diffraction. Two new metastable phases were identified and characterized in detail. The effect of adding V on the final microstructure was also investigated, and the various phase chemistries and the partitioning of different elements into different phases were studied.

  10. Extended Neural Metastability in an Embodied Model of Sensorimotor Coupling

    PubMed Central

    Aguilera, Miguel; Bedia, Manuel G.; Barandiaran, Xabier E.

    2016-01-01

    The hypothesis that brain organization is based on mechanisms of metastable synchronization in neural assemblies has been popularized during the last decades of neuroscientific research. Nevertheless, the role of body and environment for understanding the functioning of metastable assemblies is frequently dismissed. The main goal of this paper is to investigate the contribution of sensorimotor coupling to neural and behavioral metastability using a minimal computational model of plastic neural ensembles embedded in a robotic agent in a behavioral preference task. Our hypothesis is that, under some conditions, the metastability of the system is not restricted to the brain but extends to the system composed by the interaction of brain, body and environment. We test this idea, comparing an agent in continuous interaction with its environment in a task demanding behavioral flexibility with an equivalent model from the point of view of “internalist neuroscience.” A statistical characterization of our model and tools from information theory allow us to show how (1) the bidirectional coupling between agent and environment brings the system closer to a regime of criticality and triggers the emergence of additional metastable states which are not found in the brain in isolation but extended to the whole system of sensorimotor interaction, (2) the synaptic plasticity of the agent is fundamental to sustain open structures in the neural controller of the agent flexibly engaging and disengaging different behavioral patterns that sustain sensorimotor metastable states, and (3) these extended metastable states emerge when the agent generates an asymmetrical circular loop of causal interaction with its environment, in which the agent responds to variability of the environment at fast timescales while acting over the environment at slow timescales, suggesting the constitution of the agent as an autonomous entity actively modulating its sensorimotor coupling with the world. We

  11. Extended Neural Metastability in an Embodied Model of Sensorimotor Coupling.

    PubMed

    Aguilera, Miguel; Bedia, Manuel G; Barandiaran, Xabier E

    2016-01-01

    The hypothesis that brain organization is based on mechanisms of metastable synchronization in neural assemblies has been popularized during the last decades of neuroscientific research. Nevertheless, the role of body and environment for understanding the functioning of metastable assemblies is frequently dismissed. The main goal of this paper is to investigate the contribution of sensorimotor coupling to neural and behavioral metastability using a minimal computational model of plastic neural ensembles embedded in a robotic agent in a behavioral preference task. Our hypothesis is that, under some conditions, the metastability of the system is not restricted to the brain but extends to the system composed by the interaction of brain, body and environment. We test this idea, comparing an agent in continuous interaction with its environment in a task demanding behavioral flexibility with an equivalent model from the point of view of "internalist neuroscience." A statistical characterization of our model and tools from information theory allow us to show how (1) the bidirectional coupling between agent and environment brings the system closer to a regime of criticality and triggers the emergence of additional metastable states which are not found in the brain in isolation but extended to the whole system of sensorimotor interaction, (2) the synaptic plasticity of the agent is fundamental to sustain open structures in the neural controller of the agent flexibly engaging and disengaging different behavioral patterns that sustain sensorimotor metastable states, and (3) these extended metastable states emerge when the agent generates an asymmetrical circular loop of causal interaction with its environment, in which the agent responds to variability of the environment at fast timescales while acting over the environment at slow timescales, suggesting the constitution of the agent as an autonomous entity actively modulating its sensorimotor coupling with the world. We

  12. Study of non-equilibrium transport phenomena

    NASA Technical Reports Server (NTRS)

    Sharma, Surendra P.

    1987-01-01

    Nonequilibrium phenomena due to real gas effects are very important features of low density hypersonic flows. The shock shape and emitted nonequilibrium radiation are identified as the bulk flow behavior parameters which are very sensitive to the nonequilibrium phenomena. These parameters can be measured in shock tubes, shock tunnels, and ballistic ranges and used to test the accuracy of computational fluid dynamic (CFD) codes. Since the CDF codes, by necessity, are based on multi-temperature models, it is also desirable to measure various temperatures, most importantly, the vibrational temperature. The CFD codes would require high temperature rate constants, which are not available at present. Experiments conducted at the NASA Electric Arc-driven Shock Tube (EAST) facility reveal that radiation from steel contaminants overwhelm the radiation from the test gas. For the measurement of radiation and the chemical parameters, further investigation and then appropriate modifications of the EAST facility are required.

  13. Nonequilibrium Ablation of Phenolic Impregnated Carbon Ablator

    NASA Technical Reports Server (NTRS)

    Milos, Frank S.; Chen, Yih K.; Gokcen, Tahir

    2012-01-01

    In previous work, an equilibrium ablation and thermal response model for Phenolic Impregnated Carbon Ablator was developed. In general, over a wide range of test conditions, model predictions compared well with arcjet data for surface recession, surface temperature, in-depth temperature at multiple thermocouples, and char depth. In this work, additional arcjet tests were conducted at stagnation conditions down to 40 W/sq cm and 1.6 kPa. The new data suggest that nonequilibrium effects become important for ablation predictions at heat flux or pressure below about 80 W/sq cm or 10 kPa, respectively. Modifications to the ablation model to account for nonequilibrium effects are investigated. Predictions of the equilibrium and nonequilibrium models are compared with the arcjet data.

  14. Local entropy of a nonequilibrium fermion system

    NASA Astrophysics Data System (ADS)

    Stafford, Charles A.; Shastry, Abhay

    2017-03-01

    The local entropy of a nonequilibrium system of independent fermions is investigated and analyzed in the context of the laws of thermodynamics. It is shown that the local temperature and chemical potential can only be expressed in terms of derivatives of the local entropy for linear deviations from local equilibrium. The first law of thermodynamics is shown to lead to an inequality, not equality, for the change in the local entropy as the nonequilibrium state of the system is changed. The maximum entropy principle (second law of thermodynamics) is proven: a nonequilibrium distribution has a local entropy less than or equal to a local equilibrium distribution satisfying the same constraints. It is shown that the local entropy of the system tends to zero when the local temperature tends to zero, consistent with the third law of thermodynamics.

  15. An occurrence of metastable cristobalite in high-pressure garnet Granulite

    USGS Publications Warehouse

    Darling, R.S.; Chou, I.-Ming; Bodnar, R.J.

    1997-01-01

    High-pressure (0.8 gigapascals) granulite facies garnet from Gore Mountain, New York, hosts multiple solid inclusions containing the low- pressure silica polymorph cristobalite along with albite and minor ilmenite. Identification of cristobalite is based on Raman spectra, electron microprobe analysis, and microthermometric measurements on the ??/?? phase transformation. The cristobalite plus albite inclusions may have originated as small, trapped samples of hydrous sodium-aluminum-siliceous melt. Diffusive loss of water from these inclusions under isothermal, isochoric conditions may have resulted in a large enough internal pressure decrease to promote the metastable crystallization of cristobalite.

  16. Investigation of Strain-Induced Martensitic Transformation in Metastable Austenite using Nanoindentation

    SciTech Connect

    Ahn, T.-H.; Oh, C.-S.; Kim, D. H.; Oh, K. H.; Bei, Hongbin; George, Easo P; Han, H. N.

    2010-01-01

    Strain-induced martensitic transformation of metastable austenite was investigated by nanoindentation of individual austenite grains in multi-phase steel. A cross-section prepared through one of these indented regions using focused ion beam milling was examined by transmission electron microscopy. The presence of martensite underneath the indent indicates that the pop-ins observed on the load-displacement curve during nanoindentation correspond to the onset of strain-induced martensitic transformation. The pop-ins can be understood as resulting from the selection of a favorable martensite variant during nanoindentation.

  17. Microstructural evolution of metastable austenitic steel during high-pressure torsion and subsequent heat treatment

    NASA Astrophysics Data System (ADS)

    Chen, S.; Shibata, A.; Zhao, L. J.; Gao, S.; Tian, Y. Z.; Tsuji, N.

    2014-08-01

    Metastable austenite in a Fe-24Ni-0.3C (wt.%) alloy was processed by high-pressure torsion and subsequently heat-treated. The HPT-processed material had lamellae structures composed of highly deformed austenite and deformation-induced martensite. The reverse transformation of the deformation-induced martensite and recovery/recrystallization of the retained austenite completed above 500 °C and resulted in fully annealed and single-phase austenite with different grain sizes. The ultrafine-grained and nanocrystalline austenite showed high yield strength and large ductility due to transformation-induced plasticity.

  18. Huge metastability in high-Tc superconductors induced by parallel magnetic field

    NASA Astrophysics Data System (ADS)

    Dias, R. G.; Silva, J. A.

    2003-03-01

    We present a study of the temperature-magnetic-field phase diagram of homogeneous and inhomogeneous superconductivity in the case of a quasi-two-dimensional superconductor with an extended saddle point in the energy dispersion under a parallel magnetic field. At low temperature, a huge metastability region appears, limited above by a steep superheating critical field Hsh and below by a strongly reentrant supercooling field Hsc. We show that the Pauli limit Hp for the upper critical magnetic field is strongly enhanced due to the presence of the Van Hove singularity in the density of states. The formation of a nonuniform superconducting state is predicted to be very unlikely.

  19. Generalization of low pressure, gas-liquid, metastable sound speed to high pressures

    NASA Technical Reports Server (NTRS)

    Bursik, J. W.; Hall, R. M.

    1981-01-01

    A theory is developed for isentropic metastable sound propagation in high pressure gas-liquid mixtures. Without simplification, it also correctly predicts the minimum speed for low pressure air-water measurements where other authors are forced to postulate isothermal propagation. This is accomplished by a mixture heat capacity ratio which automatically adjusts from its single phase values to approximately the isothermal value of unity needed for the minimum speed. Computations are made for the pure components parahydrogen and nitrogen, with emphasis on the latter. With simplifying assumptions, the theory reduces to a well known approximate formula limited to low pressure.

  20. Equilibrium conditions and the region of metastable states of Freon-12 gas hydrate

    NASA Astrophysics Data System (ADS)

    Zavodovsky, A. G.; Madygulov, M. Sh.; Reshetnikov, A. M.

    2015-12-01

    The results from DTA experiments to determine the thermodynamic parameters of equilibrium of Freon-12 gas hydrate with water (super cooled water), gas, and ice are analyzed. Empirical relations are obtained for determining the positions of the boundaries in the region of metastable states of Freon-12 gas hydrate in the P-T phase diagram. The enthalpies of dissociation of gas hydrate to water and ice are calculated. The size of pores in Freon-12 hydrate formed from granules of ground ice is estimated from the magnitude of the shift in the quadrupole point at temperatures below 273 K.

  1. Electromechanical actuation and current-induced metastable states in suspended single-crystalline VO2 nanoplatelets

    SciTech Connect

    Tselev, Alexander; Budai, John D; Strelcov, Evgheni; Tischler, Jonathan Zachary; Kolmakov, Andrei; Kalinin, Sergei V

    2011-01-01

    Current-induced electromechanical actuation enabled by the metal-insulator transition in VO{sub 2} nanoplatelets is demonstrated. The Joule heating by a sufficient current flowing through suspended nanoplatelets results in formation of heterophase domain patterns and is accompanied by nanoplatelet deformation. The actuation action can be achieved in a wide temperature range below the bulk phase transition temperature (68 C). The observed current-sustained heterophase domain structures should be interpreted as distinct metastable states in free-standing and end-clamped VO{sub 2} samples. We analyze the main prerequisites for the realization of a current-controlled actuator based on the proposed concept.

  2. Nonequilibrium air radiation (Nequair) program: User's manual

    NASA Technical Reports Server (NTRS)

    Park, C.

    1985-01-01

    A supplement to the data relating to the calculation of nonequilibrium radiation in flight regimes of aeroassisted orbital transfer vehicles contains the listings of the computer code NEQAIR (Nonequilibrium Air Radiation), its primary input data, and explanation of the user-supplied input variables. The user-supplied input variables are the thermodynamic variables of air at a given point, i.e., number densities of various chemical species, translational temperatures of heavy particles and electrons, and vibrational temperature. These thermodynamic variables do not necessarily have to be in thermodynamic equilibrium. The code calculates emission and absorption characteristics of air under these given conditions.

  3. Fluctuation theorem for partially masked nonequilibrium dynamics

    NASA Astrophysics Data System (ADS)

    Shiraishi, Naoto; Sagawa, Takahiro

    2015-01-01

    We establish a generalization of the fluctuation theorem for partially masked nonequilibrium dynamics. We introduce a partial entropy production with a subset of all possible transitions, and show that the partial entropy production satisfies the integral fluctuation theorem. Our result reveals the fundamental properties of a broad class of autonomous as well as nonautonomous nanomachines. In particular, our result gives a unified fluctuation theorem for both autonomous and nonautonomous Maxwell's demons, where mutual information plays a crucial role. Furthermore, we derive a fluctuation-dissipation theorem that relates nonequilibrium stationary current to two kinds of equilibrium fluctuations.

  4. Nonequilibrium temperature response for stochastic overdamped systems

    NASA Astrophysics Data System (ADS)

    Falasco, G.; Baiesi, M.

    2016-04-01

    The thermal response of nonequilibrium systems requires the knowledge of concepts that go beyond entropy production. This is showed for systems obeying overdamped Langevin dynamics, either in steady states or going through a relaxation process. Namely, we derive the linear response to perturbations of the noise intensity, mapping it onto the quadratic response to a constant small force. The latter, displaying divergent terms, is explicitly regularised with a novel path-integral method. The nonequilibrium equivalents of heat capacity and thermal expansion coefficient are two applications of this approach, as we show with numerical examples.

  5. Energy repartition in the nonequilibrium steady state

    NASA Astrophysics Data System (ADS)

    Yan, Peng; Bauer, Gerrit E. W.; Zhang, Huaiwu

    2017-01-01

    The concept of temperature in nonequilibrium thermodynamics is an outstanding theoretical issue. We propose an energy repartition principle that leads to a spectral (mode-dependent) temperature in steady-state nonequilibrium systems. The general concepts are illustrated by analytic solutions of the classical Heisenberg spin chain connected to Langevin heat reservoirs with arbitrary temperature profiles. Gradients of external magnetic fields are shown to localize spin waves in a Wannier-Zeemann fashion, while magnon interactions renormalize the spectral temperature. Our generic results are applicable to other thermodynamic systems such as Newtonian liquids, elastic solids, and Josephson junctions.

  6. Nonequilibrium noise in electrophoresis: The microion wind

    NASA Astrophysics Data System (ADS)

    Saha, Suropriya; Ramaswamy, Sriram

    2014-03-01

    A colloid supported against gravitational settling by means of an imposed electric field behaves, on average, as if it is at equilibrium in a confining potential [T. M. Squires, J. Fluid Mech. 443, 403 (2001), 10.1017/S0022112001005432]. We show, however, that the effective Langevin equation for the colloid contains a nonequilibrium noise source, proportional to the field, arising from the thermal motion of dissolved ions. The position fluctuations of the colloid show strong, experimentally testable signatures of nonequilibrium behavior, including a highly anisotropic, frequency-dependent "effective temperature" obtained from the fluctuation-dissipation ratio.

  7. Nonequilibrium statistical physics with fictitious time.

    PubMed

    Samanta, Himadri S; Bhattacharjee, J K

    2006-04-01

    Problems in nonequilibrium statistical physics are characterized by the absence of a fluctuation dissipation theorem. The usual analytic route for treating these vast class of problems is to use response fields in addition to the real fields that are pertinent to a given problem. This line of argument was introduced by Martin, Siggia, and Rose. We show that instead of using the response field, one can, following the stochastic quantization of Parisi and Wu, introduce a fictitious time. In this extra dimension a fluctuation dissipation theorem is built in and provides a different outlook to problems in nonequilibrium statistical physics.

  8. Quenched disorder forbids discontinuous transitions in nonequilibrium low-dimensional systems.

    PubMed

    Villa Martín, Paula; Bonachela, Juan A; Muñoz, Miguel A

    2014-01-01

    Quenched disorder affects significantly the behavior of phase transitions. The Imry-Ma-Aizenman-Wehr-Berker argument prohibits first-order or discontinuous transitions and their concomitant phase coexistence in low-dimensional equilibrium systems in the presence of random fields. Instead, discontinuous transitions become rounded or even continuous once disorder is introduced. Here we show that phase coexistence and first-order phase transitions are also precluded in nonequilibrium low-dimensional systems with quenched disorder: discontinuous transitions in two-dimensional systems with absorbing states become continuous in the presence of quenched disorder. We also study the universal features of this disorder-induced criticality and find them to be compatible with the universality class of the directed percolation with quenched disorder. Thus, we conclude that first-order transitions do not exist in low-dimensional disordered systems, not even in genuinely nonequilibrium systems with absorbing states.

  9. Non-equilibrium universality in the dynamics of dissipative cold atomic gases

    NASA Astrophysics Data System (ADS)

    Marcuzzi, M.; Levi, E.; Li, W.; Garrahan, J. P.; Olmos, B.; Lesanovsky, I.

    2015-07-01

    The theory of continuous phase transitions predicts the universal collective properties of a physical system near a critical point, which for instance manifest in characteristic power-law behaviours of physical observables. The well-established concept at or near equilibrium, universality, can also characterize the physics of systems out of equilibrium. The most fundamental instance of a genuine non-equilibrium phase transition is the directed percolation (DP) universality class, where a system switches from an absorbing inactive to a fluctuating active phase. Despite being known for several decades it has been challenging to find experimental systems that manifest this transition. Here we show theoretically that signatures of the DP universality class can be observed in an atomic system with long-range interactions. Moreover, we demonstrate that even mesoscopic ensembles—which are currently studied experimentally—are sufficient to observe traces of this non-equilibrium phase transition in one, two and three dimensions.

  10. Peculiarities of the volume ratio of α and β phases in the superplastic eutectic Bi-43 wt % Sn Alloy

    NASA Astrophysics Data System (ADS)

    Korshak, V. F.; Mateychenko, P. V.; Shapovalov, Yu. A.

    2014-12-01

    This work deals with the study of the volume ratio of α(Sn) and β(Bi) phases in the as-cast eutectic Bi-43 wt % Sn alloy, as well as in this alloy after casting, followed by compression in a hydraulic press to a degree of deformation of ˜70%, and in this alloy aged for various time intervals. This alloy demonstrates superplastic behavior even at room temperature. The experiments were carried out using scanning electron microscopy and electron-microprobe analysis using a JSM-6390LV scanning electron microscope equipped with an INCA-350 attachment for EDS analysis. Based on the obtained cooling curves, it has been found that, under the selected experimental conditions, the crystallization of the alloy is nonequilibrium. The original phase state of the alloy is characterized by an excessive relative amount of the α(Sn) phase compared to the equilibrium amount even for the eutectic temperature, which is indicative of the quenching of the liquid melt. The phase state of the alloy formed in the course of crystallization is metastable. This is confirmed by the volume ratio of the phases in the specimens subjected to fairly long aging. The data on the earlier discovered effect of the enrichment of open outer surfaces of the specimens in tin in the course of aging are presented. As a cause of the metastability of the phase state of the alloy, internal compression stresses are considered, which arise in the course of crystallization due to an increase in the specific volume of the bismuth phase in going from the liquid to the solid state. The results presented are first reported and are significant for gaining insight into the physical nature of the effect of superplasticity.

  11. Nonequilibrium functional renormalization group for interacting quantum systems.

    PubMed

    Jakobs, Severin G; Meden, Volker; Schoeller, Herbert

    2007-10-12

    We propose a nonequilibrium version of functional renormalization within the Keldysh formalism by introducing a complex-valued flow parameter in the Fermi or Bose functions of each reservoir. Our cutoff scheme provides a unified approach to equilibrium and nonequilibrium situations. We apply it to nonequilibrium transport through an interacting quantum wire coupled to two reservoirs and show that the nonequilibrium occupation induces new power law exponents for the conductance.

  12. Origin of the metastable stability in flavylium multistate systems.

    PubMed

    Petrov, Vesselin; Slavcheva, Stoyanka; Stanimirov, Stanislav; Pina, Fernando

    2015-03-26

    Metastable states regarding the network of chemical reactions involving flavylium compounds were investigated as well as the role they may play in models for optical memories capable of write-read-erase. A necessary requirement to achieve metastable states in flavylium systems is the existence of a high cis-trans isomerization barrier, as in 4'-hydroxyflavylium described through this paper. In an optical memory, the metastable state could be the signal to be detected upon the write step. In that case the autoerase is prevented by the metastable state. Conversely, the metastable state may be the initial state and prevents the auto and unwanted write step. The compound 4'-hydroxyflavylium offers the possibility of achieving both of these two situations, depending on the sequence of the pH stimuli prior to light absorption. In this work the pH dependent distribution of the flavylium species of the network in the presence of β-cyclodextrin was calculated. Improvement of the performance of the photochromic system in the presence of β-cyclodextrin was observed.

  13. Simulating rare events in equilibrium or nonequilibrium stochastic systems.

    PubMed

    Allen, Rosalind J; Frenkel, Daan; ten Wolde, Pieter Rein

    2006-01-14

    We present three algorithms for calculating rate constants and sampling transition paths for rare events in simulations with stochastic dynamics. The methods do not require a priori knowledge of the phase-space density and are suitable for equilibrium or nonequilibrium systems in stationary state. All the methods use a series of interfaces in phase space, between the initial and final states, to generate transition paths as chains of connected partial paths, in a ratchetlike manner. No assumptions are made about the distribution of paths at the interfaces. The three methods differ in the way that the transition path ensemble is generated. We apply the algorithms to kinetic Monte Carlo simulations of a genetic switch and to Langevin dynamics simulations of intermittently driven polymer translocation through a pore. We find that the three methods are all of comparable efficiency, and that all the methods are much more efficient than brute-force simulation.

  14. Nonthermal antiferromagnetic order and nonequilibrium criticality in the Hubbard model.

    PubMed

    Tsuji, Naoto; Eckstein, Martin; Werner, Philipp

    2013-03-29

    We study dynamical phase transitions from antiferromagnetic to paramagnetic states driven by an interaction quench in the fermionic Hubbard model using the nonequilibrium dynamical mean-field theory. We identify two dynamical transition points where the relaxation behavior qualitatively changes: one corresponds to the thermal phase transition at which the order parameter decays critically slowly in a power law ∝t(-1/2), and the other is connected to the existence of nonthermal antiferromagnetic order in systems with effective temperature above the thermal critical temperature. The frequency of the amplitude mode extrapolates to zero as one approaches the nonthermal (quasi)critical point, and thermalization is significantly delayed by the trapping in the nonthermal state. A slow relaxation of the nonthermal order is followed by a faster thermalization process.

  15. Study on stable and meta-stable carbides in a high speed steel for rollers during tempering processes

    NASA Astrophysics Data System (ADS)

    Guo, Jing; Qu, Hong-wei; Liu, Li-gang; Sun, Yan-liang; Zhang, Yue; Yang, Qing-xiang

    2013-02-01

    A high speed steel (HSS) was studied for rollers in this work. The steel was quenched at 1150°C and tempered at 520°C. The phase structures of the steel were determined by X-ray diffraction (XRD), and the hardness of specimens was measured. The volume fraction of carbides was counted by Image-Pro Plus software. The typical microstructures were observed by field emission scanning electron microscope (FESEM). Stable and meta-stable carbides were deduced by removing the existing phases one by one in the Fe-C equilibrium calculation. It is found that the precipitated carbides are bulk-like MC, long stripe-like M2C, fishbone-like M6C, and daisy-like M7C3 during the tempering process. The stable carbides are MC and M6C, but the meta-stable ones are M2C, M7C3, and M3C.

  16. Metastable Aluminum Atoms Floating on the Surface of Helium Nanodroplets.

    PubMed

    Jeffs, Jay; Besley, Nicholas A; Stace, Anthony J; Sarma, Gautam; Cunningham, Ethan M; Boatwright, Adrian; Yang, Shengfu; Ellis, Andrew M

    2015-06-12

    Metal atoms have proved to be sensitive probes of the properties of superfluid helium nanodroplets. To date, all experiments on the doping of helium droplets have concentrated on the attachment of metal atoms in their ground electronic states. Here we report the first examples of metal atoms in excited states becoming attached to helium nanodroplets. The atoms in question are aluminum, and they have been generated by laser ablation in a metastable quartet state, which attaches to and remains on the surface of helium droplets. Evidence for a surface location comes from electronic spectra, which consist of very narrow absorption profiles that show very small spectral shifts. Supporting ab initio calculations show there to be an energy incentive for a metastable Al atom to remain on the surface of a helium droplet rather than move to the interior. The results suggest that helium droplets may provide a method for the capture and transport of metastable excited atomic and molecular species.

  17. An efficient magneto-optical trap of metastable krypton atoms.

    PubMed

    Cheng, C-F; Jiang, W; Yang, G-M; Sun, Y-R; Pan, H; Gao, Y; Liu, A-W; Hu, S-M

    2010-12-01

    We report a magneto-optical trap of metastable krypton atoms with a trap loading rate of 3×10(11) atoms/s and a trap capture efficiency of 3×10(-5). The system starts with an atomic beam of metastable krypton produced in a liquid-nitrogen cooled, radio-frequency driven discharge. The metastable beam flux emerging from the discharge is 1.5×10(14) atoms/s/sr. The flux in the forward direction is enhanced by a factor of 156 with transverse laser cooling. The atoms are then slowed inside a Zeeman slower before captured by a magneto-optic trap. The trap efficiency can be further improved, possibly to the 10(-2) level, by gas recirculation. Such an atom trap is useful in trace analysis applications where available sample size is limited.

  18. Classification of knotted tori in 2-metastable dimension

    SciTech Connect

    Cencelj, Matija; Repovs, Dusan; Skopenkov, Mihail B

    2012-11-30

    This paper is devoted to the classical Knotting Problem: for a given manifold N and number m describe the set of isotopy classes of embeddings N{yields}S{sup m}. We study the specific case of knotted tori, that is, the embeddings S{sup p} Multiplication-Sign S{sup q}{yields}S{sup m}. The classification of knotted tori up to isotopy in the metastable dimension range m {>=} p + 3/2q + 2, p{<=}q, was given by Haefliger, Zeeman and A. Skopenkov. We consider the dimensions below the metastable range and give an explicit criterion for the finiteness of this set of isotopy classes in the 2-metastable dimension. Bibliography: 35 titles.

  19. Visible light responsive systems based on metastable-state photoacids

    NASA Astrophysics Data System (ADS)

    Liao, Yi

    2015-09-01

    Proton transfer is one of the most fundamental processes in nature. Metastable-state photoacids can reversibly generate a large proton concentration under visible light with moderate intensity. which provides a general approach to control various proton transfer processes. Several applications of mPAHs have been demonstrated recently including control of acid-catalyzed reactions, volume-change of hydrogels, polymer conductivity, bacteria killing, odorant release, and color change of materials. They have also been utilized to control supramolecular assemblies, molecular switches, microbial fuel cells and cationic sensors. In this talk, the mechanism, structure design, and applications of metastable-state photoacids are introduced. Recent development of different types of metastable-state photoacids is presented. Challenges and future work are also discussed.

  20. Metastability in the driven-dissipative Rabi model

    NASA Astrophysics Data System (ADS)

    Le Boité, Alexandre; Hwang, Myung-Joong; Plenio, Martin B.

    2017-02-01

    We explore the long-time dynamics of the quantum Rabi model in a driven-dissipative setting and show that, as the atom-cavity coupling strength becomes larger than the cavity frequency, a new time scale emerges. This time scale, much larger than the natural relaxation time of the atom and the cavity, leads to long-lived metastable states susceptible to being observed experimentally. By applying a Floquet-Liouville approach to the time-dependent master equation, we systematically investigate the set of possible metastable states. We find that the properties of the metastable states can differ drastically from those of the steady state and relate these properties to the energy spectrum of the Rabi Hamiltonian.