Theory of Classical Metastability in Open Quantum Systems

Total Page:16

File Type:pdf, Size:1020Kb

Theory of Classical Metastability in Open Quantum Systems Theory of classical metastability in open quantum systems Katarzyna Macieszczak,1 Dominic C. Rose,2, 3 Igor Lesanovsky,4, 2, 3 and Juan P. Garrahan2, 3 1TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom 2School of Physics and Astronomy, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom 3Centre for the Mathematics and Theoretical Physics of Quantum Non-Equilibrium Systems, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom 4Institut für Theoretische Physik, Universität Tübingen, Auf der Morgenstelle 14, 72076 Tübingen, Germany We present a general theory of classical metastability in open quantum systems. Metastability is a consequence of a large separation in timescales in the dynamics, leading to the existence of a regime when states of the system appear stationary, before eventual relaxation toward a true stationary state at much larger times. In this work, we focus on the emergence of classical metastability, i.e., when metastable states of an open quantum system with separation of timescales can be approximated as probabilistic mixtures of a finite number of states. We find that a number of classical features follow from this approximation, for the manifold of metastable states, long-time dynamics between them, and symmetries of the dynamics. Namely, those states are approximately disjoint and thus play the role of metastable phases, the relaxation toward the stationary state is approximated by a classical stochastic dynamics between them, and weak symmetries correspond to their permutations. Importantly, the classical dynamics is observed not only on average, but also at the level of individual quantum trajectories: We show that time coarse-grained continuous measurement records can be viewed as noisy classical trajectories, while their statistics can be approximated by that of the classical dynamics. Among others, this explains how first-order dynamical phase transitions arise from metastability. Finally, to verify the presence of classical metastability in a given open quantum system, we develop an efficient numerical approach that delivers the set of metastable phases together with the effective classical dynamics. Since the proximity to a first-order dissipative phase transition manifests as metastability, the theory and tools introduced in this work can be used to investigate such transitions—which occur in the large size limit—through the metastable behavior of many-body systems of moderate sizes accessible to numerics. CONTENTS 1. Long-time dynamics 12 2. Classical generator 12 I. Introduction3 3. Classical system dynamics 13 4. Hierarchy of classical long-time II. Metastability in open quantum systems5 dynamics 13 A. Dynamics of open quantum systems5 5. Classical observable dynamics 14 B. Spectral theory of metastability5 B. Classical characteristics of quantum C. Quantitative approach6 trajectories 14 D. Dissipative phase transitions7 1. Statistics of quantum trajectories 14 2. Classical tilted generator 15 III. Classical metastability in open quantum 3. Classical cumulants 15 systems7 4. Classical dynamics of quantum A. Definition of classical metastability7 trajectories 17 B. Test of classicality8 5. Classical metastability and dynamical C. Figures of merit9 phase transitions 18 IV. Classical metastable phases9 VI. Classical weak symmetries 19 A. Physical representation of metastable A. Symmetry and general metastability 20 arXiv:2006.01227v2 [cond-mat.stat-mech] 19 Jul 2021 manifold 10 1. Symmetry of metastable manifolds 20 B. Classical degrees of freedom 10 2. Symmetry of long-time dynamics 20 C. Approximate disjointness of metastable B. Symmetry and classical metastability 20 phases 11 1. Approximate symmetry of metastable D. Classical hierarchy of metastable phases 11 phases 20 2. No continuous symmetries 20 V. Classical long-time dynamics 11 3. Symmetric set of metastable phases 21 A. Classical average dynamics of system and 4. Symmetry of classical long-time observables 12 dynamics 21 2 5. Symmetric test of classicality 23 2. Trace-norm vs. L1-norm in classical metastable manifolds 42 VII. Unfolding classical metastability numerically 23 a. Distance between metastable states 42 A. Metastable phases from master operator b. Distance between metastable phases 42 spectrum 23 c. Norms of long-time generator 43 1. Metastable phases construction 23 d. Relaxation time 43 2. Construction for hierarchy of metastable 3. Orthogonality and disjointness of phases in manifolds 25 classical metastable manifolds 44 3. Construction for metastable manifolds a. Bounds on scalar products of metastable with symmetries 25 phases 44 4. Construction utilizing order parameters 25 b. Proof of Eqs. (31)-(33) in the main text 45 B. Metastable phases from biased quantum 4. Nonuniqueness of phases in classical trajectories 26 metastable manifolds 47 VIII. Conclusions and outlook 26 E. Classical long-time dynamics 47 1. Classical stochastic dynamics 47 Acknowledgments 27 a. Positivity and probability conservation 47 b. Stochastic trajectories 48 References 27 c. Weak symmetries 48 Supplemental Material 31 2. Classical dynamics of average system state 49 a. Best classical stochastic approximation of A. Classical metastability in proximity to long-time dynamics generator 49 dissipative phase transition at finite size 31 b. Derivation of Eq. (37) in the main text 49 1. Example in Figs.1–5 of the main text 31 c. Derivation of Eq. (39) in the main text 50 a. Model 31 d. Derivation of Eq. (41) in the main text 50 b. Dissipative phase transition 31 e. Approximation of dynamics resolvent 51 c. Plot parameters and numerical results 31 f. Classical discrete approximation of 2. General case 32 long-time dynamics 52 a. Dissipative phase transition and its 3. Classical statistics of quantum trajectories 53 proximity 32 a. Activity in quantum trajectories 53 b. Perturbation theory 33 b. Homodyne current in quantum trajectories 54 B. Metastability in open quantum systems 35 c. Time-integrals of system observables in 1. Projection on low-lying modes 35 quantum trajectories 56 ~ a. Derivation of Eq. (12) in the main text 35 d. Corrections in approximations of Ws, ~ ~ b. Bound on metastability of states closest Wh, and Wr 57 to Eq. (4) in the main text 35 e. Rates of average and fluctuations in 2. Metastable regime 35 quantum trajectories after initial 3. Relaxation times 36 relaxation 59 a. Definitions 36 f. Rates of average and fluctuations in b. Relation to master operator spectrum 37 quantum trajectories during metastable c. Relation to metastable regime 37 regime 65 g. Asymptotic rates of fluctuations in C. Classical metastability in open quantum quantum trajectories 69 systems 38 h. Multimodal distribution of quantum 1. Definition of classical metastability 38 trajectories 70 2. Test of classicality 38 a. Distance of barycentric coordinates to F. Classical hierarchy of metastabilities 75 probability distributions 38 1. Hierarchy of metastabilities 75 b. Derivation of Eq. (22) in the main text 39 2. Hierarchy of classical metastable manifolds 75 c. Optimality of test of classicality 39 3. Hierarchy of classical metastable phases 77 a. Supports and basins of attraction 77 D. Classical metastable phases 40 b. Decay subspace 78 1. Properties of dual basis in classical 4. Hierarchy of classical long-time dynamics 78 metastable manifolds 40 a. Hierarchy of continuous approximations a. Properties of dual basis 40 of classical long-time dynamics 78 b. Distance to POVM 41 b. Hierarchy of discrete approximations of c. Cross-correlations of dual basis 41 classical long-time dynamics 80 3 G. Classical weak symmetries 81 however, more sophisticated (albeit still approximate) 1. Symmetries of low-lying eigenmodes 81 techniques such as variational approaches [26–28], per- 2. Symmetries of classical metastable turbative expansions in lattice connectivity [25, 29], infi- manifolds 81 nite tensor network simulations [13] or a field-theoretical a. Discrete symmetries of classical analysis [16] can still indicate a unique stationary state. metastable manifolds 82 While it is unusual to see phase transitions at finite b. No nontrivial continuous symmetries of system sizes [30–33], first-order phase transitions in sta- classical metastable manifolds 82 tionary states manifest at large enough finite system c. Symmetric set of metastable phases 83 sizes [34] through the occurrence of metastability, i.e., dis- 3. Symmetries of classical long-time dynamics 84 tinct timescales in the evolution of the system statistics: a. Derivation of Eq. (77) in the main text 84 classically, in the probability distribution over configura- b. Classical dynamics of symmetric degrees tion space [7, 22, 35, 37, 39]; quantum mechanically, in of freedom 85 the density matrix [5, 11]. The statistics of such systems 4. Example of classicality test with weak at long times can be understood in terms of metastable symmetry 85 phases which generally correspond to the phases on ei- ther side of the transition being distinct from the unique H. Quantitative analysis of algorithm in Sec. VII A stationary state for a given set of parameters. Therefore, of the main text 86 already at a finite system size the structure of a possi- 1. Extreme eigenstates of dynamics ble first-order dissipative phase transition can be fully eigenmodes for metastable phases 86 determined by investigating metastable states of the sys- 2. Rotations of eigenmodes to expose tem [11, 42], which is of particular importance for many-
Recommended publications
  • Metastability of Anatase
    Metastability of anatase: size dependent and irreversible anatase-rutile phase SUBJECT AREAS: DENDRIMERS transition in atomic-level precise titania POLYMER CHEMISTRY Norifusa Satoh1, Toshio Nakashima2 & Kimihisa Yamamoto2 NANOSCIENCE AND TECHNOLOGY COORDINATION CHEMISTRY 1Photovoltaic Materials Unit, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki, 305-0047 Japan, 2Chemical Resources Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Yokohama 226-8503 Japan. Received 12 March 2013 Since crystal phase dominantly affects the properties of nanocrystals, phase control is important for the applications. To demonstrate the size dependence in anatase-rutile phase transition of titania, we used Accepted quantum-size titania prepared from the restricted number of titanium ions within dendrimer templates for 21 May 2013 size precision purposes and optical wave guide spectroscopy for the detection. Contrary to some theoretical calculations, the observed irreversibility in the transition indicates the metastablity of anatase; Published thermodynamics cannot explain the formation of metastable states. Therefore, we take into account the 7 June 2013 kinetic control polymerization of TiO6 octahedral units to explain how the crystal phase of the crystal-nucleus-size titania is dependent on which coordination sites, cis-ortrans-, react in the TiO6 octahedra, suggesting possibilities for the synthetic phase control of nanocrystals. In short, the dendrimer Correspondence and templates give access to crystal nucleation chemistry. The paper will also contribute to the creation of artificial metastable nanostructures with atomic-level precision. requests for materials should be addressed to N.S. (SATOH. he size dependence of nanocrystals during a solid-solid phase transition has attracted much attention1,2, [email protected]) because phase control is a key step to improve functionalities in photovoltaics3,4, ferroelectricity5, magnetics6, 7 or K.Y.
    [Show full text]
  • Multiple Interfaces in Diffusional Phase Transitions in Binary Mesogen-Non-Mesogen Mixtures Undergoing Metastable Phase Separations
    Multiple interfaces in diffusional phase transitions in binary mesogen-non-mesogen mixtures undergoing metastable phase separations Ezequiel R. Soulé 1,2 , Cyrille Lavigne 2,3 , Linda Reven 3 and Alejandro D. Rey 2* 1. Institute of Materials Science and Technology (INTEMA), University of Mar del Plata and National Research Council (CONICET), J. B. Justo 4302, 7600 Mar del Plata, Argentina 2. Department of Chemical Engineering, McGill University, Montreal, Quebec H3A 2B2, Canada 3. Center for Self-Assembled Chemical Structure (CSACS), Chemistry Department, McGill University, 801 Sherbrooke St. West, Montreal, Quebec H3A 2K6, Canada * corresponding author Abstract Theory and simulations of simultaneous chemical demixing and phase ordering are performed for a mixed order parameter system with an isotropic-isotropic (I-I) phase separation that is metastable with respect to an isotropic-nematic (I-N) phase ordering transition. Under certain conditions, the disordered phase transforms into an ordered phase via the motion of a double front containing a metastable phase produced by I-I demixing, a thermodynamically driven mechanism not previously reported. Different kinetic regimes are found depending on the location of the initial conditions in the thermodynamic phase diagram and the ratio between diffusional and nematic phase ordering mobilities. For a diffusional process, depending if the temperature is above or below the critical co-dissolution point, an inflection point or a phase separation takes place in the depletion layer. This phase separation leads to the formation of a second interface where the separation of the two metastable isotropic phases grows monotonically with time. The observed deviations from the typical Fickian concentration profiles are associated with strong positive deviations of the mixture from ideality due to couplings between concentration and nematic ordering.
    [Show full text]
  • A Case Study of N-Doped (Tio2)N for Photocatalysis
    Metastability Triggered Reactivity in Clusters at Realistic Conditions: A Case Study of N-doped (TiO2)n for Photocatalysis Shikha Saini, Pooja Basera, Manish Kumar, Preeti Bhumla, Saswata Bhattacharya∗ Department of Physics, Indian Institute of Technology Delhi, Hauz Khas, New Delhi, 110016, India E-mail: [email protected][SB] Phone: +91-2659 1359. Fax: +91-2658 2037 Abstract Here we report a strategy, by taking a prototypical model system for photocatal- ysis (viz. N-doped (TiO2)n clusters), to accurately determine low energy metastable structures that can play a major role with enhanced catalytic reactivity. Computa- tional design of specific metastable photocatalyst with enhanced activity is never been easy due to plenty of isomers on potential energy surface. This requires fixing vari- ous parameters viz. (i) favorable formation energy, (ii) low fundamental gap, (iii) low excitation energy and (iv) high vertical electron affinity (VEA) and low vertical ion- arXiv:2006.07395v1 [cond-mat.mtrl-sci] 12 Jun 2020 ization potential (VIP). We validate here by integrating several first principles based methodologies that consideration of the global minimum structure alone can severely underestimate the activity. As a first step, we have used a suite of genetic algorithms [viz. searching clusters with conventional minimum total energy ((GA)E); searching EA IP clusters with specific property i.e. high VEA ((GA)P ), and low VIP ((GA)P )] to 1 model the N-doped (TiO2)n clusters. Following this, we have identified its free energy using ab initio thermodynamics to confirm that the metastable structures are not too far from the global minima.
    [Show full text]
  • Metastable–Solid Phase Diagrams Derived from Polymorphic
    Metastable–solid phase diagrams derived from polymorphic solidification kinetics Babak Sadigha,1 , Luis Zepeda-Ruiza, and Jonathan L. Belofa,1 aLawrence Livermore National Laboratory, Physical and Life Sciences Directorate, Livermore, CA 94550 Edited by Pablo G. Debenedetti, Princeton University, Princeton, NJ, and approved January 16, 2021 (received for review August 24, 2020) Nonequilibrium processes during solidification can lead to kinetic Through X-ray diffraction of the freely suspended droplets, the stabilization of metastable crystal phases. A general frame- dynamics of crystal nucleation during solidification have been work for predicting the solidification conditions that lead to investigated. As a result, solidification of diverse crystalline metastable-phase growth is developed and applied to a model phases such as fcc, bcc, icosahedral, and quasicrystalline has face-centered cubic (fcc) metal that undergoes phase transitions been observed, and emergence of metastable phases, often in to the body-centered cubic (bcc) as well as the hexagonal close- the bcc structure, in sufficiently undercooled liquids has been packed phases at high temperatures and pressures. Large-scale demonstrated. Through application of CNT, the undercooling molecular dynamics simulations of ultrarapid freezing show that necessary for metastable-phase growth has been rationalized. bcc nucleates and grows well outside of the region of its thermo- It is conjectured that phase selection takes place in the nucle- dynamic stability. An extensive study of crystal–liquid equilibria ation stage; the phase emerging is one with the smallest critical confirms that at any given pressure, there is a multitude of nucleation barrier. Consequently, models for solid–liquid inter- metastable solid phases that can coexist with the liquid phase.
    [Show full text]
  • The Metastability of an Electrochemically Controlled
    [28]W. L. Jorgensen, J. Tirado-Rives, J. Am. Chem. Soc. 1988, 110, 1657. guise of bistable [2]rotaxanes in which the ring component can [29]Gaussian 98 (Revision A.11.3), M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. be induced[5] to move relative to the dumbbell-shaped one by Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. altering the redox characteristics of the molecules. Such Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. precisely controllable nanoscale molecular machines and Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, switches have attracted a lot of attention[2, 3] because of their P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghava- potential to meet the expectations of a visionary[6] and to act as chari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. some of the smallest components for the engineering of Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. nanoelectromechanical systems (NEMs) and the fabrication of Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. nanoelectronic devices.[7] Andres, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian, Inc., Although the redox-switching properties of numerous bista- Pittsburgh, PA, 2002.
    [Show full text]
  • The Disentangling of Hysteretic Spin Transition, Polymorphism and Metastability in Bistable Thin Films Formed by Sublimation of Bis(Scorpionate) Fe( II ) Molecules O
    The disentangling of hysteretic spin transition, polymorphism and metastability in bistable thin films formed by sublimation of bis(scorpionate) Fe( II ) molecules O. Iasco, Marie-Laure Boillot, A. Bellec, R. Guillot, E. Riviere, S. Mazerat, S. Nowak, D. Morineau, A. Brosseau, F. Miserque, et al. To cite this version: O. Iasco, Marie-Laure Boillot, A. Bellec, R. Guillot, E. Riviere, et al.. The disentangling of hys- teretic spin transition, polymorphism and metastability in bistable thin films formed by sublimation of bis(scorpionate) Fe( II ) molecules. Journal of Materials Chemistry C, Royal Society of Chemistry, 2017, 5 (42), pp.11067-11075. 10.1039/C7TC03276E. hal-01625120 HAL Id: hal-01625120 https://hal.archives-ouvertes.fr/hal-01625120 Submitted on 4 Dec 2017 HAL is a multi-disciplinary open access L’archive ouverte pluridisciplinaire HAL, est archive for the deposit and dissemination of sci- destinée au dépôt et à la diffusion de documents entific research documents, whether they are pub- scientifiques de niveau recherche, publiés ou non, lished or not. The documents may come from émanant des établissements d’enseignement et de teaching and research institutions in France or recherche français ou étrangers, des laboratoires abroad, or from public or private research centers. publics ou privés. The disentangling of hysteretic spin transition, polymorphism and metastability in bistable thin films formed by sublimation of bis(scorpionate) Fe(II) molecules O. Iasco,a M.-L. Boillot,a* A. Bellec,b R. Guillot,a E. Rivière,a S. Mazerat,a S. Nowak,c D. Morineau,d A. Brosseau,e F. Miserque,F V. Repainb and T.
    [Show full text]
  • Arxiv:2101.05736V1 [Cond-Mat.Mtrl-Sci] 14 Jan 2021
    Metastable piezoelectric group IV monochalcogenide monolayers with a buckled honeycomb structure Shiva P. Poudel1, ∗ and Salvador Barraza-Lopez1, 2, y 1Department of Physics, University of Arkansas, Fayetteville, AR 72701, USA 2Institute for Nanoscience and Engineering, University of Arkansas, Fayetteville, Arkansas 72701, USA (Dated: January 15, 2021) Multiple two-dimensional materials are being na¨ıvely termed stable on the grounds of displaying phonon dispersions with no negative frequencies, and of not collapsing on molecular dynamics calcu- lations at fixed volume. But, if these phases do not possess the smallest possible structural energy, how does one understand and establish their actual meta-stability? To answer this question, twelve two-dimensional group-IV monochalcogenide monolayers (SiS, SiSe, SiTe, GeS, GeSe, GeTe, SnS, SnSe, SnTe, PbS, PbSe, and PbTe) with a buckled honeycomb atomistic structure{belonging to sym- metry group P3m1{and an out-of-plane intrinsic electric polarization are shown to be metastable by three independendent methods. First, we uncover a coordination-preserving structural trans- formation from the low-buckled honeycomb structure onto the lower-energy Pnm21 (or Pmmn for PbS, PbSe, and PbTe) phase to estimate energy barriers EB that must be overcome during such structural transformation. Using the curvature of the local minima and EB as inputs to Kramers escape formula, large escape times are found, implying the structural metastability of the buckled honeycomb phase (nevertheless, and with the exception of PbS and PbSe, these phases display es- cape times ranging from 700 years to multiple times the age of the universe, and can be considered \stable" for practical purposes only in that relative sense).
    [Show full text]
  • Study of the Phase Transitions in the Binary System NPG-TRIS for Thermal Energy Storage Applications
    materials Article Study of the Phase Transitions in the Binary System NPG-TRIS for Thermal Energy Storage Applications Sergio Santos-Moreno 1,2,3 , Stefania Doppiu 1,*, Gabriel A. Lopez 3 , Nevena Marinova 2, Ángel Serrano 1 , Elena Silveira 2 and Elena Palomo del Barrio 1,4 1 Centre for Cooperative Research on Alternative Energies (CIC energiGUNE), Basque Research and Technology Alliance (BRTA), Alava Technology Park, 01510 Vitoria-Gasteiz, Spain; [email protected] (S.S.-M.); [email protected] (Á.S); [email protected] (E.P.d.B.) 2 TECNALIA, Basque Research and Technology Alliance (BRTA), Parque Tecnológico de San Sebastián, 20009 Donostia-San Sebastián, Spain; [email protected] (N.M.); [email protected] (E.S.) 3 Applied Physics II, University of the Basque Country UPV-EHU, 48940 Leioa, Spain; [email protected] 4 Ikerbasque, Basque Foundation for Science, 348013 Bilbao, Spain * Correspondence: [email protected] Received: 11 February 2020; Accepted: 3 March 2020; Published: 5 March 2020 Abstract: Neopentylglycol (NPG) and tris(hydroxymethyl)aminomethane (TRIS) are promising phase change materials (PCMs) for thermal energy storage (TES) applications. These molecules undergo reversible solid-solid phase transitions that are characterized by high enthalpy changes. This work investigates the NPG-TRIS binary system as a way to extend the use of both compounds in TES, looking for mixtures that cover transition temperatures different from those of pure compounds. The phase diagram of NPG-TRIS system has been established by thermal analysis. It reveals the existence of two eutectoids and one peritectic invariants, whose main properties as PCMs (transition temperature, enthalpy of phase transition, specific heat and density) have been determined.
    [Show full text]
  • Nuclear Spin Squeezing in Helium-3 by Continuous Quantum Nondemolition Measurement
    Nuclear spin squeezing in Helium-3 by continuous quantum nondemolition measurement Alan Serafin,1 Matteo Fadel,2 Philipp Treutlein,2 and Alice Sinatra1 1Laboratoire Kastler Brossel, ENS-Universit´ePSL, CNRS, Universit´ede la Sorbonne et Coll`egede France, 24 rue Lhomond, 75231 Paris, France 2Department of Physics, University of Basel, Klingelbergstrasse 82, 4056 Basel, Switzerland (Dated: December 15, 2020) We propose a technique to control the macroscopic collective nuclear spin of a Helium-3 vapor in the quantum regime using light. The scheme relies on metastability exchange collisions to mediate interactions between optically accessible metastable states and the ground-state nuclear spin, giving rise to an effective nuclear spin-light quantum nondemolition interaction of the Faraday form. Our technique enables measurement-based quantum control of nuclear spins, such as the preparation of spin-squeezed states. This, combined with the day-long coherence time of nuclear spin states in Helium-3, opens the possibility for a number of applications in quantum technology. Introduction. The nuclear spin of Helium-3 atoms in x a room-temperature gas is a very well isolated quantum B y z ϕ system featuring record-long coherence times of up to λ several days [1]. It is nowadays used in a variety of appli- κ 2 cations, such as magnetometry [2], gyroscopes for navi- 1083 nm gation [3], as target in particle physics experiments [1], and even in medicine for magnetic resonance imaging of the human respiratory system [4]. Moreover, Helium-3 gas cells are used for precision measurements in funda- mental physics, e.g. in the search for anomalous forces FIG.
    [Show full text]
  • A RELAXATION MODEL for LIQUID-VAPOR PHASE CHANGE with METASTABILITY Francois James, Hélène Mathis
    A RELAXATION MODEL FOR LIQUID-VAPOR PHASE CHANGE WITH METASTABILITY Francois James, Hélène Mathis To cite this version: Francois James, Hélène Mathis. A RELAXATION MODEL FOR LIQUID-VAPOR PHASE CHANGE WITH METASTABILITY. Communications in Mathematical Sciences, International Press, 2016, 74 (8), pp.2179-2214. 10.4310/CMS.2016.v14.n8.a4. hal-01178947v2 HAL Id: hal-01178947 https://hal.archives-ouvertes.fr/hal-01178947v2 Submitted on 14 Mar 2016 HAL is a multi-disciplinary open access L’archive ouverte pluridisciplinaire HAL, est archive for the deposit and dissemination of sci- destinée au dépôt et à la diffusion de documents entific research documents, whether they are pub- scientifiques de niveau recherche, publiés ou non, lished or not. The documents may come from émanant des établissements d’enseignement et de teaching and research institutions in France or recherche français ou étrangers, des laboratoires abroad, or from public or private research centers. publics ou privés. A RELAXATION MODEL FOR LIQUID-VAPOR PHASE CHANGE WITH METASTABILITY FRANC¸OIS JAMES AND HEL´ ENE` MATHIS Abstract. We propose a model that describes phase transition including metastable states present in the van der Waals Equation of State. From a convex optimization problem on the Helmoltz free energy of a mixture, we deduce a dynamical system that is able to depict the mass transfer between two phases, for which equilibrium states are either metastable states, stable states or a coexistent state. The dynamical system is then used as a relaxation source term in an isothermal 4×4 two-phase model. We use a Finite Volume scheme that treats the convective part and the source term in a fractional step way.
    [Show full text]
  • Energy Transfer from PO Excited States to Alkali Metal Atoms in the Phosphorus Chemiluminescence Flame [Metastable P0(4Jj,)/(P0.P0)* Excimerl AHSAN U
    Proc. Natl. Acad. Sci. USA Vol. 77, No. 12, pp. 6952-6955, December 1980 Chemistry Energy transfer from PO excited states to alkali metal atoms in the phosphorus chemiluminescence flame [metastable P0(4jj,)/(P0.P0)* excimerl AHSAN U. KHAN Institute of Molecular Biophysics and Department of Chemistry, Florida State University, Tallahassee, Florida 32306 Communicated by Michael Kasha, August 21, 1980 ABSTRACT Phosphorus chemiluminescence under ambient cence is a visible continuum upon which are superposed a conditions of a phosphorus oxidation flame is found to offer an number of sharp emission bands. In 1938 Rumpf (9) confirmed efficient electronic energy transferring system to alkali metal Ball regarding the ultraviolet atoms. The lowest resonance lines, 2P312,12-.S1/2, of potas- the observations of Ghosh and sium and sodium are excited by energy transfer when an argon emission from the reaction and attributed the visible emission stream at 800C carrying potassium or sodium atoms intersects also to PO. In 1957 Walsh (10) made a detailed investigation a phosphorus vapor stream, either at the flame or'in the post- of the ultraviolet bands originating from the A22+ and B2Z* flame region. The lowest electronically excited metastable 4fl; states of PO and suggested that an unknown 2z+ state was re- state of PO or the (P0OP)* excimer is considered to be the sponsible for the visible emission; In 1965 Cordes and Witschel probable energy donor. The (PO.;PO)* excimer resilts from the on the interaction of the "ll; stite of one PO molecule with the ground (11) pointed out that the sharp band systems superposed 211r state of another.
    [Show full text]
  • Clusters, Metastability, and Nucleation: Kinetics of First-Order Phase Transitions M
    Journal of Statistical Physics, VoL 18, No. 1, 1978 Clusters, Metastability, and Nucleation: Kinetics of First-Order Phase Transitions M. Kalos, 1 Joel L. Lebowitz, 2'3'40. Penrose, 5 and A. Sur 6 Received July 21, 1977 We describe and interpret computer simulations of the time evolution of a binary alloy on a cubic lattice, with nearest neighbor interactions favoring like pairs of atoms. Initially the atoms are arranged at random; the time evolution proceeds by random interchanges of nearest neighbor pairs, using probabilities compatible with the equilibrium Gibbs distribution at tem- perature T. For temperatures 0.59T~, 0.81To, and 0.89Tc, with density p of A atoms equal to that in the B-rich phase at coexistence, the density C~ of clusters of l A atoms approximately satisfies the following empirical formulas: C1 ~ w(1 - p)a and C~ ,.~ (1 - p)~Q,w ~ (2 ~< l ~< 10). Here w is a parameter and we define Q~ = ~K e-~K~, where the sum goes over all translationally nonequivalent /-particle clusters and E(K) is the energy of formation of the cluster K. For l > 10, Qz is not known exactly; so we use an extrapolation formula Q~ ~ AwZ~l -~ exp(-bP), where w~ is the value of w at coexistence. The same formula (with w > w~) also fits the observed values of C~ (for small values of l) at densities greater than the coexistence density (for T = 0.59T~): When the supersaturation is small, the simula- tions show apparently metastable states, a theoretical estimate of whose lifetime is compatible with the observations.
    [Show full text]