Numerical study of the effects of surface topography and chemistry on the wetting transition using the string method

NASA Astrophysics Data System (ADS)

Zhang, Yanan; Ren, Weiqing

2014-12-01

Droplets on a solid surface patterned with microstructures can exhibit the composite Cassie-Baxter (CB) state or the wetted Wenzel state. The stability of the CB state is determined by the energy barrier separating it from the wetted state. In this work, we study the CB to Wenzel transition using the string method [E et al., J. Chem. Phys. 126, 164103 (2007); W. Ren and E. Vanden-Eijnden, J. Chem. Phys. 138, 134105 (2013)]. We compute the transition states and energy barriers for a three-dimensional droplet on patterned surfaces. The liquid-vapor coexistence is modeled using the mean field theory. Numerical results are obtained for surfaces patterned with straight pillars and nails, respectively. It is found that on both type of surfaces, wetting occurs via infiltration of the liquid in a single groove. The reentrant geometry of nails creates large energy barrier for the wetting of the solid surface compared to straight pillars. We also study the effect of surface chemistry, pillar height, and inter-pillar spacing on the energy barrier and compare it with nails.

Mass removal modes in the laser ablation of silicon by a Q-switched diode-pumped solid-state laser (DPSSL)

NASA Astrophysics Data System (ADS)

Lim, Daniel J.; Ki, Hyungson; Mazumder, Jyoti

2006-06-01

A fundamental study on the Q-switched diode-pumped solid-state laser interaction with silicon was performed both experimentally and numerically. Single pulse drilling experiments were conducted on N-type silicon wafers by varying the laser intensity from 108-109 W cm-2 to investigate how the mass removal mechanism changes depending on the laser intensity. Hole width and depth were measured and surface morphology was studied using scanning electron microscopy. For the numerical model study, Ki et al's self-consistent continuous-wave laser drilling model (2001 J. Phys. D: Appl. Phys. 34 364-72) was modified to treat the solidification phenomenon between successive laser pulses. The model has the capabilities of simulating major interaction physics, such as melt flow, heat transfer, evaporation, homogeneous boiling, multiple reflections and surface evolution. This study presents some interesting results on how the mass removal mode changes as the laser intensity increases.

Entanglement properties of the two-dimensional SU(3) Affleck-Kennedy-Lieb-Tasaki state

NASA Astrophysics Data System (ADS)

Gauthé, Olivier; Poilblanc, Didier

2017-09-01

Two-dimensional (spin-2) Affleck-Kennedy-Lieb-Tasaki (AKLT) type valence bond solids on a square lattice are known to be symmetry-protected topological (SPT) gapped spin liquids [S. Takayoshi, P. Pujol, and A. Tanaka Phys. Rev. B 94, 235159 (2016), 10.1103/PhysRevB.94.235159]. Using the projected entangled pair state framework, we extend the construction of the AKLT state to the case of SU(3 ) , relevant for cold atom systems. The entanglement spectrum is shown to be described by an alternating SU(3 ) chain of "quarks" and "antiquarks", subject to exponentially decaying (with distance) Heisenberg interactions, in close similarity with its SU(2 ) analog. We discuss the SPT feature of the state.

Simulation of vibrational dephasing of I(2) in solid Kr using the semiclassical Liouville method.

PubMed

Riga, Jeanne M; Fredj, Erick; Martens, Craig C

2006-02-14

In this paper, we present simulations of the decay of quantum coherence between vibrational states of I(2) in its ground (X) electronic state embedded in a cryogenic Kr matrix. We employ a numerical method based on the semiclassical limit of the quantum Liouville equation, which allows the simulation of the evolution and decay of quantum vibrational coherence using classical trajectories and ensemble averaging. The vibrational level-dependent interaction of the I(2)(X) oscillator with the rare-gas environment is modeled using a recently developed method for constructing state-dependent many-body potentials for quantum vibrations in a many-body classical environment [J. M. Riga, E. Fredj, and C. C. Martens, J. Chem. Phys. 122, 174107 (2005)]. The vibrational dephasing rates gamma(0n) for coherences prepared between the ground vibrational state mid R:0 and excited vibrational state mid R:n are calculated as a function of n and lattice temperature T. Excellent agreement with recent experiments performed by Karavitis et al. [Phys. Chem. Chem. Phys. 7, 791 (2005)] is obtained.

Solid-state experiments at high pressure and strain rates

NASA Astrophysics Data System (ADS)

Kalantar, D. H.

1999-11-01

We are developing experiments on intense laser facilities to study shock compressed metal foils in the solid state. At high pressure, Rayleigh-Taylor induced perturbation growth can be reduced by the strength of the material. [1] We use this to characterize the strength of the metal foils accelerated at high pressure in the solid state. In our experiments, Al and Cu foils are compressed and accelerated with staged shocks using a temporally shaped x-ray drive that is generated in a Nova laser hohlraum target. [2] The peak pressures exceed 1 Mbar (100 GPa), and strain rates are very high, 10^7-10^9 s-1. The instability growth is observed by x-ray radiography. To probe the state of the material under compression and to demonstrate that it remains solid, we are using the dynamic Bragg diffraction technique. [3] This technique has been demonstrated on the Nova laser [4] using Si crystals shocked to 200-500 kbar. Additionally, we have observed diffraction from Cu crystals that are shocked to 100-200 kbar by direct laser irradiation on the Trident and OMEGA lasers. Compressions of up to a 10in the crystal lattice spacing have been observed. We will present the results of our work to develop these high pressure solid-state hydrodynamics experiments. 1. J. F. Barnes et al, J. Appl. Phys. 45, 727 (1974); A. I. Lebedev et al , Proc. 4th IWPCTM, 29 March-1 April, 1993, p. 81. 2. D. H. Kalantar et al., to appear in Int. J. of Impact Eng. (1999). 3. R. R. Whitlock and J. S. Wark, Phys. Rev. B 52, 8 (1995). 4. D. H. Kalantar et al, Rev. Sci. Instrum. 70, 629 (1999).

Numerical study of the effects of surface topography and chemistry on the wetting transition using the string method

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

Zhang, Yanan, E-mail: ynzhang@suda.edu.cn; Ren, Weiqing, E-mail: matrw@nus.edu.sg; Institute of High Performance Computing, Singapore 138632

2014-12-28

Droplets on a solid surface patterned with microstructures can exhibit the composite Cassie-Baxter (CB) state or the wetted Wenzel state. The stability of the CB state is determined by the energy barrier separating it from the wetted state. In this work, we study the CB to Wenzel transition using the string method [E et al., J. Chem. Phys. 126, 164103 (2007); W. Ren and E. Vanden-Eijnden, J. Chem. Phys. 138, 134105 (2013)]. We compute the transition states and energy barriers for a three-dimensional droplet on patterned surfaces. The liquid-vapor coexistence is modeled using the mean field theory. Numerical results aremore » obtained for surfaces patterned with straight pillars and nails, respectively. It is found that on both type of surfaces, wetting occurs via infiltration of the liquid in a single groove. The reentrant geometry of nails creates large energy barrier for the wetting of the solid surface compared to straight pillars. We also study the effect of surface chemistry, pillar height, and inter-pillar spacing on the energy barrier and compare it with nails.« less

Piezoelectric and Electrostrictive Materials for Transducer Applications. Volume 2.

DTIC Science & Technology

1988-03-01

Dariington, J. Appi. Phys. 43, 4951 (1972).I 17Z. Ujina and J. Handerek, Acta Physica Polonica A53, 665 (1978). 18Z. Q. Zhuang, M. J. Haun, S. J...Solution System. Part V: Theoretical Calculations." J. Appi. Phys. (submritted). 5 A. M. Glazer, S. A. Mabud, and R. Clarke, Acta Cryst. B34, 1060 (1978...Clarke, Acta Cryst.. B34, 1060 (1978). 12A. Amrin. R. E. Newham, and L. E. Cross, J. Solid State Chemissry 37, 248 (198 1). 13 M. j. Haun, E

JPRS Report, Science & Technology, Japan, Powder Metallurgy Technology

DTIC Science & Technology

1988-12-13

100 mO« 132 Hz i i i i -K H JL x’ c-p’an« (film) ! f • j 0 60 70 M TOO 90 1C Figure 3. Real and...necessary to develop a new manufacturing process focusing on the control of grain orientation. References 1. M . Okada, et al., Jpn. J. Appl. Phys. 27...Tc drops as the amount of Sr added is increased. References 1. M . Oda, et al., Jpn. J. Phys., 26, L804, 1987. 2. Z. Qi-rui, et al., Solid State

Screened hybrid density functionals for solid-state chemistry and physics.

PubMed

Janesko, Benjamin G; Henderson, Thomas M; Scuseria, Gustavo E

2009-01-21

Density functional theory incorporating hybrid exchange-correlation functionals has been extraordinarily successful in providing accurate, computationally tractable treatments of molecular properties. However, conventional hybrid functionals can be problematic for solids. Their nonlocal, Hartree-Fock-like exchange term decays slowly and incorporates unphysical features in metals and narrow-bandgap semiconductors. This article provides an overview of our group's work on designing hybrid functionals for solids. We focus on the Heyd-Scuseria-Ernzerhof screened hybrid functional [J. Chem. Phys. 2003, 118, 8207], its applications to the chemistry and physics of solids and surfaces, and our efforts to build upon its successes.

Solid State Research

DTIC Science & Technology

1992-02-15

Appl. Phys. Lett. 59, 2634 Increased Lifetime Obtained by Using C. A. Wang (1991) Strained InGaAs Active Layer N. H. Karam* Piezoelectric Micromotors ... Micromotors J. Chen* K. G. Brooks* L. E. Cross* A. M. Flynn* S. F. Bart* L. S. Tavrow* R. A. Brooks* D. J. Ehrlich *Author not at Lincoln Laboratory

Analysis of finite-strain equations of state for solids under high pressures

NASA Astrophysics Data System (ADS)

Sushil, K.; Arunesh, K.; Singh, P. K.; Sharma, B. S.

2004-10-01

We have reformulated equations of state (EOS) for solids based on Lagrangian and Eulerian strains following the method developed by Stacey [Phys. Earth Planet. Inter. 128 (2001) 179]. The expressions thus obtained are used conveniently to assess the validity of various EOS for different types of solids. The logarithmic EOS based on the Hencky measure of finite-strain is also modified by including the higher terms arising from the fourth-order contribution in the Taylor series expansion of the free energy. The results are obtained for pressure (P), isothermal bulk modulus (KT) and its pressure derivative (dKT/dP) for Ne, Ar, Al, Cu, LiH and MgO solids for a wide range of compressions (V/V0) down to 0.5. The results determined from the finite-strain equations are compared with those obtained from the Vinet-Rydberg equation and the Shanker equation, which are based on the interatomic potential energy functions. The results are also compared with the ab inito values reported by Hama and Suito [J. Phys.: Condens. Matter 8 (1996) 67] determined from first-principles calculations using the augmented plane wave method and the quantum statistical model. The EOS based on the K‧ finite-strain theory due to Keane and Stacey are also discussed, emphasising the importance of K∞‧ , in the limit P→∞.

Technology and Application of Indium Phosphide and Related Semiconductors

DTIC Science & Technology

1989-03-01

Application and Insertion, GED-L 80/84-9, Oct 1984 1.2: M. Y. Yen , B. F. Levine, C. G. Bethea, K. K. Choi, and A. Y. Cho, Appl. Phys. Lett. 50 (1987) 927...Schlachetzki, Solid-State Electron. 28 (1985) 299 40 IV,A,5: F. B. Fank, J. D. Crowley, and J. J. Berenz, Microwave Journal, June 1979, p. 86 IV,A.6...Ser. 79 (1986) 703 IV,CIb.6: N. K. Dutta, S. G. Napholtz, R. Yen , R. L. Brown, T. M. Shen, N. A. Olsson, and D. C. Craft, Appl. Phys. Lett. 46 (1985

Comment on ``Dynamic Peierls-Nabarro equations for elastically isotropic crystals''

NASA Astrophysics Data System (ADS)

Markenscoff, Xanthippi

2011-02-01

The paper by Pellegrini [Phys. Rev. BPRBMDO0031-899X10.1103/PhysRevB.81.024101 81, 024101 (2010)] introduces additional “distributional terms” to the displacement of the static field of a dislocation and claims that they are needed so that Weertman's equation for the steady-state motion of the Peierls-Nabarro dislocation be recovered. He also claims that the [Eshelby, Phys. Rev.PHRVAO0031-899X10.1103/PhysRev.90.248 90, 248 (1953)] solution for a moving screw is wrong, a statement with which I disagree. The same [Eshelby, Phys. Rev.PHRVAO0031-899X10.1103/PhysRev.90.248 90, 248 (1953)] solution is also obtained and used by the eminent dislocation scientists Al’shitz and Indenbom in Al’shitz [Sov. Phys. JETP 33, 1240 (1971)] that the author ignores. A key reference in the formulation of the problem as a 3D inclusion with eigenstrain is Willis [J. Mech. Phys. SolidsJMPSA80022-509610.1016/0022-5096(65)90038-4 13, 377 (1965)] who showed that, in the transient fields, the static Eshelby equivalence of dislocations to inclusions (with eigenstrain) does not hold, but only at long times when they tend to the static ones. In this Comment the author provides the fundamental physics of the behavior of a moving Volterra dislocation in nonuniform motion by showing how the singular fields near the moving core are obtained from “first principles” (without solving for the full fields). The limit to the steady-state motion of a Peierls-Nabarro dislocation is also shown how to be obtained from first principles from the Volterra one by taking the appropriate limit, without the need of the additional distributional terms that Pellegrini introduces.

Comment on ``Equation of state of aluminum nitride and its shock response'' [J. Appl. Phys. 76, 4077 (1994)

NASA Astrophysics Data System (ADS)

Rosenberg, Z.; Brar, N. S.

1995-11-01

A recent article by Dandekar, Abbate, and Frankel [J. Appl. Phys. 76, 4077 (1994)] reviews existing data on high-pressure properties of aluminum nitride (AlN) in an effort to build an equation of state for this material. A rather large portion of that article is devoted to the shear strength of AlN and, in particular, to our data of 1991 with longitudinal and lateral stress gauges [Z. Rosenberg, N. S. Brar, and S. J. Bless, J. Appl. Phys. 70, 167 (1991)]. Since our highest data point has an error of 1 GPa, much of the discussion and conclusions of Dandekar and co-workers are not relevant once this error in data reduction is corrected. We also discuss the relevance of our shear strength data for various issues, such as the phase transformation of AlN at 20 GPa and the general shape of Hugoniot curves for brittle solids.

FeRh ground state and martensitic transformation

NASA Astrophysics Data System (ADS)

Zarkevich, Nikolai A.; Johnson, Duane D.

2018-01-01

Cubic B 2 FeRh exhibits a metamagnetic transition [(111) antiferromagnet (AFM) to ferromagnet (FM)] around 353 K and remains structurally stable at higher temperatures. However, the calculated zero-Kelvin phonons of AFM FeRh exhibit imaginary modes at M points in the Brillouin zone, indicating a premartensitic instability, which is a precursor to a martensitic transformation at low temperatures. Combining electronic-structure calculations with ab initio molecular dynamics, conjugate gradient relaxation, and the solid-state nudged-elastic band methods, we predict that AFM B 2 FeRh becomes unstable at ambient pressure and transforms without a barrier to an AFM(111) orthorhombic (martensitic) ground state below 90 ±10 K . We also consider competing structures, in particular, a tetragonal AFM(100) phase that is not the global ground state, as proposed [Phys. Rev. B 94, 180407(R) (2016), 10.1103/PhysRevB.94.180407], but a constrained solution.

Dynamics of ultrathin metal films on amorphous substrates under fast thermal processing

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

Favazza, Christopher; Kalyanaraman, Ramki; Sureshkumar, Radhakrishna

A mathematical model is developed to analyze the growth/decay rate of surface perturbations of an ultrathin metal film on an amorphous substrate (SiO{sub 2}). The formulation combines the approach of Mullins [W. W. Mullins, J. Appl. Phys. 30, 77 (1959)] for bulk surfaces, in which curvature-driven mass transport and surface deformation can occur by surface/volume diffusion and evaporation-condensation processes, with that of Spencer et al. [B. J. Spencer, P. W. Voorhees, and S. H. Davis, Phys. Rev. Lett. 67, 26 (1991)] to describe solid-state transport in thin films under epitaxial strain. Modifications of the Mullins model to account for thin-filmmore » boundary conditions result in qualitatively different dispersion relationships especially in the limit as kh{sub o}<<1, where k is the wavenumber of the perturbation and h{sub o} is the unperturbed film height. The model is applied to study the relative rate of solid-state mass transport as compared to that of liquid phase dewetting in a thin film subjected to a fast thermal pulse. Specifically, we have recently shown that multiple cycles of nanosecond (ns) pulsed laser melting and resolidification of ultrathin metal films on amorphous substrates can lead to the formation of various types of spatially ordered nanostructures [J. Trice, D. Thomas, C. Favazza, R. Sureshkumar, and R. Kalyanaraman, Phys. Rev. B 75, 235439 (2007)]. The pattern formation has been attributed to the dewetting of the thin film by a hydrodynamic instability. In such experiments the film is in the solid state during a substantial fraction of each thermal cycle. However, results of a linear stability analysis based on the aforementioned model suggest that solid-state mass transport has a negligible effect on morphological changes of the surface. Further, a qualitative analysis of the effect of thermoelastic stress, induced by the rapid temperature changes in the film-substrate bilayer, suggests that stress relaxation does not appreciably contribute to surface deformation. Hence, surface deformation caused by liquid phase instabilities is rapidly quenched-in during the cooling phase. This deformed state is further evolved by subsequent laser pulses. These results have implications to developing accurate computer simulations of thin-film dewetting by energetic beams aimed at the manufacturing of optically active nanoscale materials for applications including information processing, optical devices, and solar energy harvesting.« less

Dynamics of ultrathin metal films on amorphous substrates under fast thermal processing

NASA Astrophysics Data System (ADS)

Favazza, Christopher; Kalyanaraman, Ramki; Sureshkumar, Radhakrishna

2007-11-01

A mathematical model is developed to analyze the growth/decay rate of surface perturbations of an ultrathin metal film on an amorphous substrate (SiO2). The formulation combines the approach of Mullins [W. W. Mullins, J. Appl. Phys. 30, 77 (1959)] for bulk surfaces, in which curvature-driven mass transport and surface deformation can occur by surface/volume diffusion and evaporation-condensation processes, with that of Spencer etal . [B. J. Spencer, P. W. Voorhees, and S. H. Davis, Phys. Rev. Lett. 67, 26 (1991)] to describe solid-state transport in thin films under epitaxial strain. Modifications of the Mullins model to account for thin-film boundary conditions result in qualitatively different dispersion relationships especially in the limit as kho≪1, where k is the wavenumber of the perturbation and ho is the unperturbed film height. The model is applied to study the relative rate of solid-state mass transport as compared to that of liquid phase dewetting in a thin film subjected to a fast thermal pulse. Specifically, we have recently shown that multiple cycles of nanosecond (ns) pulsed laser melting and resolidification of ultrathin metal films on amorphous substrates can lead to the formation of various types of spatially ordered nanostructures [J. Trice, D. Thomas, C. Favazza, R. Sureshkumar, and R. Kalyanaraman, Phys. Rev. B 75, 235439 (2007)]. The pattern formation has been attributed to the dewetting of the thin film by a hydrodynamic instability. In such experiments the film is in the solid state during a substantial fraction of each thermal cycle. However, results of a linear stability analysis based on the aforementioned model suggest that solid-state mass transport has a negligible effect on morphological changes of the surface. Further, a qualitative analysis of the effect of thermoelastic stress, induced by the rapid temperature changes in the film-substrate bilayer, suggests that stress relaxation does not appreciably contribute to surface deformation. Hence, surface deformation caused by liquid phase instabilities is rapidly quenched-in during the cooling phase. This deformed state is further evolved by subsequent laser pulses. These results have implications to developing accurate computer simulations of thin-film dewetting by energetic beams aimed at the manufacturing of optically active nanoscale materials for applications including information processing, optical devices, and solar energy harvesting.

Elasticity of fluorite at high temperatures

NASA Astrophysics Data System (ADS)

Eke, J.; Tennakoon, S.; Mookherjee, M.

2017-12-01

Fluorite (CaF2) is a simple halide with cubic space group symmetry (Fm-3m) and is often used as an internal pressure calibrant in moderate high-pressure/high-temperature experiments [1]. In order to gain insight into the elastic behavior of fluorite, we have conducted Resonant Ultrasound Spectroscopy (RUS) on a single crystal of fluorite with rectangular parallelepiped geometry. Using single crystal X-ray diffraction, we aligned the edges of the rectangular parallelepiped with [-1 1 1], [-1 1 -2], and [-1 -1 0] crystallographic directions. We conducted the RUS measurements up to 620 K. RUS spectra are influenced by the geometry, density, and the full elastic moduli tensor of the material. In our high-temperature RUS experiments, the geometry and density were constrained using thermal expansion from previous studies [2]. We determined the elasticity by minimizing the difference between observed resonance and calculated Eigen frequency using Rayleigh-Ritz method [3]. We found that at room temperature, the single crystal elastic moduli for fluorite are 170, 49, and 33 GPa for C11, C12, and C44 respectively. At room temperatures, the aggregate bulk modulus (K) is 90 GPa and the shear modulus (G) is 43 GPa. We note that the elastic moduli and sound wave velocities decrease linearly as a function of temperature with dVP /dT and dVS /dT being -9.6 ×10-4 and -5.0 ×10-4 km/s/K respectively. Our high-temperature RUS results are in good agreement with previous studies on fluorite using both Ultrasonic methods and Brillouin scattering [4,5]. Acknowledgement: This study is supported by US NSF awards EAR-1639552 and EAR-1634422. References: [1] Speziale, S., Duffy, T. S. 2002, Phys. Chem. Miner., 29, 465-472; [2] Roberts, R. B., White, G. K., 1986, J. Phys. C: Solid State Phys., 19, 7167-7172. [3] Migliori, A., Maynard, J. D., 2005, Rev. Sci. Instrum., 76, 121301. [4] Catlow, C. R. A., Comins, J. D., Germano, F. A., Harley, R. T., Hayes, W., 1978, J. Phys. C Solid State Phys., 11, 3197; [5] Jones, L. E. A., 1977, Phys. Earth Planet. Inter., 15(1), 77-89.

The shear modulus of metastable amorphous solids with strong central and bond-bending interactions

NASA Astrophysics Data System (ADS)

Zaccone, Alessio

2009-07-01

We derive expressions for the shear modulus of deeply quenched, glassy solids, in terms of a Cauchy-Born free energy expansion around a rigid (quenched) reference state, following the approach due to Alexander (1998 Phys. Rep. 296 65). Continuum-limit explicit expressions of the shear modulus are derived starting from the microscopic Hamiltonians of central and bond-bending interactions. The applicability of the expressions to dense covalent glasses as well as colloidal glasses involving strongly attractive or adhesive bonds is discussed.

Optical and Electronic Transport Properties of Luminescent Semiconductors, Amorphous Materials and Metastable Solids.

DTIC Science & Technology

1979-02-26

Williams, Electronic States of Semiconductors with Graded Periodic Inhomogeneities, Phys. Rev. Eli, 2200 (1975) . 7. P. DiBona and R. Ewing, ESR of...Fellow) - K. Daghir, Ph.D. (1974) (IBM) P. DiBona , M.S. (1967), Ph.D. (1974) (U.S. Navy, Surface Weapons Research Laboratory) D. Hoover (current

Innovative Techniques for Studying New Materials and New Developments in Solid State Physics

DTIC Science & Technology

1992-09-14

acoustic resonators to study superfluid-filled silica aerogel , high Tc superconductors, and quasicrystals", to be published in J. Low Temp. Phys. 4. J. D...McKenna, and J. D. Maynard, "Using acoustic resonators to study superfluid-filled silica aerogel , high Tc superconductors, and quasicrystals", Symposium

Blowpipe Mineralogy for Physics/Environment: Highest-Possible-Tc SuperConductor (Beyond: (but via!!!) MgB2, Cuprates, Pnictides) Quest; BOTH PERMANENT FOREVER Carb-IDES SOLID-State Sequestration AND Drought(s)-Elimination

NASA Astrophysics Data System (ADS)

Segler, Kurt; Williams, Wendell; Siegel, Edward

2011-03-01

Detailed are old blowpipe new applications: charcoal-block reduction of borates to yield ("N-NW" of MgB2) Overhauser-[PR 35,1,411(1987); Intl.J.Mod.Phys.1, 2 & 4, 927(1987)]-"land" predicted high-EST-POSSIBLE Tc SC "LiD2"; very-early: Siegel[Phys.Stat.Sol.(a)11,45(1972);Semiconductors.and Insulators 5: 39,47,62(1979)] carb-IDES SOLID-state phase-TRANSITIONED CHEMICALLY-REDOX"-REACTED STABLE PERMANENT LONG-term NOT "CO2" BUT C-sequestration: PROFITABLE "Grab and Sell" TRUMPS "cap and trade"!!!; Mott alloying/vertical metal-insulator transitions in "borax-(GLASS)-beads"; and very-earlySiegel [{3rd Intl.Conf.Alt.Energy }(1980)-vol.5/p.459!!!] "FLYING-WATER" Hindenberg-effect (H2-UP;H2O-DOWN) via Hydrogen-maximal-Archimedes-buoyancy "chemical-rain-in-pipelines", only via Siegel proprietary "magnetic-hydrogen-valve"(MHV): Renewables-Hydrogen-Water flexible versatile agile scaleable retrofitable integrated operating-system for PERMANENT drought(s)-elimination FOREVER!!!

Singles correlation energy contributions in solids

NASA Astrophysics Data System (ADS)

Klimeš, Jiří; Kaltak, Merzuk; Maggio, Emanuele; Kresse, Georg

2015-09-01

The random phase approximation to the correlation energy often yields highly accurate results for condensed matter systems. However, ways how to improve its accuracy are being sought and here we explore the relevance of singles contributions for prototypical solid state systems. We set out with a derivation of the random phase approximation using the adiabatic connection and fluctuation dissipation theorem, but contrary to the most commonly used derivation, the density is allowed to vary along the coupling constant integral. This yields results closely paralleling standard perturbation theory. We re-derive the standard singles of Görling-Levy perturbation theory [A. Görling and M. Levy, Phys. Rev. A 50, 196 (1994)], highlight the analogy of our expression to the renormalized singles introduced by Ren and coworkers [Phys. Rev. Lett. 106, 153003 (2011)], and introduce a new approximation for the singles using the density matrix in the random phase approximation. We discuss the physical relevance and importance of singles alongside illustrative examples of simple weakly bonded systems, including rare gas solids (Ne, Ar, Xe), ice, adsorption of water on NaCl, and solid benzene. The effect of singles on covalently and metallically bonded systems is also discussed.

Wetting transition on patterned surfaces: transition states and energy barriers.

PubMed

Ren, Weiqing

2014-03-18

We study the wetting transition on microstructured hydrophobic surfaces. We use the string method [J. Chem. Phys. 2007, 126, 164103; J. Chem. Phys. 2013, 138, 134105] to accurately compute the transition states, the energy barriers, and the minimum energy paths for the wetting transition from the Cassie-Baxter state to the Wenzel state. Numerical results are obtained for the wetting of a hydrophobic surface textured with a square lattice of pillars. It is found that the wetting of the solid substrate occurs via infiltration of the liquid in a single groove, followed by lateral propagation of the liquid front. The propagation of the liquid front proceeds in a stepwise manner, and a zipping mechanism is observed during the infiltration of each layer. The minimum energy path for the wetting transition goes through a sequence of intermediate metastable states, whose wetted areas reflect the microstructure of the patterned surface. We also study the dependence of the energy barrier on the drop size and the gap between the pillars.

High-harmonic generation from Bloch electrons in solids

NASA Astrophysics Data System (ADS)

Wu, Mengxi; Ghimire, Shambhu; Reis, David A.; Schafer, Kenneth J.; Gaarde, Mette B.

2015-04-01

We study the generation of high-harmonic radiation by Bloch electrons in a model transparent solid driven by a strong midinfrared laser field. We solve the single-electron time-dependent Schrödinger equation (TDSE) using a velocity-gauge method [M. Korbman et al., New J. Phys. 15, 013006 (2013), 10.1088/1367-2630/15/1/013006] that is numerically stable as the laser intensity and number of energy bands are increased. The resulting harmonic spectrum exhibits a primary plateau due to the coupling of the valence band to the first conduction band, with a cutoff energy that scales linearly with field strength and laser wavelength. We also find a weaker second plateau due to coupling to higher-lying conduction bands, with a cutoff that is also approximately linear in the field strength. To facilitate the analysis of the time-frequency characteristics of the emitted harmonics, we also solve the TDSE in a time-dependent basis set, the Houston states [J. B. Krieger and G. J. Iafrate, Phys. Rev. B 33, 5494 (1986), 10.1103/PhysRevB.33.5494], which allows us to separate interband and intraband contributions to the time-dependent current. We find that the interband and intraband contributions display very different time-frequency characteristics. We show that solutions in these two bases are equivalent under a unitary transformation but that, unlike the velocity-gauge method, the Houston state treatment is numerically unstable when more than a few low-lying energy bands are used.

Solid-State 15N NMR of 15N-Labeled Nylon 6 and Nylon 11

DTIC Science & Technology

1990-05-22

S. Veeman, E. M. Menger, W. Ritchey, and E. de Boer, Macromolecules, 1979, 12, 924. 2. A. N. Garroway , W. M. Ritchey and W. B. Moniz, Macromolecules...S. Veeman and E. M. Menger, Bull. Magn. Reson., 1980, 2, 77. 26. D. L. VanderHart and A. N. Garroway , J. Chem. Phys., 1979, 71, 2773. 27. M. D

Synthesis and Functionalization of Atomic Layer Boron Nitride Nanosheets for Advanced Material Applications

DTIC Science & Technology

2014-06-05

PAGES 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 5c. PROGRAM ELEMENT NUMBER 5b. GRANT NUMBER 5a. CONTRACT NUMBER Form Approved OMB...Phys., 89, (2001) 5243. [14] M. Depas, R. L. Van Meirhaegue, W. H. Laflère, F. Cardon , Solid- State Electron, 37, (1994) 433. [15] Muhammad Sajjad

Blowpipe Mineralogy for Physics/Environment: Highest-Possible-Tc SC Quest; BOTH PERMANENT FOREVER Carb-IDES SOLID-State Sequestration AND Drought(s)-Elimination

NASA Astrophysics Data System (ADS)

Segler, Kurt; Williams, W.; Siegel, E.

2010-03-01

Detailed are old blowpipe[Kraus,Hunt,Ramsdell, Mineralogy (1936)] new applications:charcoal-block reduction of borates to yield (``N-NW'' of MgB2) Overhauser-[PR 35,1,411(1987); Intl.J.Mod.Phys.1,2 & 4,927(1987)]-``land'' predicted high-EST- POSSIBLE Tc SC ˜ ``LiD2''; very-early: Siegel[Phys.Stat.Sol.(a) 11,45(1972);Semiconductors & Insulators 5: 39,47,62(1979)] carb- IDES SOLID-state phase-TRANSITIONED CHEMICALLY-REDOX"-REACTED STABLE PERMANENT LONG-term STRATEGY, NOT ``CO2" BUT NON-gas Carbon-``ELEMENT"-sequestration: PROFITABLE MARKETABLE SALEABLE VALUABLE USEFUL ``Grab and Sell" TRUMPS ``cap and trade"!!!; Mott alloying/vertical metal-insulator transitions in ``borax-(GLASS)- beads"; and very-early Siegel [3rd Intl.Conf.Alt.Energy,Hemi- sphere/Springer(1980)-vol.5/p.459] ``FLYING-WATER" ``Hindenberg- effect"(H2-UP;H2O-DOWN) via H2-maximal-Archimedes-buoyancy ``chemical-rain-in-piplines", only via Siegel GMR enabled diffusive-magnetoresistance(DMR)enabled Siegel proprietary ``magnetic-H-valve": Renewables-H2-H2O purposely flexible versatile agile scaleable retrofitable integrated operating- system for PERMANENT drought(s)-elimination FOREVER!!!

Accelerated transport and growth with symmetrized dynamics

NASA Astrophysics Data System (ADS)

Merikoski, Juha

2013-12-01

In this paper we consider a model of accelerated dynamics with the rules modified from those of the recently proposed [Dong et al., Phys. Rev. Lett. 109, 130602 (2012), 10.1103/PhysRevLett.109.130602] accelerated exclusion process (AEP) such that particle-vacancy symmetry is restored to facilitate a mapping to a solid-on-solid growth model in 1+1 dimensions. In addition to kicking a particle ahead of the moving particle, as in the AEP, in our model another particle from behind is drawn, provided it is within the "distance of interaction" denoted by ℓmax. We call our model the doubly accelerated exclusion process (DAEP). We observe accelerated transport and interface growth and widening of the cluster size distribution for cluster sizes above ℓmax, when compared with the ordinary totally asymmetric exclusion process (TASEP). We also characterize the difference between the TASEP, AEP, and DAEP by computing a "staggered" order parameter, which reveals the local order in the steady state. This order in part explains the behavior of the particle current as a function of density. The differences of the steady states are also reflected by the behavior of the temporal and spatial correlation functions in the interface picture.

High School Physics Teacher Outreach Programs at California State University Long Beach

NASA Astrophysics Data System (ADS)

Kwon, Chuhee; Pickett, Galen; Henriques, Laura

2013-03-01

One of the goals of the CSULB PhysTEC project has been to establish a physics teaching community that partners CSULB faculty, high school teachers, pre-service teachers, and physics students. In two years, we have created a solid sustainable Physics Teacher Network with local high school teachers. We will discuss the successful outreach programs for high school physics teachers at CSULB and the detailed logistics. Teacher-In-Residence (TIR), high school physics teachers working with the CSULB PhysTEC team, has provided invaluable input for designing and implementing outreach events. The department organizes biannual open house for local high school teachers and their students. The open house event is attended by pre-service teachers, physics undergraduate and graduate students, and faculty. We also host the monthly demo-sharing day that physics teachers bring and share topical demos, which has about 30 - 50 attendees each month. The CSULB PhysTEC project also distributes a monthly newsletter for local physics teachers with upcoming events and information about teaching, and this newsletter is organized and written by TIR. This work is supported by the PhysTEC grant.

Alternative first-principles calculation of entropy for liquids

DOE PAGES

Meyer, Edmund R.; Ticknor, Christopher; Kress, Joel D.; ...

2016-04-15

Here, w present an alternative method for interpreting the velocity autocorrelation function (VACF) of a fluid with application to extracting the entropy in a manner similar to the methods developed by Lin et al. [J. Chem. Phys. 119, 11792 (2003)] and improved upon by Desjarlais [Phys. Rev. E 88, 062145 (2013)]. The liquid VACF is decomposed into two components, one gas and one solid, and each contribution's entropic portion is calculated. But, we fit both the gas and solid portions of the VACF in the time domain. This approach is applied to a single-component liquid (a two-phase model of liquidmore » Al at the melt line) and two different two-component systems: a superionic-to-superionic (bcc to fcc) phase transition in H 2 O at high temperatures and pressures and a metastable liquid state of MgO. Finally, for all three examples, comparisons to existing results in the literature demonstrate the validity of our alternative.« less

Boron Nitride Substrates for High Mobility Chemical Vapor Deposited Graphene

DTIC Science & Technology

2011-06-13

Hone, H. L. Stormer , and P. Kim, Phys. Rev. Lett. 101, 096802 2008. 5K. I. Bolotin, K. J. Sikes, Z. Jiang, M. Klima, G. Fudenberg, J. Hone, P. Kim, and...H. L. Stormer , Solid State Commun. 146, 351 2008. 6S. Berciaud, S. Ryu, L. E. Brus, and T. F. Heinz, Nano Lett. 9, 346 2009. 7S. Bae, H. Kim, Y

The validation and preference among different EAM potentials to describe the solid-liquid transition of aluminum

NASA Astrophysics Data System (ADS)

Jiang, Yewei; Luo, Jie; Wu, Yongquan

2017-06-01

Empirical potential is vital to the classic atomic simulation, especially for the study of phase transitions, as well as the solid-interface. In this paper, we attempt to set up a uniform procedure for the validation among different potentials before the formal simulation study of phase transitions of metals. Two main steps are involved: (1) the prediction of the structures of both solid and liquid phases and their mutual transitions, i.e. melting and crystallization; (2) the prediction of vital thermodynamic (the equilibrium melting point at ambient pressure) and dynamic properties (the degrees of superheating and undercooling). We applied this procedure to the testing of seven published embedded-atom potentials (MKBA (Mendelev et al 2008 Philos. Mag. 88 1723), MFMP (Mishin et al 1999 Phys. Rev. B 59 3393), MDSL (Sturgeon and Laird 2000 Phys. Rev. B 62 14720), ZM (Zope and Mishin 2003 Phys. Rev. B 68 024102), LEA (Liu et al 2004 Model. Simul. Mater. Sci. Eng. 12 665), WKG (Winey et al 2009 Model. Simul. Mater. Sci. Eng. 17 055004) and ZJW (Zhou et al 2004 Phys. Rev. B 69 144113)) for the description of the solid-liquid transition of Al. All the predictions of structure, melting point and superheating/undercooling degrees were compared with the experiments or theoretical calculations. Then, two of them, MKBA and MDSL, were proven suitable for the study of the solid-liquid transition of Al while the residuals were unqualified. However, potential MKBA is more accurate to predict the structures of solid and liquid, while MDSL works a little better in the thermodynamic and dynamic predictions of solid-liquid transitions.

GIPAW (gauge including projected augmented wave) and local dynamics in 13C and 29Si solid state NMR: the study case of silsesquioxanes (RSiO1.5)8.

PubMed

Gervais, Christel; Bonhomme-Coury, Laure; Mauri, Francesco; Babonneau, Florence; Bonhomme, Christian

2009-08-28

Octameric silsesquioxanes (RSiO(1.5))(8) are versatile and interesting nano building blocks, suitable for the synthesis of nanocomposites with controlled porosity. In this paper, we revisit the (29)Si and (13)C solid state NMR spectroscopy for this class of materials, by using GIPAW (gauge including projected augmented wave) first principles calculations [Pickard & Mauri, Phys. Rev. B, 2001, 63, 245101]. Full tensorial data, including the chemical shift anisotropies (CSA) and the absolute orientation of the corresponding principal axes systems (PAS), were calculated. Subsequent averaging of the calculated tensors (due to fast reorientation of the R groups around the Si-C bonds) allowed for the interpretation of the strong reduction of CSA and dipolar couplings for these derivatives. Good agreement was observed between the averaged calculated data and the experimental parameters. Interesting questions related to the interplay between X-ray crystallography and solid state NMR are raised and will be emphasized.

Study of methods to increase cluster/dislocation loop densities in electrodes

NASA Astrophysics Data System (ADS)

Yang, Xiaoling; Miley, George H.

2009-03-01

Recent research has developed a technique for imbedding ultra-high density deuterium ``clusters'' (50 to 100 atoms per cluster) in various metals such as Palladium (Pd), Beryllium (Be) and Lithium (Li). It was found the thermally dehydrogenated PdHx retained the clusters and exhibited up to 12 percent lower resistance compared to the virginal Pd samplesootnotetextA. G. Lipson, et al. Phys. Solid State. 39 (1997) 1891. SQUID measurements showed that in Pd these condensed matter clusters approach metallic conditions, exhibiting superconducting propertiesootnotetextA. Lipson, et al. Phys. Rev. B 72, 212507 (2005ootnotetextA. G. Lipson, et al. Phys. Lett. A 339, (2005) 414-423. If the fabrication methods under study are successful, a large packing fraction of nuclear reactive clusters can be developed in the electrodes by electrolyte or high pressure gas loading. This will provide a much higher low-energy-nuclear- reaction (LENR) rate than achieved with earlier electrodeootnotetextCastano, C.H., et al. Proc. ICCF-9, Beijing, China 19-24 May, 2002..

Travelling-wave amplitudes as solutions of the phase-field crystal equation

NASA Astrophysics Data System (ADS)

Nizovtseva, I. G.; Galenko, P. K.

2018-01-01

The dynamics of the diffuse interface between liquid and solid states is analysed. The diffuse interface is considered as an envelope of atomic density amplitudes as predicted by the phase-field crystal model (Elder et al. 2004 Phys. Rev. E 70, 051605 (doi:10.1103/PhysRevE.70.051605); Elder et al. 2007 Phys. Rev. B 75, 064107 (doi:10.1103/PhysRevB.75.064107)). The propagation of crystalline amplitudes into metastable liquid is described by the hyperbolic equation of an extended Allen-Cahn type (Galenko & Jou 2005 Phys. Rev. E 71, 046125 (doi:10.1103/PhysRevE.71.046125)) for which the complete set of analytical travelling-wave solutions is obtained by the method (Malfliet & Hereman 1996 Phys. Scr. 15, 563-568 (doi:10.1088/0031-8949/54/6/003); Wazwaz 2004 Appl. Math. Comput. 154, 713-723 (doi:10.1016/S0096-3003(03)00745-8)). The general solution of travelling waves is based on the function of hyperbolic tangent. Together with its set of particular solutions, the general solution is analysed within an example of specific task about the crystal front invading metastable liquid (Galenko et al. 2015 Phys. D 308, 1-10 (doi:10.1016/j.physd.2015.06.002)). The influence of the driving force on the phase-field profile, amplitude velocity and correlation length is investigated for various relaxation times of the gradient flow. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

Solid State Research.

DTIC Science & Technology

1996-08-01

Failure of Superconducting Microwave Filters: Investigation by Means of Thermal Imaging G. Hampel* P . Kolodner* P . L. Gammel* P . A. Polakos* E...deObaldia* P . M. Mankiewich* A. Anderson R. Slattery D. Zhang* G. C. Liang* C. F. Shih* Appl. Phys. Lett. 69, 571 (1996) Reflective Linearized...Digest Series, Vol. 6 (Optical Society of America, Washington, D.C., 1996), p . 626 Effects of Low-Temperature-Grown GaAs and AlGaAs on the Current

The Nobel Prize in Medicine for Magnetic Resonance Imaging

NASA Astrophysics Data System (ADS)

Fry, Charles G.

2004-07-01

A review is given of the crucial work performed by Paul C. Lauterbur and Peter Mansfield that lead to their being awarded the Nobel Prize in Medicine in 2003. Lauterbur first expounded the idea of mapping spatial information from spectral data in nuclear magnetic resonance (NMR) through the application of magnetic field gradients (P. C. Lauterbur, Nature 1973 , 242, 190-191). One year later Mansfield and co-workers introduced the idea of selective excitation to NMR imaging (A. N. Garroway, P. K. Grannell, and P. Mansfield. J. Phys. C: Solid State Physics 1974 , 7, L457-L462). A major step in making the technique useful for clinical imaging came with Mansfield's publication of the method known as echo planar imaging (P. Mansfield, J. Phys. C: Solid State Physics 1977, 10 (3) , L55-L58). Lauterbur's and Mansfield's work captured the essence of scientific discovery, collaboration, and concerted effort to overcome significant technical issues, and were key to the development of the technique of magnetic resonance imaging (MRI). Examples of how MRI technology can be extended to chemical research are given, and limitations of the technique in this regard are discussed. Discussion of how to use commonly available NMR spectrometers for chemical imaging is also provided.

Majorana-Fermions, Their-Own Antiparticles, Following Non-Abelian Anyon/Semion Quantum-Statistics : Solid-State MEETS Particle Physics Neutrinos: Spin-Orbit-Coupled Superconductors and/or Superfluids to Neutrinos; Insulator-Heisenberg-Antiferromagnet MnF2 Majorana-Siegel-Birgenau-Keimer - Effect

NASA Astrophysics Data System (ADS)

Majorana-Fermi-Segre, E.-L.; Antonoff-Overhauser-Salam, Marvin-Albert-Abdus; Siegel, Edward Carl-Ludwig

2013-03-01

Majorana-fermions, being their own antiparticles, following non-Abelian anyon/semion quantum-statistics: in Zhang et.al.-...-Detwiler et.al.-...``Worlds-in-Collision'': solid-state/condensed-matter - physics spin-orbit - coupled topological-excitations in superconductors and/or superfluids -to- particle-physics neutrinos: ``When `Worlds' Collide'', analysis via Siegel[Schrodinger Centenary Symp., Imperial College, London (1987); in The Copenhagen-Interpretation Fifty-Years After the Como-Lecture, Symp. Fdns. Mod.-Phys., Joensu(1987); Symp. on Fractals, MRS Fall-Mtg., Boston(1989)-5-papers!!!] ``complex quantum-statistics in fractal-dimensions'', which explains hidden-dark-matter(HDM) IN Siegel ``Sephirot'' scenario for The Creation, uses Takagi[Prog.Theo.Phys. Suppl.88,1(86)]-Ooguri[PR D33,357(85)] - Picard-Lefschetz-Arnol'd-Vassil'ev[``Principia Read After 300 Years'', Not.AMS(1989); quantum-theory caveats comment-letters(1990); Applied Picard-Lefschetz Theory, AMS(2006)] - theorem quantum-statistics, which via Euler- formula becomes which via de Moivre- -formula further becomes which on unit-circle is only real for only, i.e, for, versus complex with imaginary-damping denominator for, i.e, for, such that Fermi-Dirac quantum-statistics for

Constitutive relation for the system-spanning dynamically jammed region in response to impact of cornstarch and water suspensions

NASA Astrophysics Data System (ADS)

Maharjan, Rijan; Mukhopadhyay, Shomeek; Allen, Benjamin; Storz, Tobias; Brown, Eric

2018-05-01

We experimentally characterize the impact response of concentrated suspensions consisting of cornstarch and water. We observe that the suspensions support a large normal stress—on the order of MPa—with a delay after the impactor hits the suspension surface. We show that neither the delay nor the magnitude of the stress can yet be explained by either standard rheological models of shear thickening in terms of steady-state viscosities, or impact models based on added mass or other inertial effects. The stress increase occurs when a dynamically jammed region of the suspension in front of the impactor propagates to the opposite boundary of the container, which can support large stresses when it spans between solid boundaries. We present a constitutive relation for impact rheology to relate the force on the impactor to its displacement. This can be described in terms of an effective modulus but only after the delay required for the dynamically jammed region to span between solid boundaries. Both the modulus and the delay are reported as a function of impact velocity, fluid height, and weight fraction. We report in a companion paper the structure of the dynamically jammed region when it spans between the impactor and the opposite boundary [Allen et al., Phys. Rev. E 97, 052603 (2018), 10.1103/PhysRevE.97.052603]. In a direct follow-up paper, we show that this constitutive model can be used to quantitatively predict, for example, the trajectory and penetration depth of the foot of a person walking or running on cornstarch and water [Mukhopadhyay et al., Phys. Rev. E 97, 052604 (2018), 10.1103/PhysRevE.97.052604].

Reply to “Comment on ‘Molybdenum sound velocity and shear modulus softening under shock compression’”

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

Nguyen, Jeffrey H.; Akin, Minta C.; Chau, Ricky

2015-07-01

Here, we respond to the Comment by Errandonea et al. [Phys. Rev. B 92, 026101 (2015)] on their reinterpretation of our published data [Nguyen et al., Phys. Rev. B 89, 174109 (2014)]. In the original paper, we argued that there is no solid-solid phase transition along the Hugoniot at 2.1 Mbars. There is, however, a softening of the shear modulus starting at 2.6 Mbars. Errandonea et al. [Phys. Rev. B 92, 026101 (2015)] reinterpreted our data and concluded that there is a structural change near 2.3 Mbars on the Hugoniot. Finally, we will explore the differences and agreements in themore » two interpretations of our data.« less

Solid-State Laser Cooling of Ytterbium-Doped Tungstate Crystals

DTIC Science & Technology

2001-01-01

namely the heavy metal fluoride glass ZBLAN and yttrium aluminum garnet . Favorable properties of the ytterbium-tungstates include exceptionally high...Optical refrigeration in Nd-doped yttrium aluminum garnet ,” Phys. Rev. Lett. 21, 1172 (1968). 2M.S. Chang, S.S. Elliott, T.K. Gustafson, C. Hu, and...idea gained experimental feasibility. Even with this tool, early failures to optically cool condensed media such as Nd3+ doped in yttrium aluminum

Inhomogeneities in particle composition of single, levitated aerosol particles observed by Mie resonance spectroscopy

NASA Astrophysics Data System (ADS)

Krieger, Ulrich; Lienhard, Daniel; Bastelberger, Sandra; Steimer, Sarah

2014-05-01

Recent observations have indicated that organic aerosol particles in the atmosphere may exist in an amorphous semi-solid or even solid (i.e. glassy) state, e.g. [1]. The influence of highly viscous and glassy states on the timescale of aerosol particle equilibration with respect to water vapor have been investigated for some model systems of atmospheric aerosol, e.g. [2,3]. In particular, it has been shown that the kinetics of the water absorption/desorption process is controlled entirely by liquid-phase diffusion of water molecules for a highly viscous aerosol particle. A liquid phase diffusion model based on numerically solving the non-linear diffusion equation predicts strong internal gradients in water concentration when condensed phase diffusion impedes the water uptake from the gas phase [2]. Here we observe and quantify the internal concentration gradients in single, levitated, micron size aerosol particles of aqueous shikimic acid using elastic Mie resonance spectroscopy. A single, aqueous particle is levitated in an electro-dynamic balance (for details see [2]), dried for several days at room temperature, cooled to the target temperature and exposed to a rapid change in relative humidity. In addition to measuring the elastically backscattered light of a "white light" LED source and recording the full spectrum with a spectrograph as in [2], we use a tunable diode laser (TDL) to scan high resolution TE- and TM spectra. This combination allows observing various Mie resonance mode orders simultaneously. Since we perform the experiment at low temperatures and low humidities the changes in the Mie-spectra due to water uptake are sufficiently slow to resolve the kinetics. Experimental Mie resonance spectra are inverted to concentration profiles of water within the particle by applying the numerical diffusion model [2] in conjunction with Mie calculations of multilayered spheres [4]. [1] A. Virtanen et al. (2010): An amorphous solid state of biogenic secondary organic aerosol particles, Nature 467, 824-827. [2] B. Zobrist et al. (2011): Ultra-slow water diffusion in aqueous sucrose glasses, Phys. Chem. Chem. Phys. 13, 3514-3526. [3] D. L. Bones, J. P. Reid, D. M. Lienhard, and U. K. Krieger (2012): Comparing the mechanism of water condensation and evaporation in glassy aerosol, PNAS 109, 11613-11618. [4] O. Peña and U. Pal (2009): Scattering of electromagnetic radiation by a multilayered sphere, Comput. Phys. Commun. 180, 2348-2354.

Resistive-force theory for mesh-like superhydrophobic surfaces

NASA Astrophysics Data System (ADS)

Schnitzer, Ory; Yariv, Ehud

2018-03-01

A common realization of superhydrophobic surfaces makes use of a mesh-like geometry, where pockets of air are trapped in a periodic array of holes in a no-slip solid substrate. We consider the small-solid-fraction limit where the ribs of the mesh are narrow. In this limit, we obtain a simple leading-order approximation for the slip-length tensor of an arbitrary mesh geometry. This approximation scales as the solid-fraction logarithm, as anticipated by Ybert et al. [Phys. Fluids 19, 123601 (2007), 10.1063/1.2815730]; in the special case of a square mesh it agrees with the analytical results obtained by Davis and Lauga [Phys. Fluids 21, 113101 (2009), 10.1063/1.3250947].

Proceedings of the Tenth International Winterschool on New Developments in Solid State Physics "New Frontiers in Low-Dimensional Physics," Held in Mauterndorf, Austria, on 23-27 February 1998

DTIC Science & Technology

1998-02-01

Pfeiffer, K.W. West, cially pronounced for emission from the antibonding Science 264 (1994) 1740. level. This decrease of the exciton lifetime for...1996)1624. R.T Cox, A. Tardot, C. Grattepain, J. Appl. Phys. 7211(96124R.T92) Cox,; A. Tardot, C. G rattepain, J. WapD . Phy. 7 [26] R. Egger, H

Easy-Going On-Spectrometer Optimisation of Phase Modulated Homonuclear Decoupling Sequences in Solid-State NMR

NASA Astrophysics Data System (ADS)

Grimminck, Dennis L. A. G.; Vasa, Suresh K.; Meerts, W. Leo; Kentgens, P. M.

2011-06-01

A global optimisation scheme for phase modulated proton homonuclear decoupling sequences in solid-state NMR is presented. Phase modulations, parameterised by DUMBO Fourier coefficients, were optimized using a Covariance Matrix Adaptation Evolution Strategies algorithm. Our method, denoted EASY-GOING homonuclear decoupling, starts with featureless spectra and optimises proton-proton decoupling, during either proton or carbon signal detection. On the one hand, our solutions closely resemble (e)DUMBO for moderate sample spinning frequencies and medium radio-frequency (rf) field strengths. On the other hand, the EASY-GOING approach resulted in a superior solution, achieving significantly better resolved proton spectra at very high 680 kHz rf field strength. N. Hansen, and A. Ostermeier. Evol. Comput. 9 (2001) 159-195 B. Elena, G. de Paepe, L. Emsley. Chem. Phys. Lett. 398 (2004) 532-538

Nanosystems in ultrafast and superstrong fields: attosecond phenomena (Conference Presentation)

NASA Astrophysics Data System (ADS)

Stockman, Mark I.

2017-02-01

We present our latest results for a new class of phenomena in condensed matter nanooptics when a strong optical field ˜1-3 V/Å changes a solid within optical cycle [1-8]. Such a pulse drives ampere-scale currents in dielectrics and adiabatically controls their properties, including optical absorption and reflection, extreme UV absorption, and generation of high harmonics [9] in a non-perturbative manner on a 100-as temporal scale. Applied to a metal, such a pulse causes an instantaneous and, potentially, reversible change from the metallic to semimetallic properties. We will also discuss our latest theoretical results on graphene that in a strong ultrashort pulse field exhibits unique behavior [10-12]. New phenomena are predicted for buckled two-dimensional solids, silicene and germanene [13]. These are fastest phenomena in optics unfolding within half period of light. They offer potential for petahertz-bandwidth signal processing, generation of high harmonics on a nanometer spatial scale, etc. References 1. M. Durach, A. Rusina, M. F. Kling, and M. I. Stockman, Metallization of Nanofilms in Strong Adiabatic Electric Fields, Phys. Rev. Lett. 105, 086803-1-4 (2010). 2. M. Durach, A. Rusina, M. F. Kling, and M. I. Stockman, Predicted Ultrafast Dynamic Metallization of Dielectric Nanofilms by Strong Single-Cycle Optical Fields, Phys. Rev. Lett. 107, 086602-1-5 (2011). 3. A. Schiffrin, T. Paasch-Colberg, N. Karpowicz, V. Apalkov, D. Gerster, S. Muhlbrandt, M. Korbman, J. Reichert, M. Schultze, S. Holzner, J. V. Barth, R. Kienberger, R. Ernstorfer, V. S. Yakovlev, M. I. Stockman, and F. Krausz, Optical-Field-Induced Current in Dielectrics, Nature 493, 70-74 (2013). 4. M. Schultze, E. M. Bothschafter, A. Sommer, S. Holzner, W. Schweinberger, M. Fiess, M. Hofstetter, R. Kienberger, V. Apalkov, V. S. Yakovlev, M. I. Stockman, and F. Krausz, Controlling Dielectrics with the Electric Field of Light, Nature 493, 75-78 (2013). 5. V. Apalkov and M. I. Stockman, Metal Nanofilm in Strong Ultrafast Optical Fields, Phys. Rev. B 88, 245438-1-7 (2013). 6. V. Apalkov and M. I. Stockman, Theory of Dielectric Nanofilms in Strong Ultrafast Optical Fields, Phys. Rev. B 86, 165118-1-13 (2012). 7. F. Krausz and M. I. Stockman, Attosecond Metrology: From Electron Capture to Future Signal Processing, Nat. Phot. 8, 205-213 (2014). 8. O. Kwon, T. Paasch-Colberg, V. Apalkov, B.-K. Kim, J.-J. Kim, M. I. Stockman, and D. E. Kim, Semimetallization of Dielectrics in Strong Optical Fields, Sci. Rep, 6, 21272-1-9 (2016). 9. T. Higuchi, M. I. Stockman, and P. Hommelhoff, Strong-Field Perspective on High-Harmonic Radiation from Bulk Solids, Phys. Rev. Lett. 113, 213901-1-5 (2014). 10. H. K. Kelardeh, V. Apalkov, and M. I. Stockman, Wannier-Stark States of Graphene in Strong Electric Field, Phys. Rev. B 90, 085313-1-11 (2014). 11. H. K. Kelardeh, V. Apalkov, and M. I. Stockman, Graphene in Ultrafast and Superstrong Laser Fields, Phys. Rev. B 91, 0454391-8 (2015). 12. H. K. Kelardeh, V. Apalkov, and M. I. Stockman, Attosecond Strong-Field Interferometry in Graphene: Chirality, Singularity, and Berry Phase, Phys. Rev. B 93, 155434-1-7 (2016). 13. H. K. Kelardeh, V. Apalkov, and M. I. Stockman, Ultrafast Field Control of Symmetry, Reciprocity, and Reversibility in Buckled Graphene-Like Materials, Phys. Rev. B 92, 045413-1-9 (2015).

Nonlinear waves in solids with slow dynamics: an internal-variable model.

PubMed

Berjamin, H; Favrie, N; Lombard, B; Chiavassa, G

2017-05-01

In heterogeneous solids such as rocks and concrete, the speed of sound diminishes with the strain amplitude of a dynamic loading (softening). This decrease, known as 'slow dynamics', occurs at time scales larger than the period of the forcing. Also, hysteresis is observed in the steady-state response. The phenomenological model by Vakhnenko et al. (2004 Phys. Rev. E 70, 015602. (doi:10.1103/PhysRevE.70.015602)) is based on a variable that describes the softening of the material. However, this model is one dimensional and it is not thermodynamically admissible. In the present article, a three-dimensional model is derived in the framework of the finite-strain theory. An internal variable that describes the softening of the material is introduced, as well as an expression of the specific internal energy. A mechanical constitutive law is deduced from the Clausius-Duhem inequality. Moreover, a family of evolution equations for the internal variable is proposed. Here, an evolution equation with one relaxation time is chosen. By construction, this new model of the continuum is thermodynamically admissible and dissipative (inelastic). In the case of small uniaxial deformations, it is shown analytically that the model reproduces qualitatively the main features of real experiments.

Atomic Tailoring of the Solid State Materials for Laser Cryogenic Coolers

DTIC Science & Technology

2010-04-01

Opt. 24, 1041 (1999) [15] C. W. Hoyt, M. Sheik- Bahae , R. I . Epstein, B. C. Edwards, and J. E. Anderson, Phys. Rev. Lett. 85, 3600 (2000) [16] J...21] M. Sheik- Bahae and R. I . Epstein, Nature Photonics, 1, 693 (2007) [22] M. Sheik- Bahae (Private Communications) [23] J. Fernandez, A. J...introduced and initiated by the Air Force Office of Scientific Research. It was made possible by a grant from them. I greatly appreciate their

Materials for Optical Cryocoolers

DTIC Science & Technology

2013-12-07

Melgaard, R. I . Epstein, A. Di Lieto, M. Tonelli, and M. Sheik- Bahae , “Precise determination of minimum achievable temperature for solid-state optical...M. G. Brik and K. W. Krämer, J. Lumin., 2013, 136, 221–239. 13 D. V. Seletskiy, M. P. Hehlen, R. I . Epstein and M. Sheik- Bahae , Adv. Opt... I . Epstein, Phys. Rev. Lett., 2004, 92, 24740. 16 M. Sheik- Bahae and R. I . Epstein, Nat. Photonics, 2007, 1, 693–699. 17 G. Rupper, N. H. Kwong and R

Host Materials for Transition-Metal Ions

DTIC Science & Technology

1989-09-01

Spectra of 3d Transition Elements in KMgF3 Crystal, Soy. Phys. Solid State 19 (1977), 340. 21. H . Onuki , F. Sugawara, M. Hirano, and Y. Yamaguchi...on Cs2SnBr 6 .... h ............. 84 13.2 Crystal-Field Components, Anm, for Sn (Oh) Site .............. 814 13.3 Experimental Parameters...A.M VSg Kleef, Y. N. .3oshi, and R. P. Srivastava, Analysis of’ Cd V: I.--4Ida-id’ 5p Transitions, Physica 114IC (1982), 105. 15. H . Benschop, Y. N

Spins and photons: connecting quantum registers in diamond

NASA Astrophysics Data System (ADS)

Childress, Lily

2012-06-01

Long-lived electronic and nuclear spin states have made the nitrogen-vacancy (NV) defect in diamond a leading candidate for quantum information processing in the solid state. Multi-qubit quantum registers formed by single defects and nearby nuclear spins can currently be controlled and detected with high fidelity. Nevertheless, development of coherent connections between distant NVs remains an outstanding challenge. One advantage to working with solid-state defects is the opportunity to integrate them with microfabricated mechanical, electronic, or optical devices; in principle, such devices could mediate interactions between registers, turning them into nodes within a larger quantum network. In the last few months, several experiments have made key steps toward realizing a coherent quantum interface between individual NV centers using a mechanical quantum bus [1] or optical channels [2,3]. This talk will explore the current state of the art, and report on recent observation of two photon quantum interference between different gate-tunable defect centers [2]. These results pave the way towards measurement-based entanglement between remote NV centers and the realization of quantum networks with solid-state spins.[4pt] [1] Kolkowitz et al., Science 335, 1603 (2012)[2] Bernien et al., Phys. Rev. Lett. 108, 043604 (2012)[3] Sipahigil et al., http://lanl.arxiv.org/abs/1112.3975

Improved heteronuclear dipolar decoupling sequences for liquid-crystal NMR

NASA Astrophysics Data System (ADS)

Thakur, Rajendra Singh; Kurur, Narayanan D.; Madhu, P. K.

2007-04-01

Recently we introduced a radiofrequency pulse scheme for heteronuclear dipolar decoupling in solid-state nuclear magnetic resonance under magic-angle spinning [R.S. Thakur, N.D. Kurur, P.K. Madhu, Swept-frequency two-pulse phase modulation for heteronuclear dipolar decoupling in solid-state NMR, Chem. Phys. Lett. 426 (2006) 459-463]. Variants of this sequence, swept-frequency TPPM, employing frequency modulation of different types have been further tested to improve the efficiency of heteronuclear dipolar decoupling. Among these, certain sequences that were found to perform well at lower spinning speeds are demonstrated here on a liquid-crystal sample of MBBA for application in static samples. The new sequences are compared with the standard TPPM and SPINAL schemes and are shown to perform better than them. These modulated schemes perform well at low decoupler radiofrequency power levels and are easy to implement on standard spectrometers.

X-ray Diffraction Study of Molybdenum to 900 GPa

NASA Astrophysics Data System (ADS)

Wang, J.; Coppari, F.; Smith, R.; Eggert, J.; Boehly, T.; Collins, G. W.; Duffy, T. S.

2013-12-01

Molybdenum (Mo) is a transition metal that is important as a high-pressure standard. Its equation of state, structure, and melting behavior have been explored extensively in both experimental and theoretical studies. Melting data up to the Mbar pressure region from static compression experiments in the diamond anvil cell [Errandonea et al. 2004] are inconsistent with shock wave sound velocity measurements [Hixson et al., 1989]. There are also conflicting reports as to whether body-centered cubic (BCC) Mo transforms to a face-centered cubic (FCC), hexagonal close packed (HCP) or double hexagonal close packed (DHCP) structure at either high pressure or high pressure and temperature conditions [Belonoshko et al. 2008, Mikhaylushkin et al., 2008 and Cazorla et al., 2008]. Recently, a phase transition from BCC to the DHCP phase at 660 GPa and 0 K was predicted using the particle swam optimization (PSO) method (Wang et al, 2013). Here we report an x-ray diffraction study of dynamically compressed molybdenum. Experiments were conducted using the Omega laser at the Laboratory for Laser Energetics at the University of Rochester. Mo targets were either ramp or shock compressed using a laser drive. In ramp loading, the sample is compressed sufficiently slowly that a shock wave does not form. This results in lower temperatures, keeping the sample in the solid state to higher pressures. X-ray diffraction measurements were performed using quasi-monochromatic x-rays from a highly ionized He-α Cu source and image plate detectors. Upon ramp compression, we found no evidence of phase transition in solid Mo up to 900 GPa. The observed peaks can be assigned to the (110) and (200) or (220) reflections of BCC Mo up to the highest pressure, indicating that Mo does not melt under ramp loading to maximum pressure reached. Under shock loading, we did not observe any evidence for the solid-solid phase transformation around 210 GPa as reported in previous work (Hixson et al, 1989). The BCC phase of Mo remained stable along the Hugoniot up to at least 350 GPa. Our observation of diffraction peaks from shocked Mo shows that Hugoniot does not cross the melting curve until at least this pressure. This indicates that previous diamond cell experiments (Errandonea et al., 2004) have underestimated the Mo melting curve. We acknowledge the Omega staff at LLE for their assistance, and the Target Engineering Team at LLNL for fabrication of the targets used in these experiments. The research was supported by NNSA/DOE through the National Laser Users' Facility Program under contracts DE-NA0000856 and DE-FG52-09NA29037. References: [1] R.S. Hixson, D.A. Boness, and J.W. Shaner, Phys. Rev. Lett., 62, 637 (1989). [2] D. Errandonea, B. Schwager, R. Ditz, C. Gessmann, R. Boehler, and M. Ross, Phys. Rev. B, 63, 132104 (2004). [3] A.B. Belonoshko, L. Burakovsky, S.P. Chen, B. Johansson, A.S. Mikhaylushkin, D.L. Preston, S.I. Simak, and D.C. Swift, Phys. Rev. Lett., 100, 135701 (2008). [4] C. Cazorla, D. Alfè, and M.J. Gillan, Phys. Rev. Lett. 101, 049601 (2008). [5] A.S. Mikhaylushkin, S.I. Simak ,L. Burakovsky, S.P. Chen, B. Johansson, D.L. Preston, D.C. Swift, and A.B. Belonoshko Phys. Rev. Lett., 101, 049602 (2008). [6] B. Wang, G. Zhang, and Y. Wang, J. Alloys Compd., 556, 116-120, (2013).

Nitride Metal-Semiconductor Superlattices for Solid State Thermionic Energy Conversion

NASA Astrophysics Data System (ADS)

Wortman, Robert; Schroeder, Jeremy; Burmistrova, Polina; Zebarjadi, Mona; Bian, Zhixi; Shakouri, Ali; Sands, Timothy

2009-03-01

A new class of thermoelectric materials based off of superlattices have been proposed that show a potential for enhanced thermoelectric performance^1,2. The increase of thermoelectric figure-of-merit ZT of these materials is due to both the energy filtering effect of the Schottky barriers as well as the reduced thermal conductivity that results from increased interface density. Our work has centered on the metal-semiconductor materials system of HfN-ScN. These are both high temperature materials (Tm> 2500C). They have the same rocksalt crystal structure and similar lattice constants, allowing epitaxial growth. We have grown superlattices of these materials via DC magnetron sputtering. Results from x-ray diffraction, and electrical and thermal tests will be presented. Their potential as thermoelectric energy conversion materials will be discussed. 1 G. D. Mahan et al, Phys. Rev. Lett., 80, 4016 (1998) 2 D. Vashaee et al, Phys. Rev. Lett. 92, 106103 (2004)

Realistic inversion of diffraction data for an amorphous solid: The case of amorphous silicon

NASA Astrophysics Data System (ADS)

Pandey, Anup; Biswas, Parthapratim; Bhattarai, Bishal; Drabold, D. A.

2016-12-01

We apply a method called "force-enhanced atomic refinement" (FEAR) to create a computer model of amorphous silicon (a -Si) based upon the highly precise x-ray diffraction experiments of Laaziri et al. [Phys. Rev. Lett. 82, 3460 (1999), 10.1103/PhysRevLett.82.3460]. The logic underlying our calculation is to estimate the structure of a real sample a -Si using experimental data and chemical information included in a nonbiased way, starting from random coordinates. The model is in close agreement with experiment and also sits at a suitable energy minimum according to density-functional calculations. In agreement with experiments, we find a small concentration of coordination defects that we discuss, including their electronic consequences. The gap states in the FEAR model are delocalized compared to a continuous random network model. The method is more efficient and accurate, in the sense of fitting the diffraction data, than conventional melt-quench methods. We compute the vibrational density of states and the specific heat, and we find that both compare favorably to experiments.

Thermodynamic Model Formulations for Inhomogeneous Solids with Application to Non-isothermal Phase Field Modelling

NASA Astrophysics Data System (ADS)

Gladkov, Svyatoslav; Kochmann, Julian; Reese, Stefanie; Hütter, Markus; Svendsen, Bob

2016-04-01

The purpose of the current work is the comparison of thermodynamic model formulations for chemically and structurally inhomogeneous solids at finite deformation based on "standard" non-equilibrium thermodynamics [SNET: e. g. S. de Groot and P. Mazur, Non-equilibrium Thermodynamics, North Holland, 1962] and the general equation for non-equilibrium reversible-irreversible coupling (GENERIC) [H. C. Öttinger, Beyond Equilibrium Thermodynamics, Wiley Interscience, 2005]. In the process, non-isothermal generalizations of standard isothermal conservative [e. g. J. W. Cahn and J. E. Hilliard, Free energy of a non-uniform system. I. Interfacial energy. J. Chem. Phys. 28 (1958), 258-267] and non-conservative [e. g. S. M. Allen and J. W. Cahn, A macroscopic theory for antiphase boundary motion and its application to antiphase domain coarsening. Acta Metall. 27 (1979), 1085-1095; A. G. Khachaturyan, Theory of Structural Transformations in Solids, Wiley, New York, 1983] diffuse interface or "phase-field" models [e. g. P. C. Hohenberg and B. I. Halperin, Theory of dynamic critical phenomena, Rev. Modern Phys. 49 (1977), 435-479; N. Provatas and K. Elder, Phase Field Methods in Material Science and Engineering, Wiley-VCH, 2010.] for solids are obtained. The current treatment is consistent with, and includes, previous works [e. g. O. Penrose and P. C. Fife, Thermodynamically consistent models of phase-field type for the kinetics of phase transitions, Phys. D 43 (1990), 44-62; O. Penrose and P. C. Fife, On the relation between the standard phase-field model and a "thermodynamically consistent" phase-field model. Phys. D 69 (1993), 107-113] on non-isothermal systems as a special case. In the context of no-flux boundary conditions, the SNET- and GENERIC-based approaches are shown to be completely consistent with each other and result in equivalent temperature evolution relations.

Coupling microscopic and mesoscopic scales to simulate chemical equilibrium between a nanometric carbon cluster and detonation products fluid.

PubMed

Bourasseau, Emeric; Maillet, Jean-Bernard

2011-04-21

This paper presents a new method to obtain chemical equilibrium properties of detonation products mixtures including a solid carbon phase. In this work, the solid phase is modelled through a mesoparticle immersed in the fluid, such that the heterogeneous character of the mixture is explicitly taken into account. Inner properties of the clusters are taken from an equation of state obtained in a previous work, and interaction potential between the nanocluster and the fluid particles is derived from all-atoms simulations using the LCBOPII potential (Long range Carbon Bond Order Potential II). It appears that differences in chemical equilibrium results obtained with this method and the "composite ensemble method" (A. Hervouet et al., J. Phys. Chem. B, 2008, 112.), where fluid and solid phases are considered as non-interacting, are not significant, underlining the fact that considering the inhomogeneity of such system is crucial.

Upper bound on three-tangles of reduced states of four-qubit pure states

NASA Astrophysics Data System (ADS)

Sharma, S. Shelly; Sharma, N. K.

2017-06-01

Closed formulas for upper bounds on three-tangles of three-qubit reduced states in terms of three-qubit-invariant polynomials of pure four-qubit states are obtained. Our results offer tighter constraints on total three-way entanglement of a given qubit with the rest of the system than those used by Regula et al. [Phys. Rev. Lett. 113, 110501 (2014), 10.1103/PhysRevLett.113.110501 and Phys. Rev. Lett. 116, 049902(E) (2016)], 10.1103/PhysRevLett.116.049902 to verify monogamy of four-qubit quantum entanglement.

Radial inhomogeneities in particle composition of single, levitated aerosol particles observed by Mie resonance spectroscopy (Invited)

NASA Astrophysics Data System (ADS)

Krieger, U. K.; Steimer, S.; Lienhard, D.; Bastelberger, S.

2013-12-01

Recent observations have indicated that organic aerosol particles in the atmosphere may exist in an amorphous semi-solid or even solid (i.e. glassy) state, e.g. [1]. The influence of highly viscous and glassy states on the timescale of aerosol particle equilibration with respect to water vapor have been investigated for some model systems of atmospheric aerosol, e.g. [2,3]. In particular, it has been shown that the kinetics of the water absorption/desorption process is controlled entirely by liquid-phase diffusion of water molecules for a highly viscous aerosol particle. A liquid phase diffusion model based on numerically solving the non-linear diffusion equation predicts strong internal gradients in water concentration when condensed phase diffusion impedes the water uptake from the gas phase [2]. Here we observe and quantify the internal concentration gradients in single, levitated, micron size aerosol particles of aqueous MBTCA (3-methyl-1,2,3-Butanetricarboxylic acid) and shikimic acid using elastic Mie resonance spectroscopy. A single, aqueous particle is levitated in an electro-dynamic balance (for details see [2]), dried for several days at room temperature, cooled to the target temperature and exposed to a rapid change in relative humidity. In addition to measuring the elastically backscattered light of a 'white light ' LED source and recording the full spectrum with a spectrograph as in [2], we use a tunable diode laser (TDL) to scan high resolution TE- and TM spectra. This combination allows observing various Mie resonance mode orders simultaneously. Since we perform the experiment at low temperatures and low humidities the changes in the Mie-spectra due to water uptake are sufficiently slow to resolve the kinetics. Experimental Mie resonance spectra are inverted to concentration profiles of water within the particle by applying the numerical diffusion model [2] in conjunction with Mie calculations of multilayered spheres [4]. Potential implications for gas to particle partitioning and heterogeneous chemistry are discussed. [1] A. Virtanen et al. (2010): An amorphous solid state of biogenic secondary organic aerosol particles, Nature 467, 824-827. [2] B. Zobrist et al. (2011): Ultra-slow water diffusion in aqueous sucrose glasses, Phys. Chem. Chem. Phys. 13, 3514-3526. [3] D. L. Bones, J. P. Reid, D. M. Lienhard, and U. K. Krieger (2012): Comparing the mechanism of water condensation and evaporation in glassy aerosol, PNAS 109, 11613-11618. [4] O. Peña and U. Pal (2009): Scattering of electromagnetic radiation by a multilayered sphere, Comput. Phys. Commun. 180, 2348-2354.

Formulation of strongly non-local, non-isothermal dynamics for heterogeneous solids based on the GENERIC with application to phase-field modeling

NASA Astrophysics Data System (ADS)

Hütter, Markus; Svendsen, Bob

2017-12-01

The purpose of the current work is the formulation of models for conservative and non-conservative dynamics in solid systems with the help of the General Equation for the Non-Equilibrium Reversible-Irreversible Coupling (GENERIC: e.g., Grmela and Öttinger, Phys. Rev. E 56(6), 6620 (1997); Öttinger and Grmela, Phys. Rev. E 56(6), 6633 (1997)). In this context, the resulting models are inherently spatially strongly non-local (i.e., functional) and non-isothermal in character. They are applicable in particular to the modeling of phase transitions as well as mass and heat transport in multiphase, multicomponent solids. In the last part of the work, the strongly non-local model formulation is reduced to weakly non-local form with the help of generalized gradient approximation of the energy and entropy functionals. On this basis, the current model formulation is shown to be consistent with and reduce to a recent non-isothermal generalization (Gladkov et al., J. Non-Equilib. Thermodyn. 41(2), 131 (2016)) of the well-known phase-field models of Cahn and Hilliard (J. Chem. Phys. 28(2), 258 (1958)) for conservative dynamics and of Allen and Cahn (Acta Metall. 27(6), 1085 (1979)) for non-conservative dynamics. Finally, the current approach is applied to derive a non-isothermal generalization of a phase-field crystal model for binary alloys (see, e.g., Elder et al., Phys. Rev. B 75(6), 064107 (2007)).

Excimer Emission from Alkali Diatomic and Alkaline-Earth-Noble-Gas Molecules

DTIC Science & Technology

1989-10-01

line at 792 nm is also shown as a solid line for 1.18 ami . respectively. The oven temperature and buffer gas comparison. The oven contained pure sodium...Hasselbrink, and G. Hillrichs. Chem. Phys. Lett. 30J. Huennekens, H. J. Park, T. Colbert , and S. C. McClain. 112,441 (1984). Phys. Rev. A 35, 2892 (1987). 15R

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

Do, Hainam, E-mail: h.do@nottingham.ac.uk, E-mail: richard.wheatley@nottingham.ac.uk; Wheatley, Richard J., E-mail: h.do@nottingham.ac.uk, E-mail: richard.wheatley@nottingham.ac.uk

A robust and model free Monte Carlo simulation method is proposed to address the challenge in computing the classical density of states and partition function of solids. Starting from the minimum configurational energy, the algorithm partitions the entire energy range in the increasing energy direction (“upward”) into subdivisions whose integrated density of states is known. When combined with the density of states computed from the “downward” energy partitioning approach [H. Do, J. D. Hirst, and R. J. Wheatley, J. Chem. Phys. 135, 174105 (2011)], the equilibrium thermodynamic properties can be evaluated at any temperature and in any phase. The methodmore » is illustrated in the context of the Lennard-Jones system and can readily be extended to other molecular systems and clusters for which the structures are known.« less

Hole Concentration vs. Mn Fraction in a Diluted (Ga,Mn)As Ferromagnetic Semiconductor

DTIC Science & Technology

2002-01-01

4785 (1999). 5. T. Hayashi , M. Tanaka, and T. Nishinaga, J. App!. Ph vs. 81, 4865 (1997). 6. H. Ohno and F. Matsukura, Solid State Commnin . 117, 179...off-set between the " and I bands, and the Fermi energy (EF) increases to the right. 231 REFERENCES I . H. Ohno , H. Munekata, T. Penney, S. von Moln...r, and L. L. Chang, Phys. Rev. Lett. 68, 2664 (1992). 2. H. Ohno , A. Shen, F. Matsukura. A. Oiwa, A. Endo, S. Katsumnoto, and Y. lye, Appl. Ph vs

Solid State Research, 1981-1

DTIC Science & Technology

1981-02-15

Pine J. Mol. Spectrosc. 84, 132 v I + v 3 Combination Band of SO 2 M. Dang-Nhu* (1980) 5076 Formation of the XeBr Exciplex D. J. Ehrlich J. Chem. Phys...heteroepitaxial Ge film deposited on (I00>Si at Ts 550*C. III 0 5P.m 130- ol III --- SURFACEIGe,-,Si, ALLOY (b) * *I (b)) ,0, ++, p...:l: Fig. 111-8. (a) Bright...with the 32 input samples in the CCD ( ol wells. Center cross section: With the write voltage applied to the memory gate and the first transfer gate

Ferromagnetic Long Range Ordering in Copper(2) Maleate Monohydrate.

DTIC Science & Technology

1988-11-20

thanks the Consejo Nacional de Ciencia y Tecnologia for a partial fellowship. 10 References 1a) SYNTHECO, Inc., 1920 Industrial Pike, Gastonia, N.C...Philadelphia, 1966; Chapter 3. 14) D. B. Losee and W. E. Hatfield, Phs e.i Q 1122 (1974). 15) y . Yamamoto, M. Matsuura, and T. Haseda, J. Phys.-Soc...Mal in the solid state recorded at room temperature. 12 (0 Vj) N 4W +C +~ 13 4P4 CYC CS) (SG) CS + 0 (0 + C, S+ + 06 + + + 3 CC, (( Y ) uo p1 3ubA 00 CL

Preliminary Reports, Memoranda and Technical Notes of the Materials Research Council Summer Conference, La Jolla, CA

DTIC Science & Technology

1975-07-01

1298 (1974); T. Wei, S. Etemad, A. F. Garito and A. J. Heeger, Phys. Lett. 4_5a 269 (1973). G. A. Vhomas, et. al .. Solid State Comm. 0£, 000...C. Beer, Eds. (Academic Press, New York 1975) Vol. 11 (to be published). H. Fetterman et al ., IEEE Trans. MTT-22, 1013 (1974) 8. A. H. Silver...increasing temperature over extensive ranges. Such measure- ments were reported by Johnston et al .?1 for the fast ionic conductor RbAgJ,. Thermal

Organizing principles for dense packings of nonspherical hard particles: Not all shapes are created equal

NASA Astrophysics Data System (ADS)

Torquato, Salvatore; Jiao, Yang

2012-07-01

We have recently devised organizing principles to obtain maximally dense packings of the Platonic and Archimedean solids and certain smoothly shaped convex nonspherical particles [Torquato and Jiao, Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.81.041310 81, 041310 (2010)]. Here we generalize them in order to guide one to ascertain the densest packings of other convex nonspherical particles as well as concave shapes. Our generalized organizing principles are explicitly stated as four distinct propositions. All of our organizing principles are applied to and tested against the most comprehensive set of both convex and concave particle shapes examined to date, including Catalan solids, prisms, antiprisms, cylinders, dimers of spheres, and various concave polyhedra. We demonstrate that all of the densest known packings associated with this wide spectrum of nonspherical particles are consistent with our propositions. Among other applications, our general organizing principles enable us to construct analytically the densest known packings of certain convex nonspherical particles, including spherocylinders, “lens-shaped” particles, square pyramids, and rhombic pyramids. Moreover, we show how to apply these principles to infer the high-density equilibrium crystalline phases of hard convex and concave particles. We also discuss the unique packing attributes of maximally random jammed packings of nonspherical particles.

Nonlinear waves in solids with slow dynamics: an internal-variable model

PubMed Central

Berjamin, H.; Favrie, N.; Chiavassa, G.

2017-01-01

In heterogeneous solids such as rocks and concrete, the speed of sound diminishes with the strain amplitude of a dynamic loading (softening). This decrease, known as ‘slow dynamics’, occurs at time scales larger than the period of the forcing. Also, hysteresis is observed in the steady-state response. The phenomenological model by Vakhnenko et al. (2004 Phys. Rev. E 70, 015602. (doi:10.1103/PhysRevE.70.015602)) is based on a variable that describes the softening of the material. However, this model is one dimensional and it is not thermodynamically admissible. In the present article, a three-dimensional model is derived in the framework of the finite-strain theory. An internal variable that describes the softening of the material is introduced, as well as an expression of the specific internal energy. A mechanical constitutive law is deduced from the Clausius–Duhem inequality. Moreover, a family of evolution equations for the internal variable is proposed. Here, an evolution equation with one relaxation time is chosen. By construction, this new model of the continuum is thermodynamically admissible and dissipative (inelastic). In the case of small uniaxial deformations, it is shown analytically that the model reproduces qualitatively the main features of real experiments. PMID:28588408

``Ideal glassformers'' vs ``ideal glasses'': Studies of crystal-free routes to the glassy state by ``potential tuning'' molecular dynamics, and laboratory calorimetry

NASA Astrophysics Data System (ADS)

Kapko, Vitaliy; Zhao, Zuofeng; Matyushov, Dmitry V.; Austen Angell, C.

2013-03-01

The ability of some liquids to vitrify during supercooling is usually seen as a consequence of the rates of crystal nucleation (and/or crystal growth) becoming small [D. R. Uhlmann, J. Non-Cryst. Solids 7, 337 (1972), 10.1016/0022-3093(72)90269-4] - and thus a matter of kinetics. However, there is evidence dating back to the empirics of coal briquetting for maximum trucking efficiency [D. Frenkel, Physics 3, 37 (2010), 10.1103/Physics.3.37] that some object shapes find little advantage in self-assembly to ordered structures - meaning random packings prevail. Noting that key studies of non-spherical object packing have never been followed from hard ellipsoids [A. Donev, F. H. Stillinger, P. M. Chaikin, and S. Torquato, Phys. Rev. Lett. 92, 255506 (2004), 10.1103/PhysRevLett.92.255506; A. Donev, I. Cisse, D. Sachs, E. A. Variano, F. H. Stillinger, R. Connelly, S. Torquato, and P. M. Chaikin, Science 303, 990 (2004), 10.1126/science.1093010] or spherocylinders [S. R. Williams and A. P. Philipse, Phys. Rev. E 67, 051301 (2003), 10.1103/PhysRevE.67.051301] (diatomics excepted [S.-H. Chong, A. J. Moreno, F. Sciortino, and W. Kob, Phys. Rev. Lett. 94, 215701 (2005), 10.1103/PhysRevLett.94.215701] into the world of molecules with attractive forces, we have made a molecular dynamics study of crystal melting and glass formation on the Gay-Berne (G-B) model of ellipsoidal objects [J. G. Gay and B. J. Berne, J. Chem. Phys. 74, 3316 (1981), 10.1063/1.441483] across the aspect ratio range of the hard ellipsoid studies. Here, we report that in the aspect ratio range of maximum ellipsoid packing efficiency, various G-B crystalline states that cannot be obtained directly from the liquid, disorder spontaneously near 0 K and transform to liquids without any detectable enthalpy of fusion. Without claiming to have proved the existence of single component examples, we use the present observations, together with our knowledge of non-ideal mixing effects, to discuss the probable existence of "ideal glassformers" - single or multicomponent liquids that vitrify before ever becoming metastable with respect to crystals. We find evidence that "ideal glassformer" systems might also be highly fragile systems, approaching the "ideal glass" condition. We link this to the high "volume fragility" behavior observed in recent hard dumbbell studies at similar length/diameter ratios [R. Zhang and K. S. Schweitzer, J. Chem. Phys. 133, 104902 (2010), 10.1063/1.3483601]. The discussion suggests some unusual systems for laboratory study. Using differential scanning calorimetry detection of fusion points Tm, liquidus temperatures Tl, and glass transition temperatures Tg, we describe a system that would seem incapable of crystallizing before glass transition, i.e., an "ideal glassformer." The existence of crystal-free routes to the glassy state will eliminate precrystalline fluctuations as a source of the dynamic heterogeneities that are generally considered important in the discussion of the "glassy state problem [P. W. Anderson, Science 267, 1615 (1995), 10.1126/science.267.5204.1615-e]."

Coulomb crystallization in classical and quantum systems

NASA Astrophysics Data System (ADS)

Bonitz, Michael

2007-11-01

Coulomb crystallization occurs in one-component plasmas when the average interaction energy exceeds the kinetic energy by about two orders of magnitude. A simple road to reach such strong coupling consists in using external confinement potentials the strength of which controls the density. This has been succsessfully realized with ions in traps and storage rings and also in dusty plasma. Recently a three-dimensional spherical confinement could be created [1] which allows to produce spherical dust crystals containing concentric shells. I will give an overview on our recent results for these ``Yukawa balls'' and compare them to experiments. The shell structure of these systems can be very well explained by using an isotropic statically screened pair interaction. Further, the thermodynamic properties of these systems, such as the radial density distribution are discussed based on an analytical theory [3]. I then will discuss Coulomb crystallization in trapped quantum systems, such as mesoscopic electron and electron hole plasmas in coupled layers [4,5]. These systems show a very rich correlation behavior, including liquid and solid like states and bound states (excitons, biexcitons) and their crystals. On the other hand, also collective quantum and spin effects are observed, including Bose-Einstein condensation and superfluidity of bound electron-hole pairs [4]. Finally, I consider Coulomb crystallization in two-component neutral plasmas in three dimensions. I discuss the necessary conditions for crystals of heavy charges to exist in the presence of a light component which typically is in the Fermi gas or liquid state. It can be shown that their exists a critical ratio of the masses of the species of the order of 80 [5] which is confirmed by Quantum Monte Carlo simulations [6]. Familiar examples are crystals of nuclei in the core of White dwarf stars, but the results also suggest the existence of other crystals, including proton or α-particle crystals in dense matter and of hole crystals in semiconductors. [1] O. Arp, D. Block, A. Piel, and A. Melzer, Phys. Rev. Lett. 93, 165004 (2004). [2] M. Bonitz, D. Block, O. Arp, V. Golubnychiy, H. Baumgartner, P. Ludwig, A. Piel, and A. Filinov, Phys. Rev. Lett. 96, 075001 (2006). [3] C. Henning, H. Baumgartner, A. Piel, P. Ludwig, V. Golubnychiy, M. Bonitz, and D. Block, Phys. Rev. E 74, 056403 (2006) and Phys. Rev. E (2007). [4] A. Filinov, M. Bonitz, and Yu. Lozovik, Phys. Rev. Lett. 86, 3851 (2001). [5] M. Bonitz, V. Filinov, P. Levashov, V. Fortov, and H. Fehske, Phys. Rev. Lett. 95, 235006 (2005) and J. Phys. A: Math. Gen. 39, 4717 (2006). [6] Introduction to Computational Methods for Many-Body Systems, M. Bonitz and D. Semkat (eds.), Rinton Press, Princeton (2006)

Cooperative Effects and Intrinsic Optical Bistability in Collections of Atoms

DTIC Science & Technology

1989-11-01

Solids B115, k63 (1983). 6. H.E. Schmidt, H. Haug and S.W. Koch; Appl. 2 44, 787 (1984). 7. J.W. Haus, Li Wang, M. Scalora and C.M. Bowden, Phys. Rev...maximum aver- I 1] J.W. Haus, L. Wang, M. Scalora and C.M. Bowden, Phys. age passage time for the parameters chosen. In re- Rev. A38 (1988) 4043. 112...Stat. Solidi B121 685 (1984). 10. M. Dagenais and W.F. Sharfin, Appl. Phys. Lett. 45, 210 (1984). 21 11. J.W. Haus, L. Wang, M. Scalora and C.M

Nonlocal van der Waals functionals: The case of rare-gas dimers and solids

NASA Astrophysics Data System (ADS)

Tran, Fabien; Hutter, Jürg

2013-05-01

Recently, the nonlocal van der Waals (vdW) density functionals [M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004), 10.1103/PhysRevLett.92.246401] have attracted considerable attention due to their good performance for systems where weak interactions are important. Since the physics of dispersion is included in these functionals, they are usually more accurate and show less erratic behavior than the semilocal and hybrid methods. In this work, several variants of the vdW functionals have been tested on rare-gas dimers (from He2 to Kr2) and solids (Ne, Ar, and Kr) and their accuracy compared to standard semilocal approximations, supplemented or not by an atom-pairwise dispersion correction [S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010), 10.1063/1.3382344]. An analysis of the results in terms of energy decomposition is also provided.

Dynamics of δ-dopant redistribution during heterostructure growth

NASA Astrophysics Data System (ADS)

Pankratov, E. L.

2007-06-01

It has recently been shown that growth of a multilayer structure with one or more delta-layers at high temperature leads to spreading and asymmetrization of the dopant distribution [see, for example, E.F.J. Schubert, Vac. Sci. Technol. A. 8, 2980 (1990), A.M. Nazmul, S. Sugahara, M. Tanaka, J. Crystal Growth 251, 303 (2003); R.C. Newman, M.J. Ashwin, M.R. Fahy, L. Hart, S.N. Holmes, C. Roberts, X. Zhang, Phys. Rev. B 54, 8769 (1996); E.F. Schubert, J.M. Kuo, R.F. Kopf, H.S. Luftman, L.C. Hopkins, N.J. Sauer, J. Appl. Phys. 67, 1969 (1990); P.M. Zagwijn, J.F. van der Veen, E. Vlieg, A.H. Reader, D.J. Gravesteijn, J. Appl. Phys. 78, 4933 (1995); W.S. Hobson, S.J. Pearton, E.F. Schubert, G. Cabaniss, Appl. Phys. Lett. 55, 1546 (1989); Delta Doping of Semiconductors, edited by E.F. Schubert (Cambridge University Press, Cambridge, 1996); Yu.N. Drozdov, N.B. Baidus', B.N. Zvonkov, M.N. Drozdov, O.I. Khrykin, V.I. Shashkin, Semiconductors 37, 194 (2003); E. Skuras, A.R. Long, B. Vogele, M.C. Holland, C.R. Stanley, E.A. Johnson, M. van der Burgt, H. Yaguchi, J. Singleton, Phys. Rev. B 59, 10712 (1999); G. Li, C. Jagadish, Solid-State Electronics 41, 1207 (1997)]. In this work analytical and numerical analysis of dopant dynamics in a delta-doped area of a multilayer structure has been accomplished using Fick's second law. Some reasons for asymmetrization of a delta-dopant distribution are illustrated. The spreading of a delta-layer has been estimated using example materials of a multilayer structure, a delta-layer and an overlayer.

Statistical Mechanical Model for Adsorption Coupled with SAFT-VR Mie Equation of State.

PubMed

Franco, Luís F M; Economou, Ioannis G; Castier, Marcelo

2017-10-24

We extend the SAFT-VR Mie equation of state to calculate adsorption isotherms by considering explicitly the residual energy due to the confinement effect. Assuming a square-well potential for the fluid-solid interactions, the structure imposed by the fluid-solid interface is calculated using two different approaches: an empirical expression proposed by Travalloni et al. ( Chem. Eng. Sci. 65 , 3088 - 3099 , 2010 ), and a new theoretical expression derived by applying the mean value theorem. Adopting the SAFT-VR Mie ( Lafitte et al. J. Chem. Phys. , 139 , 154504 , 2013 ) equation of state to describe the fluid-fluid interactions, and solving the phase equilibrium criteria, we calculate adsorption isotherms for light hydrocarbons adsorbed in a carbon molecular sieve and for carbon dioxide, nitrogen, and water adsorbed in a zeolite. Good results are obtained from the model using either approach. Nonetheless, the theoretical expression seems to correlate better the experimental data than the empirical one, possibly implying that a more reliable way to describe the structure ensures a better description of the thermodynamic behavior.

Impact of molecular packing on electronic polarization in organic crystals: the case of pentacene vs TIPS-pentacene.

PubMed

Ryno, Sean M; Risko, Chad; Brédas, Jean-Luc

2014-04-30

Polarization energy corresponds to the stabilization of the cation or anion state of an atom or molecule when going from the gas phase to the solid state. The decrease in ionization energy and increase in electron affinity in the solid state are related to the (electronic and nuclear) polarization of the surrounding atoms and molecules in the presence of a charged entity. Here, through a combination of molecular mechanics and quantum mechanics calculations, we evaluate the polarization energies in two prototypical organic semiconductors, pentacene and 6,13-bis(2-(tri-isopropylsilyl)ethynyl)pentacene (TIPS-pentacene). Comparison of the results for the two systems reveals the critical role played by the molecular packing configurations in the determination of the polarization energies and provides physical insight into the experimental data reported by Lichtenberger and co-workers (J. Amer. Chem. Soc. 2010, 132, 580; J. Phys. Chem. C 2010, 114, 13838). Our results underline that the impact of packing configurations, well established in the case of the charge-transport properties, also extends to the polarization properties of π-conjugated materials.

Scanned gate microscopy of inter-edge channel scattering in the quantum Hall regime

NASA Astrophysics Data System (ADS)

Woodside, Michael T.; Vale, Chris; McEuen, Paul L.; Kadow, C.; Maranowski, K. D.; Gossard, A. C.

2000-03-01

Novel scanned probe techniques have recently been used to study in detail the microscopic properties of 2D electron gases in the quantum Hall regime [1]. We report local measurements of the scattering between edge states in a quantum Hall conductor with non-equilibrium edge state populations. Using an atomic force microscope (AFM) tip as a local gate to perturb the edge states, we find that the scattering is dominated by individual, microscopic scattering sites, which we directly image and characterise. The dependence of the scattering on the AFM tip voltage reveals that it involves tunneling both through quasi-bound impurity states and through disorder-induced weak links between the edge states. [1] S. H. Tessmer et al., Nature 392, 51 (1998); K. L. McCormick et al., Phys. Rev. B 59, 4654 (1999); A. Yacoby et al., Solid State Comm. 111, 1 (1999).

Radial density distribution of a warm dense plasma formed by underwater electrical explosion of a copper wire

NASA Astrophysics Data System (ADS)

Nitishinskiy, M.; Yanuka, D.; Virozub, A.; Krasik, Ya. E.

2017-12-01

Time- and space-resolved evolution of the density (down to 0.07 of solid state density) of a copper wire during its microsecond timescale electrical explosion in water was obtained by X-ray backlighting. In the present research, a flash X-ray source of 20 ns pulse-width and >60 keV photon energy was used. The conductivity of copper was evaluated for a temperature of 10 kK and found to be in good agreement with the data obtained in earlier experiments [DeSilva and Katsouros, Phys. Rev. E 57, 5945 (1998) and Sheftman and Krasik, Phys. Plasmas 18, 092704 (2011)] where only electrical and optical diagnostics were applied. Magneto-hydrodynamic simulation shows a good agreement between the simulated and experimental waveforms of the current and voltage and measured the radial expansion of the exploding wire. Also, the radial density distribution obtained by an inverse Abel transform analysis agrees with the results of these simulations. Thus, the validity of the equations of state for copper and the conductivity model used in the simulations was confirmed for the parameters of the exploding wire realized in the present research.

Structure and Electrical Properties of RF Sputter Deposited Indium Antimonide Thin Films

DTIC Science & Technology

1975-12-01

Figure 6b is from the dark area in the upper right-hand corner of the micrograph. A plot of the average grain size of InSb films grown on p-a CaF2 as...1966). 29. R. F. Potter, Phys. Rev. 103, 47 (1956). 30. D. B. Holt, J. Phys. Chem. Solids 27, 1053 (1966). 31. H. F. Matare ’, Defect Electronics in

Local probing by use of transparent model materials

NASA Astrophysics Data System (ADS)

Philippe, P.

2017-12-01

The present contribution emphasizes on two distinct examples the benefit with using transparent materials that enable direct visualization within different types of model systems. Our first use of transparent materials investigates the elementary mechanisms involved in soil erosion based on three key ingredients: a) cohesive model materials (i.e. glass beads bonded by solid bridges); b) optical techniques (Refractive Index Matching and Planar Laser Induced Fluorescence [1,2]) ; c) specific mechanical tests to estimate the mechanical strength of the solid bonds. Then, critical shear-stress at erosion onset can be related to tensile strength considering an extension of the classical Shields' number [3,4].Our second example uses a transparent elasto-visco-plastic fluid (Carbopol) as a model of debris flows. Different geometrical configurations allow for an accurate investigation of the flow over an obstacle [5] or a cavity [6], inducing the existence of a dead-zone and consequently of a frontier between solid-like and fluid-like regions that is of particular relevance for debris flows mobilization and deposition. Practically, the hydrodynamics of the flow is investigated by means of high-resolution optical velocimetry (PIV) and underlines a non-monotonous evolution of the shear rate, which increases from zero at the solid-liquid interface, passes through a peak (sometimes leveling off at its maximum value), and returns to zero in a plug zone sufficiently far above the cavity or the obstacle. [1] Philippe P., and Badiane M. Phys. Rev. E 87, 042206 (2013). [2] Dijksman J.A., Rietz F., Lorincz K.A., van Hecke M., and Losert W. Review of Scientific Instruments 83(1), 011301 (2012). [3] Badr S., Gauthier G., and Gondret P. Phys. Fluids 26:023302 (2014). [4] Brunier-Coulin F., Cuéllar P., and Philippe P. Phys. Rev. Fluids 87, 2: 034302 (2017). [5] Luu L.-H., Philippe P., and Chambon G. Phys. Rev. E 91, 013013 (2015). [6] Luu L.-H., Philippe P.; and Chambon G. Journal of Non-Newtonian Fluid Mechanics 245, 25-37 (2017).

Magneto thermal conductivity of superconducting Nb with intermediate level of impurity

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

L.S. Sharath Chandra, M.K. Chattopadhyay, S.B. Roy, V.C. Sahni, G.R. Myneni

2012-03-01

Niobium materials with intermediate purity level are used for fabrication of superconducting radio frequency cavities (SCRF), and thermal conductivity is an important parameter influencing the performance of such SCRF cavities. We report here the temperature and magnetic field dependence of thermal conductivity {kappa} for superconducting niobium (Nb) samples, for which the electron mean free path I{sub e}, the phonon mean free path I{sub g}, and the vortex core diameter 2r{sub C} are of the same order of magnitude. The measured thermal conductivity is analyzed using the effective gap model (developed for I{sub e} >> 2r{sub C} (Dubeck et al 1963more » Phys. Rev. Lett. 10 98)) and the normal core model (developed for I{sub e} << 2r{sub C} (Ward and Dew-Hughes 1970 J. Phys. C: Solid St. Phys. 3 2245)). However, it is found that the effective gap model is not suitable for low temperatures when I{sub e} {approx} 2r{sub C}. The normal core model, on the other hand, is able to describe {kappa}(T,H) over the entire temperature range except in the field regime between H{sub C1} and H{sub C2} i.e. in the mixed state. It is shown that to understand the complete behavior of {kappa} in the mixed state, the scattering of quasi-particles from the vortex cores and the intervortex quasi-particle tunneling are to be invoked. The quasi-particle scattering from vortices for the present system is understood in terms of the framework of Sergeenkov and Ausloos (1995 Phys. Rev. B 52 3614) extending their approach to the case of Nb. The intervortex tunneling is understood within the framework of Schmidbauer et al (1970 Z. Phys. 240 30). Analysis of the field dependence of thermal conductivity shows that while the quasi-particle scattering from vortices dominates in the low fields, the intervortex quasi-particle tunneling dominates in high fields. Analysis of the temperature dependence of thermal conductivity shows that while the quasi-particle scattering is dominant at low temperatures, the intervortex quasi-particle tunneling is dominant at high temperatures.« less

Differentiability of energy functionals in spin-density-functional theory

NASA Astrophysics Data System (ADS)

Gál, Tamás

2007-06-01

Recently, nonuniqueness of external electrostatic and magnetic fields yielding a given many-electron ground state has been pointed out [K. Capelle and G. Vignale, Phys. Rev. Lett. 86, 5546 (2001); H. Eschrig and W. E. Pickett, Solid State Commun. 118, 123 (2001)], implying the nondifferentiability of the ground-state energy functional of spin-density-functional theory (SDFT), on the basis of which the applicability of widely used DFT methods in SDFT has been put into question and the need for a critical reexamination of those applications has been concluded. Here it is shown, for collinear magnetic fields, that the nonuniqueness of the external potentials in SDFT does not imply the nonexistence of number-conserving functional derivatives as well, with the use of which therefore problems arising from the nondifferentiability are avoided.

Accessing Ultrahigh-Pressure, Quasi-Isentropic States of Matter

NASA Astrophysics Data System (ADS)

Lorenz, Thomas

2004-11-01

A new approach to materials science at extreme pressures has been developed on the OMEGA laser, using a ramped plasma piston drive. The laser drives a shock through a solid plastic reservoir that unloads at the rear free surface, expands across a vacuum gap, and stagnates on the metal sample under study. This produces a gently increasing ram pressure, compressing the sample nearly isentropically. The peak pressure on the sample, diagnosed with VISAR measurements, can be varied by adjusting the laser energy and pulse length, gap size, and reservoir density, and obeys a simple scaling relation. [1] This has been demonstrated at OMEGA at pressures of P = 0.1-2.0 Mbar in Al foils. [2] In an important application, using in-flight x-ray radiography, the material strength of solid-state samples at high pressure can be inferred by measuring the reductions in the growth rates (stabilization) of Rayleigh-Taylor (RT) unstable interfaces. The material strength is predicted to be as much as an order of magnitude higher at P ˜ 1 Mbar than at ambient pressures. Initial RT measurements testing this prediction in foils of Al and V will be shown. We also use TEM microscopy of recovered targets to show that the samples never melted, and the presence of pressure-induced structural defects. [3,4] Experimental designs based on this drive have been developed for the NIF laser, predicting that solid-state samples can be quasi-isentropically driven to pressures an order of magnitude higher than on Omega - accessing new regimes of dense, high-pressure matter. [5] [1] J. Edwards et al., Phys. Rev. Lett., 92, 075002 (2004). [2] K.T. Lorenz et al., submitted, J. Appl. Phys. (2004). [3] J. McNaney et al., in press, Met. Mat. Trans. 35A (2004). [4] E.M. Bringa et al., to be submitted, Nature (2004). [5] B.A. Remington et al., in press, Met. Mat. Trans. 35A (2004). This work was performed under the auspices of the U.S. Department of Energy by the University of California, Lawrence Livermore National Laboratory under Contract W-7405-Eng-48.

Growth and melting of droplets in cold vapors.

PubMed

L'Hermite, Jean-Marc

2009-11-01

A model has been developed to investigate the growth of droplets in a supersaturated cold vapor taking into account their possible solid-liquid phase transition. It is shown that the solid-liquid phase transition is nontrivially coupled, through the energy released in attachment, to the nucleation process. The model is based on the one developed by J. Feder, K. C. Russell, J. Lothe, and G. M. Pound [Adv. Phys. 15, 111 (1966)], where the nucleation process is described as a thermal diffusion motion in a two-dimensional field of force given by the derivatives of a free-energy surface. The additional dimension accounts for droplets internal energy. The solid-liquid phase transition is introduced through a bimodal internal energy distribution in a Gaussian approximation derived from small clusters physics. The coupling between nucleation and melting results in specific nonequilibrium thermodynamical properties, exemplified in the case of water droplets. Analyzing the free-energy landscapes gives an insight into the nucleation dynamics. This landscape can be complex but generally exhibits two paths: the first one can generally be ascribed to the solid state, while the other to the liquid state. Especially at high supersaturation, the growth in the liquid state is often favored, which is not unexpected since in a supersaturated vapor the droplets can stand higher internal energy than at equilibrium. From a given critical temperature that is noticeably lower than the bulk melting temperature, nucleation may end in very large liquid droplets. These features can be qualitatively generalized to systems other than water.

Practical scheme for error control using feedback

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

Sarovar, Mohan; Milburn, Gerard J.; Ahn, Charlene

2004-05-01

We describe a scheme for quantum-error correction that employs feedback and weak measurement rather than the standard tools of projective measurement and fast controlled unitary gates. The advantage of this scheme over previous protocols [for example, Ahn et al. Phys. Rev. A 65, 042301 (2001)], is that it requires little side processing while remaining robust to measurement inefficiency, and is therefore considerably more practical. We evaluate the performance of our scheme by simulating the correction of bit flips. We also consider implementation in a solid-state quantum-computation architecture and estimate the maximal error rate that could be corrected with current technology.

Chemical Bonding, Interdiffusion and Electronic Structure at InP, GaAs, and Si-Metal Interfaces.

DTIC Science & Technology

1985-10-01

4. H.H. Wieder, J. Vac. Sci. Technol. 15, 1498 (1978). C. 5. W.E. Spicer, 1. Lindau, P. Skeath, C.Y. Su, and P. Chye , Phys. Rev. Lett. 44, 10 420...Spicer, Solid State Electron. 28 307 (1985). 25. N. Newman, K.K. Chin , W.G. Petro, T. Kendelewicz, M.D. Williams, C.E. McCants, and W.E. Spicer, J. Vac...Technol. 19, 661 (1981). 11. Y. Shapira, L.J. Brillson and A. Heller, J. Vac. Sci. U Technol., Al, 766 (1983). 12. P.W. Chye , I. Lindau, P. Pianetta, C.M

Rashba spin-orbit effect and its electric field control at the surfaces and interfaces for spintronics applications (Presentation Recording)

NASA Astrophysics Data System (ADS)

Satpathy, Sashi; Shanavas, Kavungal Veedu

2015-09-01

The Rashba effect [1] describes the momentum-dependent spin splitting of the electron states at a surface or interface. It is the combined result of the relativistic spin-orbit interaction (SOI) and the inversion-symmetry breaking. The control of the Rashba effect by an applied electric field is at the heart of the proposed Rashba-effect-based spintronics devices for manipulating the electron spinfor ma- nipulating the electron spin in the semiconductors. The effect is expected to be much stronger in the perovskite oxides owing to the presence of high-Z elements. In this talk, I will introduce the Rashba effect and discuss how the Rashba SOI at the surfaces and interfaces can be tuned by manipulating the two dimensional electron gas (2DEG) by an applied electric field. The effect can be understood in terms of a tight-binding model Hamiltonian for the d orbitals incorporating the effect of electric field in terms of effective orbital overlap parameters [3]. From first principles calculations we see that the Rashba SOI originates from the first few layers near the surface and it therefore can be altered by drawing the 2DEG to the surface or by pushing the 2DEG deeper into the bulk with an applied elec- tric field. These ideas will be illustrated by a comprehensive density-functional study of polar perovskite systems [4]. References [1] E. I. Rashba, Sov. Phys. Solid State 2, 1109 (1960) [2] A. Ohtomo and H. Hwang, Nature 427, 423 (2004); Z. Popovic, S. Satpathy, and R. Martin, Phys. Rev. Letts. 101, 256801 (2008) [3] K. V. Shanavas and S. Satpathy, Phys. Rev. Lett. 112, 086802 (2014); K. V. Shanavas, Z. S. Popovic, and S. Satpathy, Phys. Rev. B 90, 165108 (2014) [4] K. V. Shanavas, J. Electron Spectrosc., In press (2015)

Leidenfrost drops on a heated liquid pool

NASA Astrophysics Data System (ADS)

Maquet, L.; Sobac, B.; Darbois-Texier, B.; Duchesne, A.; Brandenbourger, M.; Rednikov, A.; Colinet, P.; Dorbolo, S.

2016-09-01

We show that a volatile liquid drop placed at the surface of a nonvolatile liquid pool warmer than the boiling point of the drop can be held in a Leidenfrost state even for vanishingly small superheats. Such an observation points to the importance of the substrate roughness, negligible in the case considered here, in determining the threshold Leidenfrost temperature. A theoretical model based on the one proposed by Sobac et al. [Phys. Rev. E 90, 053011 (2014), 10.1103/PhysRevE.90.053011] is developed in order to rationalize the experimental data. The shapes of the drop and of the liquid substrate are analyzed. The model notably provides scalings for the vapor film thickness profile. For small drops, these scalings appear to be identical to the case of a Leidenfrost drop on a solid substrate. For large drops, in contrast, they are different, and no evidence of chimney formation has been observed either experimentally or theoretically in the range of drop sizes considered in this study. Concerning the evaporation dynamics, the radius is shown to decrease linearly with time whatever the drop size, which differs from the case of a Leidenfrost drop on a solid substrate. For high superheats, the characteristic lifetime of the drops versus the superheat follows a scaling law that is derived from the model, but, at low superheats, it deviates from this scaling by rather saturating.

Proceedings of U. S. Workshop on the Physics and Chemistry of Mercury Cadmium Telluride and Other IR Materials, Held in Danvers, Massachusetts on October 13 - 15, 1992

DTIC Science & Technology

1992-10-15

1011 4. R.D. Feldman, D. Lee, A. Partovi, R.P. Stanley, A.M. Johnson. J.E. Zucker, A.M. Glass and J. Hegarty, Critical Rev. SolidBromine 2 x 101 State...Growth 72, 462 (1985). 63. R.L. Chou, M.S. Lin and K.S. Chou, App!. Phys. Lett. 48, 523 32. H.L. Glass , M.R. Appleby Woods, M.C. Buehnerkemper, D.L. (1986...0.0A1203 1.76 0.0 will be assumed throughout this paper unless stated TeO2 2.31 0.0 otherwise. Au 0.183 3.10 The most common usage of an ellipsometer in

Hyperbolic metamaterial nanostructures to tune charge-transfer dynamics (Conference Presentation)

NASA Astrophysics Data System (ADS)

Lee, Kwang Jin; Xiao, Yiming; Woo, Jae Heun; Kim, Eun Sun; Kreher, David; Attias, André-Jean; Mathevet, Fabrice; Ribierre, Jean-Charles; Wu, Jeong Weon; André, Pascal

2016-09-01

Charge transfer (CT) is an essential phenomenon relevant to numerous fields including biology, physics and chemistry.1-5 Here, we demonstrate that multi-layered hyperbolic metamaterial (HMM) substrates alter organic semiconductor CT dynamics.6 With triphenylene:perylene diimide dyad supramolecular self-assemblies prepared on HMM substrates, we show that both charge separation (CS) and charge recombination (CR) characteristic times are increased by factors of 2.5 and 1.6, respectively, resulting in longer-lived CT states. We successfully rationalize the experimental data by extending Marcus theory framework with dipole image interactions tuning the driving force. The number of metal-dielectric pairs alters the HMM interfacial effective dielectric constant and becomes a solid analogue to solvent polarizability. Based on the experimental results and extended Marcus theory framework, we find that CS and CR processes are located in normal and inverted regions on Marcus parabola diagram, respectively. The model and further PH3T:PCBM data show that the phenomenon is general and that molecular and substrate engineering offer a wide range of kinetic tailoring opportunities. This work opens the path toward novel artificial substrates designed to control CT dynamics with potential applications in fields including optoelectronics, organic solar cells and chemistry. 1. Marcus, Rev. Mod. Phys., 1993, 65, 599. 2. Marcus, Phys. Chem. Chem. Phys., 2012, 14, 13729. 3. Lambert, et al., Nat. Phys., 2012, 9, 10. 4. C. Clavero, Nat. Photon., 2014, 8, 95. 5. A. Canaguier-Durand, et al., Angew. Chem. Int. Ed., 2013, 52, 10533. 6. K. J. Lee, et al., Submitted, 2015, arxiv.org/abs/1510.08574.

Exploring the High-Pressure Behavior of PETN: A Combined Quantum Mechanical and Experimental Study

DTIC Science & Technology

2006-11-01

calculations to explore the hypothesized compression-induced polymorphic phase transition [Gruzdkov 2004]. The initial crystal in these Figure 4...Scuseria, G.E., and Chabalowski, C.F. 2004: An ab Initio Study of Solid Nitromethane, HMX , RDX , and CL20: Successes and Failures of DFT. J. Phys. Chem... RDX , HMX , HNIW, and PETN Crystals. J. Phys. Chem. B, 103, 6783. Trotter, J., 1963: Bond lengths and angles in Pentaerythritol Tetranitrate. Acta

Fully relativistic B-spline R-matrix calculations for electron collisions with xenon

NASA Astrophysics Data System (ADS)

Bartschat, Klaus; Zatsarinny, Oleg

2009-05-01

We have applied our recently developed fully relativistic Dirac B-spline R-matrix (DBSR) code [1] to calculate electron scattering from xenon atoms. Results from a 31-state close-coupling model for the excitation function of the metastable (5p^5 6s) J=0,2 states show excellent agreement with experiment [2], thereby presenting a significant improvement over the most sophisticated previous Breit-Pauli calculations [3,4]. This allows for a detailed and reliable analysis of the resonance structure. The same model is currently being used to calculate electron-impact excitation from the metastable J=2 state. The results will be compared with recent experimental data [5] and predictions from other theoretical models [6,7]. [1] O. Zatsarinny and K. Bartschat, Phys. Rev. A 77 (2008) 062701. [2] S. J. Buckman et al., J. Phys. B 16 (1983) 4219. [3] A. N. Grum-Grzhimailo and K. Bartschat, J. Phys. B 35 (2002) 3479. [4] M. Allan et al., Phys. Rev. A 74 (2006) 030701(R). [5] R. O. Jung et al., Phys. Rev. A 72 (2005) 022723. [6] R. Srivastava et al., Phys. Rev. A 74 (2006) 012715. [7] J. Jiang et al., J. Phys. B 41 (2008) 245204.

Spin-flip transitions and departure from the Rashba model in the Au(111) surface

NASA Astrophysics Data System (ADS)

Ibañez-Azpiroz, Julen; Bergara, Aitor; Sherman, E. Ya.; Eiguren, Asier

2013-09-01

We present a detailed analysis of the spin-flip excitations induced by a periodic time-dependent electric field in the Rashba prototype Au(111) noble metal surface. Our calculations incorporate the full spinor structure of the spin-split surface states and employ a Wannier-based scheme for the spin-flip matrix elements. We find that the spin-flip excitations associated with the surface states exhibit an strong dependence on the electron momentum magnitude, a feature that is absent in the standard Rashba model [E. I. Rashba, Sov. Phys. Solid State 2, 1109 (1960)]. Furthermore, we demonstrate that the maximum of the calculated spin-flip absorption rate is about twice the model prediction. These results show that, although the Rashba model accurately describes the spectrum and spin polarization, it does not fully account for the dynamical properties of the surface states.

Fermionic Spinon Theory of Square Lattice Spin Liquids near the Néel State

NASA Astrophysics Data System (ADS)

Thomson, Alex; Sachdev, Subir

2018-01-01

Quantum fluctuations of the Néel state of the square lattice antiferromagnet are usually described by a CP1 theory of bosonic spinons coupled to a U(1) gauge field, and with a global SU(2) spin rotation symmetry. Such a theory also has a confining phase with valence bond solid (VBS) order, and upon including spin-singlet charge-2 Higgs fields, deconfined phases with Z2 topological order possibly intertwined with discrete broken global symmetries. We present dual theories of the same phases starting from a mean-field theory of fermionic spinons moving in π flux in each square lattice plaquette. Fluctuations about this π -flux state are described by (2 +1 )-dimensional quantum chromodynamics (QCD3 ) with a SU(2) gauge group and Nf=2 flavors of massless Dirac fermions. It has recently been argued by Wang et al. [Deconfined Quantum Critical Points: Symmetries and Dualities, Phys. Rev. X 7, 031051 (2017)., 10.1103/PhysRevX.7.031051] that this QCD3 theory describes the Néel-VBS quantum phase transition. We introduce adjoint Higgs fields in QCD3 and obtain fermionic dual descriptions of the phases with Z2 topological order obtained earlier using the bosonic CP1 theory. We also present a fermionic spinon derivation of the monopole Berry phases in the U(1) gauge theory of the VBS state. The global phase diagram of these phases contains multicritical points, and our results imply new boson-fermion dualities between critical gauge theories of these points.

Relativistic coupled-cluster and density-functional studies of argon at high pressure

NASA Astrophysics Data System (ADS)

Schwerdtfeger, Peter; Steenbergen, Krista G.; Pahl, Elke

2017-06-01

The equation of state P (V ,T ) for solid argon is determined by the calculation of accurate static and vibrational terms in the free energy. The static component comes from a quantum theoretical many-body expansion summing over all energetic contributions from two-, three-, and four-body fragments treated with relativistic coupled cluster theory, while the lattice vibrations are described at an anharmonic level including two- and three-body forces as well as temperature effects. The dynamic part is calculated within the Debye and Einstein approximation, as well as by a more accurate phonon treatment where the vibrational motions in the lattice are coupled. Our results are in good agreement with room-temperature high-pressure experimental data up to ˜20 GPa. In the 20-100 GPa pressure range, however, we see considerable deviations between experiment and theory, perhaps indicating missing four-body contributions (beyond the quadruple dipole terms included here), missing five and higher-body effects, and the need to go beyond the coupled cluster singles-doubles with perturbative triples treatment in such higher-body forces. This contrasts with the results for solid neon, where excellent agreement has been achieved taking only two- and three-body forces into account [P. Schwerdtfeger and A. Hermann, Phys. Rev. B 80, 064106 (2009), 10.1103/PhysRevB.80.064106]. We demonstrate that the phase transition from fcc to hcp cannot account for the large discrepancies observed. Density functional calculations give very mixed results in the high-pressure region, but some functionals such as optB88-vdW (proposed by Lundqvist and co-workers) describe the many-body forces in argon reasonably well over the range of pressures investigated. Theoretical investigations of the heavier rare gas solids reaching experimental accuracy in the high-pressure regime therefore remain a significant challenge.

Dispersion interactions in room-temperature ionic liquids: Results from a non-empirical density functional

NASA Astrophysics Data System (ADS)

Kohanoff, Jorge; Pinilla, Carlos; Youngs, Tristan G. A.; Artacho, Emilio; Soler, José M.

2011-10-01

The role of dispersion or van de Waals (VDW) interactions in imidazolium-based room-temperature ionic liquids is studied within the framework of density functional theory, using a recently developed non-empirical functional [M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004), 10.1103/PhysRevLett.92.246401], as efficiently implemented in the SIESTA code [G. Román-Pérez and J. M. Soler, Phys. Rev. Lett. 103, 096102 (2009), 10.1103/PhysRevLett.103.096102]. We present results for the equilibrium structure and lattice parameters of several crystalline phases, finding a general improvement with respect to both the local density (LDA) and the generalized gradient approximations (GGA). Similar to other systems characterized by VDW bonding, such as rare gas and benzene dimers as well as solid argon, equilibrium distances and volumes are consistently overestimated by ≈7%, compared to -11% within LDA and 11% within GGA. The intramolecular geometries are retained, while the intermolecular distances and orientations are significantly improved relative to LDA and GGA. The quality is superior to that achieved with tailor-made empirical VDW corrections ad hoc [M. G. Del Pópolo, C. Pinilla, and P. Ballone, J. Chem. Phys. 126, 144705 (2007), 10.1063/1.2715571]. We also analyse the performance of an optimized version of this non-empirical functional, where the screening properties of the exchange have been tuned to reproduce high-level quantum chemical calculations [J. Klimes, D. Bowler, and A. Michaelides, J. Phys.: Condens. Matter 22, 074203 (2010), 10.1088/0953-8984/22/7/074203]. The results for solids are even better with volumes and geometries reproduced within 2% of experimental data. We provide some insight into the issue of polymorphism of [bmim][Cl] crystals, and we present results for the geometry and energetics of [bmim][Tf] and [mmim][Cl] neutral and charged clusters, which validate the use of empirical force fields.

P - ρ - T data for H2O up to 260 GPa under laser-driven shock loading

NASA Astrophysics Data System (ADS)

Kimura, T.; Ozaki, N.; Sano, T.; Okuchi, T.; Shimizu, K.; Miyanishi, K.; Terai, T.; Kakeshita, T.; Sakawa, Y.; Kodama, R.

2014-12-01

H2O is believed to be one of the most abundant compounds in ice giants including Neptune and Uranus1. Therefore, equation of state (EOS) for H2O is critical for understanding the formation and evolution of these planets. Various EOS models have been suggested for modeling the interior structure of the ice giants2-4. The recent shock experiments reported that their P - ρ data of H2O are in agreement with those of the QMD based EOS model5, indicating that this model is most suitable for modeling H2O in the ice giants. Whether H2O is in the solid or liquid state in the planetary interior has a great importance to understand their internal structures6. While the QMD model predicted that the solid H2O is present in deep interior of their planets above ~100 GPa4, the recent measurements revealed that H2O remains in the liquid state even at the deep interior conditions7. This discrepancy between experimental and theoretical studies suggests that the QMD based EOS model is disputable for modeling the planetary interior. Indeed, the comparison between data obtained from the shock experiments and the QMD based EOS did not cover the temperature5. We have obtained P - ρ - T data for H2O up to 260 GPa by using laser-driven shock compression technique. The diamond cell applied for the laser shock experiments was used as the sample container in order to achieve temperature conditions lower than the principal Hugoniot states. This shock technique combined with the cell can be used for an assessment the EOS models because it is possible to compare the states under the conditions that the contrast between the models clearly appears. Our data covering P - ρ - T on both the principal and the off Hugoniot curves agree with those of the QMD model, indicating this model to be adopted as the standard for modeling the interior structures of Neptune, Uranus, and exoplanets. References 1W. B. Hubbard et al., The interior of Neptune: Neptune and Triton(Univ. Arizona Press, Tucson, 1995) p.109-138. 2S. P. Lyon and J. D. Johnson, Los Alamos Technical Report No. LA-UR-92-3407, 1992. 3F. H. Ree, Lawrence Livemore Laboratory Technical Report No. UCRL-52190, 1976. 4M. French et al., Phys. Rev. B 79, 054107 (2009). 5M. D. Knudson et al., Phys. Rev. Lett. 108, 091102 (2012). 6 R. Redmer et al., Icarus 211, 798 (2011). 7T. Kimura et al., J. Chem. Phys. 140, 074501 (2014).

Precise parameterization of the recombination velocity at passivated phosphorus doped surfaces

NASA Astrophysics Data System (ADS)

Kimmerle, Achim; Momtazur Rahman, Md.; Werner, Sabrina; Mack, Sebastian; Wolf, Andreas; Richter, Armin; Haug, Halvard

2016-01-01

We investigate the surface recombination velocity Sp at the silicon-dielectric interface of phosphorus-doped surfaces for two industrially relevant passivation schemes for crystalline silicon solar cells. A broad range of surface dopant concentrations together with a high accuracy of evaluating the latter is achieved by incremental back-etching of the surface. The analysis of lifetime measurements and the simulation of the surface recombination consistently apply a set of well accepted models, namely, the Auger recombination by Richter et al. [Phys. Rev. B 86, 1-14 (2012)], the carrier mobility by Klaassen [Solid-State Electron. 35, 953-959 (1992); 35, 961-967 (1992)], the intrinsic carrier concentration for undoped silicon by Altermatt et al. [J. Appl. Phys. 93, 1598-1604 (2003)], and the band-gap narrowing by Schenk [J. Appl. Phys. 84, 3684-3695 (1998)]. The results show an increased Sp at textured in respect to planar surfaces. The obtained parameterizations are applicable in modern simulation tools such as EDNA [K. R. McIntosh and P. P. Altermatt, in Proceedings of the 35th IEEE Photovoltaic Specialists Conference, Honolulu, Hawaii, USA (2010), pp. 1-6], PC1Dmod [Haug et al., Sol. Energy Mater. Sol. Cells 131, 30-36 (2014)], and Sentaurus Device [Synopsys, Sentaurus TCAD, Zürich, Switzerland] as well as in the analytical solution under the assumption of local charge neutrality by Cuevas et al. [IEEE Trans. Electron Devices 40, 1181-1183 (1993)].

Stress formulation in the all-electron full-potential linearized augmented plane wave method

NASA Astrophysics Data System (ADS)

Nagasako, Naoyuki; Oguchi, Tamio

2012-02-01

Stress formulation in the linearlized augmented plane wave (LAPW) method has been proposed in 2002 [1] as an extension of the force formulation in the LAPW method [2]. However, pressure calculations only for Al and Si were reported in Ref.[1] and even now stress calculations have not yet been fully established in the LAPW method. In order to make it possible to efficiently relax lattice shape and atomic positions simultaneously and to precisely evaluate the elastic constants in the LAPW method, we reformulate stress formula in the LAPW method with the Soler-Williams representation [3]. Validity of the formulation is tested by comparing the pressure obtained as the trace of stress tensor with that estimated from total energies for a wide variety of material systems. Results show that pressure is estimated within the accuracy of less than 0.1 GPa. Calculations of the shear elastic constant show that the shear components of the stress tensor are also precisely computed with the present formulation [4].[4pt] [1] T. Thonhauser et al., Solid State Commun. 124, 275 (2002).[0pt] [2] R. Yu et al., Phys. Rev. B 43, 6411 (1991).[0pt] [3] J. M. Soler and A. R. Williams, Phys. Rev. B 40, 1560 (1989).[0pt] [4] N. Nagasako and T. Oguchi, J. Phys. Soc. Jpn. 80, 024701 (2011).

Decoherence: Intrinsic, Extrinsic, and Environmental

NASA Astrophysics Data System (ADS)

Stamp, Philip

2012-02-01

Environmental decoherence times have been difficult to predict in solid-state systems. In spin systems, environmental decoherence is predicted to arise from nuclear spins, spin-phonon interactions, and long-range dipolar interactions [1]. Recent experiments have confirmed these predictions quantitatively in crystals of Fe8 molecules [2]. Coherent spin dynamics was observed over macroscopic volumes, with a decoherence Q-factor Qφ= 1.5 x10^6 (the upper predicted limit in this system being Qφ= 6 x10^7). Decoherence from dipolar interactions is particularly complex, and depends on the shape and the quantum state of the system. No extrinsic ``noise'' decoherence was observed. The generalization to quantum dot and superconducting qubit systems is also discussed. We then discuss searches for ``intrinsic'' decoherence [3,4], coming from non-linear corrections to quantum mechanics. Particular attention is paid to condensed matter tests of such intrinsic decoherence, in hybrid spin/optomechanical systems, and to ways of distinguishing intrinsic decoherence from environmental and extrinsic decoherence sources. [4pt] [1] Morello, A. Stamp, P. C. E. & Tupitsyn, Phys. Rev. Lett. 97, 207206 (2006).[0pt] [2] S. Takahashi et al., Nature 476, 76 (2011).[0pt] [3] Stamp, P. C. E., Stud. Hist. Phil. Mod. Phys. 37, 467 (2006). [0pt] [4] Stamp, P.C.E., Phil. Trans. Roy. Soc. A (to be published)

Disentangled solid state and metastable polymer melt; a solvent free route to high-modulus high-strength tapes and films of UHMWPE

NASA Astrophysics Data System (ADS)

Rastogi, Sanjay

2013-03-01

Ultra High Molecular Weight Polyethylene (UHMWPE) having average molar mass greater than a million g/mol is an engineering polymer. Due to its light-weight, high abrasion resistance and biocompatibility it is used for demanding applications such as body armour, prostheses etc. At present, because of its high melt viscosity to achieve the uniaxial/biaxial properties in the form of fibers/films the polymer is processed via solution route where nearly 95wt% of the solvent is used to process 5wt% of the polymer. In past several attempts have been made to process the polymer without using any solvent. However, compared to the solvent processing route the achieved mechanical properties were rather poor. Here we show that by controlled synthesis it is feasible to obtain UHMWPE that could be processed free of solvent to make uniaxial tapes and biaxial films, having unprecedented mechanical properties, exceeding that of the solution spun fibers. We address some of the fundamental aspects of chemistry, physics, rheology and processing for the development of desired morphological features to achieve the ultimate mechanical properties in tapes and films. The paper will also address the metastable melt state obtained on melting of the disentangled crystals and its implication on rheology in linear and nonlinear viscoelastic region. Solid state NMR studies will be applied to establish disentangled state in solid state to the polymerisation conditions. References: Macromolecules 2011, 44(14), 5558-5568; Nature Materials 2005, 4, 635-641; Phys Rev Lett 2006, 96(21), 218303-218205. The authors acknowledge financial support by the Dutch Polymer Institute.

Bipolar Spintronics: From magnetic diodes to magnetic bipolar transistors

NASA Astrophysics Data System (ADS)

Zutic, Igor

2004-03-01

We develop a theory of bipolar (electrons and holes) spin-polarized transport [1,2] in semiconductors and discuss its implications for spintronic devices [3]. In our proposal for magnetic bipolar transistors [4,5] we show how bipolar spintronics can lead to spin and magnetic field controlled active devices, not limited by the magnetoresistive effects used in all-metallic structures [3]. We focus on magnetic p-n diodes [1,2] with spatially dependent spin splitting (Zeeman or exchange) of carrier bands. An exchange splitting can be provided by ferromagnetic semiconductors [6], while a large Zeeman splitting can be realized in the presence of magnetic field in magnetically doped or narrow band gap semiconductors [3]. Our theory of magnetic diodes [1,2] can be directly applied to magnetic bipolar transistors--the three-terminal devices which consist of two magnetic p-n diodes connected in series [4,5]. Predictions of exponentially large magnetoresistance [1] and a strong coupling between the spin and charge transport leading to the spin-voltaic effect [1,7] for magnetic diodes are also relevant for magnetic bipolar transistors. In particular, in n-p-n transistors, we show the importance of considering the nonequilibrium spin leading to the spin-voltaic effect. In addition to the applied magnetic filed, the injected nonequilibrium spin can be used to dynamically control the current amplification (gain). Recent experimental progress [8,9] supports the viability of our theoretical proposals. [1] I. Zutic, J. Fabian, S. Das Sarma, Phys. Rev. Lett. 88, 066603 (2002). [2] J. Fabian, I. Zutic, S. Das Sarma, Phys. Rev. B 66, 165301 (2002). [3] I. Zutic, J. Fabian, S. Das Sarma, Rev. Mod. Phys., in press. [4] J. Fabian, I. Zutic, S. Das Sarma, cond-mat/0211639; cond-mat/0307014, Appl. Phys. Lett., in press. [5] J. Fabian and I. Zutic, cond-mat/0311456. [6] H. Ohno, Science 281, 951 (1998). [7] I. Zutic, J. Fabian, S. Das Sarma, Appl. Phys. Lett. 82, 221 (2003). [8] N. Samarth, S. H. Chun, K. C. Ku, S. J. Potashnik, P. Schiffer, Solid State Commun. 127, 173 (2003). [9] F. Tsui, L. Ma, L. He, Appl. Phys. 83, 954 (2003).

Application of Van Der Waals Density Functional Theory to Study Physical Properties of Energetic Materials

NASA Astrophysics Data System (ADS)

Conroy, M. W.; Budzevich, M. M.; Lin, Y.; Oleynik, I. I.; White, C. T.

2009-12-01

An empirical correction to account for van der Waals interactions based on the work of Neumann and Perrin [J. Phys. Chem. B 109, 15531 (2005)] was applied to density functional theory calculations of energetic molecular crystals. The calculated equilibrium unit-cell volumes of FOX-7, β-HMX, solid nitromethane, PETN-I, α-RDX, and TATB show a significant improvement in the agreement with experimental results. Hydrostatic-compression simulations of β-HMX, PETN-I, and α-RDX were also performed. The isothermal equations of state calculated from the results show increased agreement with experiment in the pressure intervals studied.

Monte Carlo simulations for the free energies of C60 and C70 fullerene crystals by acceptance ratio method and expanded ensemble method

NASA Astrophysics Data System (ADS)

Kim, Minkyu; Chang, Jaeeon; Sandler, Stanley I.

2014-02-01

Accurate values of the free energies of C60 and C70 fullerene crystals are obtained using expanded ensemble method and acceptance ratio method combined with the Einstein-molecule approach. Both simulation methods, when tested for Lennard-Jones crystals, give accurate results of the free energy differing from each other in the fifth significant digit. The solid-solid phase transition temperature of C60 crystal is determined from free energy profiles, and found to be 260 K, which is in good agreement with experiment. For C70 crystal, using the potential model of Sprik et al. [Phys. Rev. Lett. 69, 1660 (1992)], low-temperature solid-solid phase transition temperature is found to be 160 K determined from the free energy profiles. Whereas this is somewhat lower than the experimental value, it is in agreement with conventional molecular simulations, which validates the methodological consistency of the present simulation method. From the calculations of the free energies of C60 and C70 crystals, we note the significance of symmetry number for crystal phase needed to properly account for the indistinguishability of orientationally disordered states.

Shock-wave ion acceleration by an ultra-relativistic short laser pulse

NASA Astrophysics Data System (ADS)

Zhidkov, A.; Batishchev, O.; Uesaka, M.

2002-11-01

Research on ion acceleration by intense short laser pulses grows in the last few years [1-9] because of various applications. However, the study is mainly focused on the forward ion acceleration. We study ion inward acceleration, which in contrast to other mechanisms has density of ions per unit energy not decreased with the laser intensity [8]. Magnetic field generated due to a finite size of laser spot can affect electron distribution. In the present work we study the effect of magnetic field on the shock wave formation and ion acceleration in a solid target via 2D PIC and Vlasov simulation. Though the PIC simulation can provide detailed information, in relativistic plasmas it may not calculate B correctly: (i) too many particles are needed to make B disappeared in thermal plasmas, (ii) local scheme [10] does not satisfy curl(Epl)=0. Therefore, two approaches are used in the present study. [1] S. P. Hatchett et al., Phys. Plas. 7, 2076 (2000); [2] A. Maksimchuk et al., Phys. Rev. Lett. 84, 4108 (2000); [3] E.L. Clark et al., Phys. Rev. Lett. 85, 1654 (2000); [4] A. Zhidkov et al., Phys. Rev. E60, 3273 (1999); E61, R2224 (2000); [5] Y. Murakami et al, Phys. Plasmas 8,4138 (2001); [6] T.Zh. Esirkepov et al, JETP Lett. 70, 82 (1999); [7] A. Pukhov, Phys. Rev. Lett. 86, 3562(2001); [8] A.A. Andreev et al., Plasma Phys. Contr. Fusion (2002); [9] O.V. Batishchev et al., Plasma Phys. Rep. 20, 587 (1994); [10] J. Villasenor et al., Comp. Phys. Comm. 69, 306 (1992).

David Adler Lectureship Award in the Field of Materials Physics Talk: Surfaces of Quasicrystals

NASA Astrophysics Data System (ADS)

Thiel, Patricia

2010-03-01

Quasiperiodic order is recognized (in a utilitarian, rather than a mathematical sense) by the absence of periodicity, concurrent with a classically-forbidden rotational symmetry. It is quite beautiful, having captured the attention of scientists and artists alike. Following the discovery of quasiperiodic order in a real system,footnotetextD. Shechtman, I. Blech, D. Gratias, and J.W. Cahn, Phys. Rev. Lett. 53, 1951 (1984). many metallic alloys and intermetallics were found to exhibit this type of order on the atomic scale. More recently ``soft'' quasicrystals were discovered,footnotetextL. Bindi, P.J. Steinhardt, N. Yao, and P.J. Lu, Science 324, 1306 (2009). and nanocrystalline arrays were found to spontaneously adopt quasiperiodic order.footnotetextD.V. Talapin, E.V. Shevchenko, M.I. Bodnarchuk, X. Ye, J. Chen, and C.B. Murray, Nature 461 , 964 (2009). From a scientific perspective, quasicrystals are alluring because they allow us to test the relationship between atomic structure and physical properties. This talk deals with the ways in which our understanding of solid surfaces has been both enriched and challenged by these complex materials.footnotetextP. Thiel, Annu. Rev. Phys. Chem. (2008).^,footnotetextV. Fourn'ee, J. Ledieu, and P. Thiel, J. Phys: Condens. Matter. 20, 3310301 (2008). properties of the metallic quasicrystals originally generated interest because they were unusual.footnotetextJ.M. Dubois, Useful Quasicrystals(World Scientific, Singapore, 2005). For instance, among Al-rich alloys, the Al-based quasicrystalline phases exhibit puzzling resistance to surface oxidation. Also, Al-rich quasicrystals have surprisingly good and promising catalytic properties (e.g. for steam reforming of methanol).footnotetextA.P. Tsai and M. Yoshimura, Appl. Cat. A: General 214 , 237 (2001). Perhaps most famously, they exhibit low friction.^7 Comparisons with crystalline materials have established that these features are deeply related to the quasiperiodic atomic structure. talk focuses, first, on the ways that surfaces of quasicrystals are unusual templates for adsorption and solid film growth.footnotetextV. Fourn'ee and P.A. Thiel, J. Phys. D: Appl. Phys. 38, R83 (2005). They can enforce quasicrystalline structure in films,footnotetextK.J. Franke, H.R. Sharma, W. Theis, P. Gille, P. Ebert, and K.H. Rieder, Phys. Rev. Lett. 89, 156104 (2002). opening the door to exploration of the properties of materials in such an ``unnatural'' state. The electronic structure at quasicrystal surfaces can affect film morphology through a quantum size effect.footnotetextV. Fourn'ee, H.R. Sharma, M. Shimoda, A.P. Tsai, B. Unal, A.R. Ross, T.A. Lograsso, and P.A. Thiel, Phys. Rev. Lett. 95, 155504 (2005).^,footnotetextB. "Unal, V. Fourn'ee, P.A. Thiel, and J.W. Evans, Phys. Rev. Lett. 102, 196103 (2009). Quasicrystal surfaces have broad ensembles of adsorption sites,footnotetextB. "Unal, C.J. Jenks, and P.A. Thiel, J. Phys: Condens. Matter. 21, 055009 (2009). including trap sites that may lead to quasi-periodic arrays of islands.footnotetextT. Cai, J. Ledieu, R. McGrath, V. Fourn'ee, T.A. Lograsso, A.R. Ross, and P.A. Thiel, Surface Sci. 526, 115 (2003).^,footnotetextB. Unal, V. Fourn'ee, K.J. Schnitzenbaumer, C. Ghosh, C.J. Jenks, A.R. Ross, T.A. Lograsso, J.W. Evans, and P.A. Thiel, Phys. Rev. B 75, 064205 (2007). This talk also focuses on their low friction, when measured with techniques that probe macroscopic scales (conventional pin-on-disk tribometers) to nanoscopic scales (atomic force microscopy).footnotetext5. J.Y. Park, D.F. Ogletree, M. Salmeron, R.A. Ribeiro, P.C. Canfield, C.J. Jenks, and P.A. Thiel, Science , 1354 (2005).

Temperature dependence of the A, B, and C excitons in ZnO over 5-400 K: A modulated reflectivity study.

NASA Astrophysics Data System (ADS)

Tsoi, S.; Cardona, M.; Lauck, R.; Alawadhi, H.; Lu, X.; Grimsditch, M.; Ramdas, A. K.

2005-03-01

Optical properties of ZnO, a wide gap semiconductor with wurtzite structure, have generated renewed interest in the material in the context of opto-electronic phenomena and applications. The A, B, and C excitons of ZnO, arising from the combined effects of crystal field and spin-orbit splittings of the valence band, are investigated in the temperature range 5- 400 K, exploiting electro-, photo-, and wavelength-modulated reflectivity. The specimens studied have natural isotopic composition. The temperature dependence of the A, B, and C excitonic band gaps, fitted with a two harmonic oscillator modelootnotetextM. Cardona, Phys. Status. Solidi b 220, 5 (2000); R. Pä'ssler, J. Appl. Phys. 89, 6235 (2001) following Manj'on et al.ootnotetextF. J. Manj'on et al., Solid State Commun. 128, 35 (2003), yields the magnitudes of the zero-point renormalizations 262 meV (A), 227 meV (B), and 249 meV (C), respectively. Isotopically controlled ZnO is currently being investigated to determine the isotopic mass dependence of the zero-point renormalizations.

Ab initio 27Al NMR chemical shifts and quadrupolar parameters for Al2O3 phases and their precursors

NASA Astrophysics Data System (ADS)

Ferreira, Ary R.; Küçükbenli, Emine; Leitão, Alexandre A.; de Gironcoli, Stefano

2011-12-01

The gauge-including projector augmented wave (GIPAW) method, within the density functional theory (DFT) generalized gradient approximation (GGA) framework, is applied to compute solid state NMR parameters for 27Al in the α, θ, and κ aluminium oxide phases and their gibbsite and boehmite precursors. The results for well established crystalline phases compare very well with available experimental data and provide confidence in the accuracy of the method. For γ-alumina, four structural models proposed in the literature are discussed in terms of their ability to reproduce the experimental spectra also reported in the literature. Among the considered models, the Fd3¯m structure proposed by Paglia [Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.71.224115 71, 224115 (2005)] shows the best agreement. We attempt to link the theoretical NMR parameters to the local geometry. Chemical shifts depend on coordination number but no further correlation is found with geometrical parameters. Instead, our calculations reveal that, within a given coordination number, a linear correlation exists between chemical shifts and Born effective charges.

Foreword: Sir John Pendry FRS Sir John Pendry FRS

NASA Astrophysics Data System (ADS)

Inglesfield, John; Echenique, Pedro

2008-07-01

John Pendry John Inglesfield and Pedro Echenique write: John Pendry's 65th birthday is on 4 July 2008, and this issue of the Journal of Physics: Condensed Matter is dedicated to him, with articles by friends, colleagues, and former students. By any standards, John Pendry is a great scientist, who has made—and continues to make—an enormous contribution to physics; the wide range of his interests is reflected in the scope of these articles. Not many scientists can establish a completely new and unexpected area of research, but this has been John's achievement in the last few years in the field of metamaterials, materials whose electromagnetic properties depend on their structure rather than the materials of which the structure is built. In this way, structures with effectively negative electrical permittivity and negative magnetic permeability can be constructed, demonstrating negative refraction; through metamaterials scientists now have access to properties not found in nature, and never previously explored experimentally. Never a week goes by without a potential new application of metamaterials, whether it is perfect lensing, or the cloak of invisibility. This has certainly led to tremendous visibility for John himself, with guest lectures all over the world, and radio and television appearances. John Pendry's first paper was published exactly 40 years ago, 'Analytic properties of pseudopotentials' [1], and since then he has published 310 articles at the latest count. But this first paper already reflected something of the way John works. His PhD project, with Volker Heine at the Cavendish Laboratory, was to interpret the scattering of low energy electrons from surfaces, the technique of LEED which was to become the method of choice for determining surface structure. Although the energy of the electrons in LEED is relatively low—say 50 eV—it is much higher than the energy of the conduction electrons, for which pseudopotentials had been devised, and John realised that he should explore the properties of pseudopotentials in depth. This had never been done before, and the result was a paper of typical originality. The story of how John explored truly original aspects of physics, right from the start of his research career, is given by Volker Heine (in his own inimitable style), at the end of this short biography. Of course the result of John's PhD research was his development of the entire methodology for computing and interpreting LEED intensities, and their relationship to surface atomic structure. With experiments performed by Stig Andersson in Gothenburg, John's calculations led to the first ever surface structure determination, of Na adsorbed in a c(2 x 2) structure on Ni(001) [2]. His 1974 book, 'Low Energy Electron Diffraction' [3], remains a classic, and not only for LEED theorists—there is plenty of other surface science here to get one's teeth into. John extended the theory of LEED in the 1980s with the introduction of several new theoretical techniques and concepts. The Pendry R-factor [4] enabled surface structure determination to be largely automated, and quantified agreement between LEED theory and experiment. Tensor-LEED was developed by John, together with his PhD student Philip Rous [5], as an accurate approximation for calculating the LEED spectra of complex surface structures, enabling structures of hitherto impossible complexity to be determined. The methods of DLEED—both the experimental technique and its theoretical interpretation—were developed with Saldin, Van Hove and the Erlangen group of Heinz and Müller [6, 7]; this is a technique for interpreting electron scattering from atoms randomly adsorbed on surfaces, hence determining their bonding to neighbouring atoms. LEED experiments and calculations continue to this day, of course, with John's contribution remaining fundamental. Articles in this issue by John's former PhD student Michel Van Hove, his one-time post-doc Dilano Saldin, and his long-standing collaborator Klaus Heinz, illustrate the power of LEED in determining surface structure. And everywhere in the surface science literature you will see the Pendry R-factor quoted, as a measure of the accuracy of the structure determination. The contribution which theory and computation can make to the interpretation of electron spectroscopies has been an underlying theme in John's work over many years, and as in the case of LEED he has developed the computer programs to make the interpretation possible. After finishing his PhD in 1969, and during the period of a research fellowship at Downing College, Cambridge, John spent the year 1972-3 at Bell Laboratories in Murray Hill, New Jersey; it was there that he started collaborating with Patrick Lee on the interpretation of extended x-ray absorption fine structure (EXAFS) [8], oscillations seen above the absorption edge when x-rays excite core electrons of atoms in a molecular or solid state environment. This was the first quantitative theory of the effect, and led to the use of EXAFS in determining atomic structure in systems, such as glasses, where x-ray diffraction is less useful. Since then, EXAFS and its derivative techniques such as NEXAFS (which explores the structure immediately above the absorption edge, particularly sensitive to chemical bonding), and SEXAFS (EXAFS at surfaces) have become standard techniques in the armoury of structure determination methods at every synchrotron radiation laboratory. And it was to the Daresbury Laboratory in Cheshire, with its synchrotron radiation facility, that John moved in 1975, from Cambridge, as Head of the Theory Group. This was an inspired appointment on the part of the then Science and Engineering Research Council, as it led to unrivalled theoretical support for the electron spectroscopists using the SRS facility. For John it was a move back to the North of England, the area from which he came and where he had been to school. In Daresbury he published his theory of angle-resolved photoemission [9], which remains the standard model in the field. These methods have enabled the band structure of electrons in solids and at surfaces to be determined to unprecedented accuracy, on the basis of photoemission experiments. But photoemission involves the occupied electronic states—what about the unoccupied states? These are just as important, certainly from the point of view of understanding the band structure and the many-body interaction with other electrons. In 1980 John proposed the technique of inverse photoemission, in which an electron emits light as it decays into the unoccupied states in the vicinity of the surface [10]. The viability of this technique was demonstrated soon afterwards, and it is now widely used for probing unoccupied electron states. It was natural that John should explore the nature of electronic states at surfaces, and with Steve Gurman and later Pedro Echenique he developed criteria for the existence of the localised surface states, so important in determining surface properties and readily detectable using photoemission and inverse photoemission [11]. Their computational techniques were based on those used in the LEED and photoemission programs—the semi-infinite solid is split into atomic layers, the scattering properties of each layer are calculated, and then these are combined together to give the scattering of the solid with a surface. Such techniques are still immensely useful, and Simon Crampin has developed them further to calculate electronic states at surfaces with atomic islands, for example. This work began when John was still at Cambridge, but it was after his move to Daresbury that perhaps his most important work on surface states was produced—the demonstration of the possibility of resolving the image-potential-induced surface states on metal surfaces, with Echenique [12]. These states are caused by the image potential trapping an electron, which cannot penetrate into the bulk if its energy lies in a band-gap; the image states form a Rydberg series, and as their energy is just below the vacuum level, they are normally unoccupied. This makes inverse photoemission the ideal technique for observing them. Recent developments on two-photon photoemission, energy- and time-resolved, have produced a wealth of experimental information on these states. Since their prediction and observation, image states have become a playground for theoretical and experimental studies of many-electron effects at surfaces. It is remarkable how John Pendry maintained his position as the leading theoretical surface physicist in the UK (and possibly the world) at the same time that he developed new areas of research. In 1981 John moved to Imperial College as Professor of Theoretical Solid State Physics and Head of the Condensed Matter Theory Group, and soon after began to study the behaviour of electrons in disordered systems, a field in which he collaborated with his colleague Angus MacKinnon. John applied group theoretical methods to study the transport of electrons in disordered media, and obtained for the first time a complete solution of the general scattering problem in one dimension [13], deriving advanced techniques for studying higher dimensions [14]. A key result was the prediction that in all dimensions, the channels for transport (distinct ways in which an electron can propagate through the system) are either open (that is, essentially transparent) or closed (opaque) in the limit of large systems [15]. These notions are relevant to such topical research as the conductivity of bio-molecules. In this novel approach to transport, John was helped by his wife Pat, who is a mathematician by training, with a thesis on group representation theory—John benefited not only from Pat's expertise, but also from her library on group theory, which was far better than that of most universities! (John and Pat wrote a joint paper shortly after they met in Cambridge, on scattering methods—a recurring theme in John's research [16].) What drove John to develop this new area of research, when the work on LEED and tensor-LEED was progressing so successfully? The answer is that he has always made a conscious effort to work on completely new topics, every ten years or so. The question was what next? We remember John remarking about 20 years ago that the propagation of light in artificial periodic systems would be important in the future, and it turned out that the layer techniques he had developed for electronic structure could be adapted to electromagnetic waves (not so straightforward because of the vectorial nature of the electromagnetic field). As a result, and because of his appreciation of the importance of this field, John was working in photonics right from the start, and in 1994 he published his first papers on photonic band structures; his techniques enabled the interaction of light with metallic systems to be calculated, unlike the existing, poorly converging, plane wave methods. The titles of his early photonics papers show the originality of his work, and perhaps already indicate where it would eventually lead—'Refraction and geometry in Maxwell's equations'[17], 'Absolute three-dimensional photonic band gap in the infrared regime in woven structures' [18], 'Transmission resonances on metallic gratings with very narrow slits' [19], and many more. John went much further than most other researchers in the field, for example exploring the consequences of the near-field electromagnetic radiation, leading amongst other effects to friction between separated resistive plates, which could be associated with Van der Waal's forces [20]. And early on, he had invented the concept of metamaterials, devising a metallic mesostructure consisting of a three-dimensional array of wires with an extremely low plasmon frequency [21, 22]. Where it led to was the brilliant work on metamaterials which would show negative refraction [23, 24], the concept of the perfect lens [25], ways of exploiting the near field for imaging purposes [26], methods of controlling electromagnetic fields and 'cloaks of invisibility [27], and much more. His physical insight, as well as his mathematical virtuosity, was demonstrated early on in the story of metamaterials by the famous split-ring structure, with negative magnetic permeability as well as negative permittivity, and the way that John could solve Maxwell's equations for this system to give an effective epsilon and μ [23]. The split-ring resonator has been adopted in many laboratories as the starting point for their metamaterial designs. The work on the perfect lens sparked storms of enthusiasm and controversy in equal measure when it was first published in 2000, in the Physical Review Letter 'Negative refraction makes a perfect lens' [25]. Many eminent scientists demonstrated that the perfect lens, unlimited by conventional resolution criteria, was impossible, but of course it wasn't (we knew he was right!), and John's experimental colleagues have subsequently demonstrated the lensing effect. John's paper in 2000 has already been cited more than 1300 times, and was named letter-of-the-year: it can safely be said that the concept of the perfect lens has revolutionised nanoscale optics. His recent work with collaborators at Duke has shown that it is possible to design a 'cloak' that screens objects from electromagnetic fields; this resolved a long-standing mathematical challenge, questioning whether a region of space could be completely screened in this way [27]. Needless to say, this concept of a cloak of invisibility, which has been realised experimentally [28], has attracted great media interest, as well as numerous emails from schoolchildren. John has always made a full contribution to wider scientific life, and during this latest, immensely productive period he has been Dean of the Royal College of Science (1993-1996), Head of Department at Imperial College (1998-2001), and subsequently Principal of the Faculty of Physical Sciences (2001- 2002). He has taken on the chairmanship of the Physics Sub-Panel of the 2008 UK Research Assessment Exercise, a huge task which he began in 2005. Elected a Fellow of the Royal Society in 1984, he has been Member of Council from 1992-1994, and Editor of the Royal Society Proceedings A from 1996-2002. For the Institute of Physics, since 2007 he has been Member of Council, Chairman of Institute of Physics Publishing and Vice-President for Publishing. He has received honours and awards, recognising his contributions, culminating in his knighthood for services to science in 2004, and the Royal Medal of the Royal Society in 2006. John Pendry has worked with many research students, post-docs, and leading theoreticians and experimentalists, and has always been thoughtful and generous in his interactions with others. He is a very loyal person, loyal to friends, colleagues, his old college—it gave him great pleasure to be awarded an Honorary Fellowship at Downing College in 2005. Beyond science there is that necessary hinterland, particularly his love and knowledge of music, for John is a fine pianist. We also think of his enjoyment of gardening, photography, the countryside, and natural history: hobbies shared with Pat. John relishes gadgets—the latest GPS or camera lens—perhaps his interest in photography kindled his interest in imaging? This is our friend John Pendry, whom we have had the privilege of knowing for 40 years—may he enjoy many more years of activity, research and the rest, in the years beyond his 65th birthday! Volker Heine1 writes: What I can contribute is a bit of history about John as a research student. After his Part II in Natural Sciences, he went on to do a one-year graduate diploma in advanced theoretical physics, called Part III of the Mathematics Tripos. I was away in Chicago on my first sabbatical leave, and Leo Falicov was spending a year in Cambridge holding the fort. So I asked him was this chap (JBP) really OK and should we take him, and Leo said 'yes'. So that was that. The techniques of ultra high vacuum systems had been developed in the 1950s so that for the first time one could do experiments faster than dirt accumulated on a surface; and surface science took off. At that time before computing got into a useful stride, there were very few theoreticians around. As my professor in New Zealand expressed it to me when I said I wanted to do theory, he said there weren't any jobs in theoretical physics because it only took the Fermi's and Mott's of this world ten seconds to have an idea, and that was how it went. Indeed my first job in Cambridge was to 'demonstrate' (teach) in laboratory classes. In the 1960s it was obvious that low energy electron diffraction (LEED) would clearly be extremely important for determining surface structures if one could only understand what it was telling one. X-ray and neutron diffraction were used to determine solid structures, and so why not electron diffraction for surfaces? Electrons in the 0-100 eV range have a suitable wavelength. However they scatter extremely strongly from atomic potentials, and so the scattering pattern is much more complex than with x-rays or neutrons from bulk, where each photon or neutron is only scattered once. Well, we knew about solving the electronic structure for the conduction (valence) electrons in a solid, and so why not have a go in the LEED energy range. That was the project I suggested to John for his PhD, and it worked. The only trouble was that the calculations took forever, because one had to solve the Schrödinger equation for the whole system of vacuum plus solid together: there didn't seem to be any short cut. It was John who saw that there was a possible short cut. He is one of the few research students that I have had who did things independently that I could never have done myself. Although the forward scattering is indeed very strong, he noticed that the back scattering is much weaker, and this allowed him to develop a method of successive approximation. The material and the calculation are cut up into a series of atomic slices, and the electronic structure solved without approximation in each slice. Being two-dimensional, this was much more manageable than a full three-dimensional calculation. Then the slices could be put together by a sort of perturbation theory to calculate the scattering current as a function of energy along each of the reciprocal lattice 'rods' allowed by the surface periodicity. John didn't just stop at having solved the problem in principle, he also developed a suite of computer codes to do the job in a routine way. He even published the code for all to use, and I believe that to the present day the calculations are still done effectively in the same way. Without the calculations, one cannot interpret the data in terms of a surface atomic structure. Effectively one is doing a computer experiment in parallel to the laboratory experiment, and one fiddles more or less systematically with the surface structure until one gets agreement between the simulations and the laboratory data. One of the things that John noticed was that the process of photoemission (UPS) from a surface is rather similar, and can be calculated in an analogous way. This suddenly became very important because the new synchrotron at Daresbury was about to become operational, pumping out billions of photons for solid state research. Sam Edwards (now Sir Sam) was head of SRC (forerunner of EPSRC) at the time and recognised the problem of interpreting all the data that the machine would provide. And after UPS would come EXAFS, and after that XANES and all the rest of the alphabet soup. With that foresight, unusual at the time, John Pendry was appointed to head the theory group at Daresbury. Previously the theoreticians had revolved around the nuclear physics accelerator, and John had to turn it completely around and refocus it, which he did, ably supported and abetted by Phil Burke as head of the Theory and Computational Science Division. 1Cavendish Laboratory, J J Thomson Avenue, Cambridge CB3 0HE, UK Selected Bibliography [1] Pendry J B 1968 J. Phys. C: Solid State Phys. 1 1065-74 [2] Andersson S and Pendry J B 1972 J. Phys. C: Solid State Phys. 5 L41-5 [3] Pendry J B 1974 Low Energy Electron Diffraction (London: Academic Press) [4] Pendry J B 1980 J. Phys. C: Solid State Phys. 13 937-44 [5] Rous P J and Pendry 1989 Surf. Sci. 219 355-72 [6] Saldin D K, Pendry J B, Van Hove M A and Somorjai G A 1985 Phys. Rev. B 31 1216-8 [7] Heinz K, Saldin D K and Pendry J B 1985 Phys. Rev. Lett. 55 2312-5 [8] Lee P A and Pendry J B 1975 Phys. Rev. B 11 2795-811 [9] Pendry J B 1976 Surf. Sci. 57 679-705 [10] Pendry J B 1980 Phys. Rev. Lett. 45 1356-8 [11] Pendry J B and Gurman S J 1975 Surf. Sci. 49 87-105 [12] Echenique P M and Pendry J B 1978 J. Phys. C: Solid State Phys. 11 2065-75 [13] Slevin K M and Pendry J B 1988 J. Phys. C: Solid State Phys. 21 141-9 [14] Pendry J B and Castaño E 1988 J. Phys. C: Solid State Phys. 21 4333-55 [15] Pendry J B, MacKinnon A and Prêtre A B 1990 Physica A 168 400-7 [16] Pendry J B and Gard P 1975 J. Phys. C: Solid State Phys. 8 2048-58 [17] Ward A J and Pendry J B 1996 J. Mod. Opt. 43 773-93 [18] Tsai Y-C, Pendry J B and Shung K W-K 1999 Phys. Rev. B 59 15261-6 [19] Porto J A, García-Vidal F J and Pendry J B 1999 Phys. Rev. Lett. 83 2845-8 [20] Pendry J B 1997 J. Phys.: Condens. Matter 9 10301-20 [21] Pendry J B, Holden A J, Stewart W J and Youngs I 1996 Phys. Rev. Lett. 76 4773-6 [22] Pendry J B, Holden A J, Robbins D J and Stewart W J 1998 J. Phys.: Condens. Matter 10 4785-809 [23] Pendry J B, Holden A J, Robbins D J and Stewart W J 1999 IEEE Trans. Microw. Theory Tech. 47 2075-84 [24] Smith D R, Pendry J B and Wiltshire M C K 2004 Science 305 78-92 [25] Pendry J B 2000 Phys. Rev. Lett. 85 3966-9 [26] Wiltshire M C K, Hajnal J V, Pendry J B, Edwards D J and Stevens C J 2003 Opt. Express 11 709-15 [27] Pendry J B, Schurig D and Smith D R 2006 Science 312 1780-2 [28] Schurig D, Mock D D, Justice B J, Cummer S A, Pendry J B, Starr A F and Smith D R 2006 Science 314 977-80 Due to a typesetting error, corrections were made to p 5 of this article on 10 July 2008. The corrected electronic version is identical to the print version.

Fast Xe-129 relaxation in solid xenon near its melting point: Cross-over from Raman scattering of phonons to vacancy diffusion.

NASA Astrophysics Data System (ADS)

Kuzma, N. N.; Patton, B.; Raman, K.; Happer, W.

2002-03-01

NMR measurements of longitudinal relaxation times T1 in pure solid xenon were carried out using both natural-abundance and isotopically-enriched samples of hyperpolarized ^129Xe. At temperatures below 120 K and fields above 500 Gauss, the relaxation rate 1/T1 is field- and abundance-independent, consistent with the model of ^129Xe spin-flip Raman scattering of phonons(R. J. Fitzgerald et al.), Phys. Rev. B 59, 8795 (1999).. Above 120 K, vacancies invade the xenon lattice(P. R. Granfors et al.) Phys. Rev. B 24, 4753 (1981)., and a dramatic cross-over to the nuclear dipole-dipole relaxation due to the diffusion of vacancies is observed. As a result, the measured relaxation times of xenon near its melting point strongly depend on field and somewhat on ^129Xe abundance, and can be as short as several seconds, leading to potential difficulties in cryogenic applications of hyperpolarized ^129Xe. The data are analyzed using the theory of nuclear relaxation due to spin diffusion in cubic crystals(C. A. Sholl, J. Phys. C 21), 319 (1988)., and some estimates of the vacancy density and jump rates are discussed.

Application of various FLD modelling approaches

NASA Astrophysics Data System (ADS)

Banabic, D.; Aretz, H.; Paraianu, L.; Jurco, P.

2005-07-01

This paper focuses on a comparison between different modelling approaches to predict the forming limit diagram (FLD) for sheet metal forming under a linear strain path using the recently introduced orthotropic yield criterion BBC2003 (Banabic D et al 2005 Int. J. Plasticity 21 493-512). The FLD models considered here are a finite element based approach, the well known Marciniak-Kuczynski model, the modified maximum force criterion according to Hora et al (1996 Proc. Numisheet'96 Conf. (Dearborn/Michigan) pp 252-6), Swift's diffuse (Swift H W 1952 J. Mech. Phys. Solids 1 1-18) and Hill's classical localized necking approach (Hill R 1952 J. Mech. Phys. Solids 1 19-30). The FLD of an AA5182-O aluminium sheet alloy has been determined experimentally in order to quantify the predictive capabilities of the models mentioned above.

Comment on "Many-body localization in Ising models with random long-range interactions"

NASA Astrophysics Data System (ADS)

Maksymov, Andrii O.; Rahman, Noah; Kapit, Eliot; Burin, Alexander L.

2017-11-01

This Comment is dedicated to the investigation of many-body localization in a quantum Ising model with long-range power-law interactions r-α, relevant for a variety of systems ranging from electrons in Anderson insulators to spin excitations in chains of cold atoms. It has earlier been argued [arXiv:cond-mat/0611387 (2005); Phys. Rev. B 91, 094202 (2015), 10.1103/PhysRevB.91.094202] that this model obeys the dimensional constraint suggesting the delocalization of all finite-temperature states in the thermodynamic limit for α ≤2 d in a d -dimensional system. This expectation conflicts with the recent numerical studies of the specific interacting spin model of Li et al. [Phys. Rev. A 94, 063625 (2016), 10.1103/PhysRevA.94.063625]. To resolve this controversy we reexamine the model of Li et al. [Phys. Rev. A 94, 063625 (2016), 10.1103/PhysRevA.94.063625] and demonstrate that the infinite-temperature states there obey the dimensional constraint. The earlier developed scaling theory for the critical system size required for delocalization is extended to small exponents 0 ≤α ≤d . The disagreements between the two works are explained by the nonstandard selection of investigated states in the ordered phase in the work of Li et al. [Phys. Rev. A 94, 063625 (2016)10.1103/PhysRevA.94.063625].

Coherent Population Trapping in a Superconducting Phase Qubit

NASA Astrophysics Data System (ADS)

Kelly, William R.; Dutton, Zachary; Ohki, Thomas A.; Schlafer, John; Mookerji, Bhaskar; Kline, Jeffery S.; Pappas, David P.

2010-03-01

The phenomenon of Coherent Population Trapping (CPT) of an atom (or solid state ``artificial atom''), and the associated effect of Electromagnetically Induced Transparency (EIT), are clear demonstrations of quantum interference due to coherence in multi-level quantum systems. We report observation of CPT in a superconducting phase qubit by simultaneously driving two coherent transitions in a λ-type configuration, utilizing the three lowest lying levels of a local minimum of the phase qubit. We observe ˜60% suppression of excited state population under conditions of two-photon resonance, where EIT and CPT are expected to occur. We present data and matching theoretical simulations showing the development of CPT in time. We also used the observed time dependence of the excited state population to characterize quantum dephasing times of the system, as predicted in [1]. [1] K.V. Murali, Z. Dutton, W.D. Oliver, D.S. Crankshaw, and T.P.Orlando, Phys. Rev. Lett. 93, 087003 (2004).

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

Das, Chandan K.; Singh, Jayant K., E-mail: jayantks@iitk.ac.in

The solid-liquid coexistence of a Lennard-Jones fluid confined in slit pores of variable pore size, H, is studied using molecular dynamics simulations. Three-stage pseudo-supercritical transformation path of Grochola [J. Chem. Phys. 120(5), 2122 (2004)] and multiple histogram reweighting are employed for the confined system, for various pore sizes ranging from 20 to 5 molecular diameters, to compute the solid-liquid coexistence. The Gibbs free energy difference is evaluated using thermodynamic integration method by connecting solid-liquid phases under confinement via one or more intermediate states without any first order phase transition among them. Thermodynamic melting temperature is found to oscillate with wallmore » separation, which is in agreement with the behavior seen for kinetic melting temperature evaluated in an earlier study. However, thermodynamic melting temperature for almost all wall separations is higher than the bulk case, which is contrary to the behavior seen for the kinetic melting temperature. The oscillation founds to decay at around H = 12, and beyond that pore size dependency of the shift in melting point is well represented by the Gibbs-Thompson equation.« less

Accurate atomic data for xenon: energy levels, oscillator strengths, and electron collision cross sections

NASA Astrophysics Data System (ADS)

Bartschat, Klaus; Zatsarinny, Oleg

2009-10-01

We have applied our recently developed fully relativistic Dirac B-spline R-matrix (DBSR) code [1] to calculate the atomic structure (energy levels and oscillator strengths) as well as electron scattering from xenon atoms. Results from a 31-state close-coupling model for the excitation function of the metastable (5p^5 6s) J=0,2 states show excellent agreement with experiment [2], thereby presenting a significant improvement over the most sophisticated previous Breit-Pauli calculations [3,4]. The same model is currently being used to calculate electron-impact excitation from the metastable J=2 state. The results will be compared with recent experimental data [5] and predictions from other theoretical models [6,7]. Our dataset is an excellent basis for modeling plasma discharges containing xenon.[0pt] [1] O. Zatsarinny and K. Bartschat, Phys. Rev. A 77 (2008) 062701.[0pt] [2] S. J. Buckman et al., J. Phys. B 16 (1983) 4219.[0pt] [3] A. N. Grum-Grzhimailo and K. Bartschat, J. Phys. B 35 (2002) 3479.[0pt] [4] M. Allan et al., Phys. Rev. A 74 (2006) 030701(R).[0pt] [5] R. O. Jung et al., Phys. Rev. A 72 (2005) 022723.[0pt] [6] R. Srivastava et al., Phys. Rev. A 74 (2006) 012715.[0pt] [7] J. Jiang et al., J. Phys. B 41 (2008) 245204.

Comment on "Measurements without probabilities in the final state proposal"

NASA Astrophysics Data System (ADS)

Cohen, Eliahu; Nowakowski, Marcin

2018-04-01

The final state proposal [G. T. Horowitz and J. M. Maldacena, J. High Energy Phys. 04 (2004) 008, 10.1088/1126-6708/2004/04/008] is an attempt to relax the apparent tension between string theory and semiclassical arguments regarding the unitarity of black hole evaporation. Authors Bousso and Stanford [Phys. Rev. D 89, 044038 (2014), 10.1103/PhysRevD.89.044038] analyze thought experiments where an infalling observer first verifies the entanglement between early and late Hawking modes and then verifies the interior purification of the same Hawking particle. They claim that "probabilities for outcomes of these measurements are not defined" and therefore suggest that "the final state proposal does not offer a consistent alternative to the firewall hypothesis." We show, in contrast, that one may define all the relevant probabilities based on the so-called ABL rule [Y. Aharonov, P. G. Bergmann, and J. L. Lebowitz, Phys. Rev. 134, B1410 (1964), 10.1103/PhysRev.134.B1410], which is better suited for this task than the decoherence functional. We thus assert that the analysis of Bousso and Stanford cannot yet rule out the final state proposal.

Optical Cooling in Er3+:KPb2Cl5

DTIC Science & Technology

2009-01-01

and C. .E. Mungan, “Observation of laser- induced fluorescent cooling of a solid,” Nature 377, 500-503 (1995). 4. C. W. Hoyt, M. Sheik- Bahae , R. I ...cooling by spontaneous anti-Stokes scattering,” Phys. Rev. Lett. 46, 236-239 (1981). 3. R. I . Epstein, M. I . Buchwald, B. C. Edwards, T. R. Gosnell...2000). 5. S. R. Bowman and C. E. Mungan, “New materials for optical cooling,” Appl. Phys. B 71, 807-811 (2000). 6. R. I . Epstein, J. J. Brown, B. C

A Neutron and X-Ray Diffraction Study of Ca-Mg-Cu Metallic Glasses (Postprint)

DTIC Science & Technology

2014-04-01

North DM. Phys Chem Liq 1968;1:1. [25] Wright AC. J Non-Cryst Solids 1989;112:33. [26] Patterson AL. Z Kristallogr 1935;90:517. [27] Soper AK. J Phys...PJ, Cundall JA. Acta Cryst 1965;19:807. [31] Hannon AC. Nucl Instrum Meth A 2005;551:88. [32] Soper AK. Gudrun software, http://www.isis.stfc.ac.uk...instruments/sandals/ data-analysis/gudrun8864.html. [33] Hannon AC, Howells WS, Soper AK. IOP Conf Ser 1990;107:193. [34] Soper AK. GudrunX software

Efficient excitation of nonlinear phonons via chirped pulses: Induced structural phase transitions

NASA Astrophysics Data System (ADS)

Itin, A. P.; Katsnelson, M. I.

2018-05-01

Nonlinear phononics play important role in strong laser-solid interactions. We discuss a dynamical protocol for efficient phonon excitation, considering recent inspiring proposals: inducing ferroelectricity in paraelectric perovskites, and inducing structural deformations in cuprates [Subedi et al., Phys. Rev. B 89, 220301(R) (2014), 10.1103/PhysRevB.89.220301; Phys. Rev. B 95, 134113 (2017), 10.1103/PhysRevB.95.134113]. High-frequency phonon modes are driven by midinfrared pulses, and coupled to lower-frequency modes those indirect excitations cause structural deformations. We study in more detail the case of KTaO3 without strain, where it was not possible to excite the needed low-frequency phonon mode by resonant driving of the higher frequency one. Behavior of the system is explained using a reduced model of coupled driven nonlinear oscillators. We find a dynamical mechanism which prevents effective excitation at resonance driving. To induce ferroelectricity, we employ driving with sweeping frequency, realizing so-called capture into resonance. The method can be applied to many other related systems.

An Optimal Dissipative Encoder for the Toric Code

DTIC Science & Technology

2014-01-16

Topological quantummemory J. Math. Phys. 43 4452–505 [6] Diehl S, Micheli A, Kantian A, Kraus B, Büchler H P and Zoller P 2008 Quantum states and phases in...Diehl S, Kantian A, Micheli A and Zoller P 2008 Preparation of entangled states by quantum Markov processes Phys. Rev. A 78 042307 [12] Marvian I 2013...Information Theory (Cambridge: Cambridge University Press) [20] Wolf M and Cirac J I 2008 Dividing quantum channels Commun. Math. Phys. 279 147 11

Classical capacity of Gaussian thermal memory channels

NASA Astrophysics Data System (ADS)

De Palma, G.; Mari, A.; Giovannetti, V.

2014-10-01

The classical capacity of phase-invariant Gaussian channels has been recently determined under the assumption that such channels are memoryless. In this work we generalize this result by deriving the classical capacity of a model of quantum memory channel, in which the output states depend on the previous input states. In particular we extend the analysis of Lupo et al. [Phys. Rev. Lett. 104, 030501 (2010), 10.1103/PhysRevLett.104.030501 and Phys. Rev. A 82, 032312 (2010), 10.1103/PhysRevA.82.032312] from quantum limited channels to thermal attenuators and thermal amplifiers. Our result applies in many situations in which the physical communication channel is affected by nonzero memory and by thermal noise.

Quantum State-Resolved Reactive and Inelastic Scattering at Gas-Liquid and Gas-Solid Interfaces

NASA Astrophysics Data System (ADS)

Grütter, Monika; Nelson, Daniel J.; Nesbitt, David J.

2012-06-01

Quantum state-resolved reactive and inelastic scattering at gas-liquid and gas-solid interfaces has become a research field of considerable interest in recent years. The collision and reaction dynamics of internally cold gas beams from liquid or solid surfaces is governed by two main processes, impulsive scattering (IS), where the incident particles scatter in a few-collisions environment from the surface, and trapping-desorption (TD), where full equilibration to the surface temperature (T{TD}≈ T{s}) occurs prior to the particles' return to the gas phase. Impulsive scattering events, on the other hand, result in significant rotational, and to a lesser extent vibrational, excitation of the scattered molecules, which can be well-described by a Boltzmann-distribution at a temperature (T{IS}>>T{s}). The quantum-state resolved detection used here allows the disentanglement of the rotational, vibrational, and translational degrees of freedom of the scattered molecules. The two examples discussed are (i) reactive scattering of monoatomic fluorine from room-temperature ionic liquids (RTILs) and (ii) inelastic scattering of benzene from a heated (˜500 K) gold surface. In the former experiment, rovibrational states of the nascent HF beam are detected using direct infrared absorption spectroscopy, and in the latter, a resonace-enhanced multi-photon-ionization (REMPI) scheme is employed in combination with a velocity-map imaging (VMI) device, which allows the detection of different vibrational states of benzene excited during the scattering process. M. E. Saecker, S. T. Govoni, D. V. Kowalski, M. E. King and G. M. Nathanson Science 252, 1421, 1991. A. M. Zolot, W. W. Harper, B. G. Perkins, P. J. Dagdigian and D. J. Nesbitt J. Chem. Phys 125, 021101, 2006. J. R. Roscioli and D. J. Nesbitt Faraday Disc. 150, 471, 2011.

Slow dynamics and aging of a confined granular flow

NASA Astrophysics Data System (ADS)

Clement, Eric

2004-03-01

We present experimental results on slow flow properties of granular assemblies confined in a vertical column and driven upwards at a constant velocity V [1]. The wall roughness is much lower than the typical grain size. For monodisperse assemblies this study evidences at low velocities (1

Precise parameterization of the recombination velocity at passivated phosphorus doped surfaces

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

Kimmerle, Achim, E-mail: achim-kimmerle@gmx.de; Momtazur Rahman, Md.; Werner, Sabrina

We investigate the surface recombination velocity S{sub p} at the silicon-dielectric interface of phosphorus-doped surfaces for two industrially relevant passivation schemes for crystalline silicon solar cells. A broad range of surface dopant concentrations together with a high accuracy of evaluating the latter is achieved by incremental back-etching of the surface. The analysis of lifetime measurements and the simulation of the surface recombination consistently apply a set of well accepted models, namely, the Auger recombination by Richter et al. [Phys. Rev. B 86, 1–14 (2012)], the carrier mobility by Klaassen [Solid-State Electron. 35, 953–959 (1992); 35, 961–967 (1992)], the intrinsic carriermore » concentration for undoped silicon by Altermatt et al. [J. Appl. Phys. 93, 1598–1604 (2003)], and the band-gap narrowing by Schenk [J. Appl. Phys. 84, 3684–3695 (1998)]. The results show an increased S{sub p} at textured in respect to planar surfaces. The obtained parameterizations are applicable in modern simulation tools such as EDNA [K. R. McIntosh and P. P. Altermatt, in Proceedings of the 35th IEEE Photovoltaic Specialists Conference, Honolulu, Hawaii, USA (2010), pp. 1–6], PC1Dmod [Haug et al., Sol. Energy Mater. Sol. Cells 131, 30–36 (2014)], and Sentaurus Device [Synopsys, Sentaurus TCAD, Zürich, Switzerland] as well as in the analytical solution under the assumption of local charge neutrality by Cuevas et al. [IEEE Trans. Electron Devices 40, 1181–1183 (1993)].« less

PREFACE: Introductory remarks Introductory remarks

NASA Astrophysics Data System (ADS)

Bowler, D. R.; Alfe, D.

2010-02-01

This special issue contains papers related to the 2009 Thomas Young Centre Workshop at University College London 'Accessing large length and time scales with accurate quantum methods', in celebration of Professor Michael Gillan's 65th birthday. Mike Gillan won the 2006 Institute of Physics Dirac Medal and Prize, the citation reading: 'For his contributions to the development of atomic-scale computer simulations, which have greatly extended their power and effectiveness over an immense range of applications'. This rightly highlights Mike's seminal work on materials modelling, but misses out some of the many other areas he has enriched. After taking his PhD at the Department of Theoretical Physics, Oxford University, Mike went as a post-doc to Minneapolis. He then joined the Statistical Physics Group in the Theoretical Physics Division, Harwell, where he stayed for over 20 years, with a brief interlude in Saclay. In the late 1980s, Mike made a transition to become Professor of Physics at the University of Keele, where he stayed for a decade until University College London was fortunate in being able to tempt him to join the Condensed Matter and Material Physics Group, where there was already a significant materials modelling initiative. Over the years, Mike has made many important contributions, some with impact on other areas of science, others with significance in technology areas such as nuclear safety. Thus, he developed a form of quantum transition-state theory, generalizing Eyring's well-known classical transition-state theory to the case of quantum particles, such as hydrogen, diffusing in condensed matter. He pioneered quantum methods for calculating defect energetics in solids, and then molecular processes on surfaces. He synthesised these approaches into very general ways to calculate thermodynamic free energies of condensed matter from first principles, drawing on his early experience of statistical physics. These methods led to rapid advances in the study of matter under extreme conditions, as in the Earth's core. A further powerful development has been his input to linear-scaling quantum techniques for the properties of very large complex systems. In recent years, his attention has shifted towards increasing accuracy, touching areas such as quantum Monte Carlo and hierarchical quantum chemical techniques. In this journal issue, we have papers which both reflect topics from the workshop and address a number of areas which are directly in Mike's interests or which have been influenced by his work or assistance. There are papers addressing accuracy in quantum simulations [1-5], methods for applying quantum techniques to large systems [6, 7] and applications of quantum simulations to important problems [8-10]. We also have a viewpoint on magnetism in oxides and carbon [11], prompted by Mike's innovative work on oxides. References [1] Nolan S J, Bygrave P J, Allan N L and Manby F R 2010 J. Phys.: Condens. Matter 22 074201 [2] Badinski A, Haynes P D, Trail J R and Needs R J 2010 J. Phys.: Condens. Matter 22 074202 [3] Klimeš J, Bowler D R and Michaelides A 2010 J. Phys.: Condens. Matter 22 074203 [4] Baroni S, Gebauer R, Malcιoğlu O B, Saad Y, Umari P and Xian J 2010 J. Phys.: Condens. Matter 22 074204 [5] Toton D, Lorenz C D, Rompotis N, Martsinovich N and Kantorovich L 2010 J. Phys.: Condens. Matter 22 074205 [6] Fujiwara T, Hoshi T, Yamamoto S, Sogabe T and Zhang S-L 2010 J. Phys.: Condens. Matter 22 074206 [7] Bowler D R and Miyazari T 2010 J. Phys.: Condens. Matter 22 074207 [8] Er S, van Setten M J, de Wijs G A and Brocks G 2010 J. Phys.: Condens. Matter 22 074208 [9] Pan D, Liu L-M, Tribello G A, Slater B, Michaelides A and Wang E 2010 J. Phys.: Condens. Matter 22 074209 [10] Choudhury R, Gattinoni C, Makov G and De Vita A 2010 J. Phys.: Condens. Matter 22 074210 [11] Stoneham M 2010 J. Phys.: Condens. Matter 22 074211

Topological Order in Silicon Photonics

DTIC Science & Technology

2017-02-07

photonic edge states and quantum emitters [ S. Barik , H. Miyake, W. DeGottardi, E. Waks and M. Hafezi, New J. Phys., 18, 11301 (2016) ]. Entanglement... Barik , H. Miyake, W. DeGottardi, E. Waks, and M. Hafezi “Two-Dimensionally Confined Topological Edge States in Photonic Crystals”, New J. Phys., 18

Ground-state Properties of Inhomogeneous Graphene Sheets

NASA Astrophysics Data System (ADS)

Polini, Marco

2009-03-01

When inter-valley scattering is weak and gauge fields due to e.g. ripples are neglected, doped and gated graphene sheets can be described using an envelope-function Hamiltonian with a new sublattice pseudospin degree-of freedom, an ultrarelativistic massless-Dirac free-fermion term, a pseudospin scalar disorder potential, and a non-relativistic instantaneous Coulombic interaction term. There is considerable evidence from experiment that this simplified description of a honeycomb lattice of Carbon atoms is usually a valid starting point for theories of those observables that depend solely on the electronic properties of π-electrons near the graphene Dirac point [1]. Although the use of this model simplifies the physics considerably it still leaves us with a many-body problem without translational invariance, which we do not know how to solve. In this talk we present a Kohn-Sham-Dirac density-functional-theory (DFT) scheme for graphene sheets that treats slowly-varying inhomogeneous scalar external potentials and electron-electron interactions on an equal footing [2]. The theory is able to account for the unusual property that the exchange-correlation contribution to chemical potential increases with carrier density in graphene [3,4]. Consequences of this property, and advantages and disadvantages of using the DFT approach to describe it, are discussed. The approach is illustrated by solving the Kohn-Sham-Dirac equations self-consistently for a model random potential describing charged point-like impurities located close to the graphene plane. The influence of electron-electron interactions on these non-linear screening calculations is discussed at length, in the light of recent experiments [5,6] reporting evidence for the presence of electron-hole puddles in nearly-neutral graphene sheets. [4pt] [1] A.K. Geim and K.S. Novoselov, Nature Mater. 6, 183 (2007); A.K. Geim and A.H. MacDonald, Phys. Today 60, 35 (2007); A.H. Castro Neto, F. Guinea, N.M.R. Peres, K.S. Novoselov, and A.K. Geim, arXiv:0709.1163v2 (2007).[0pt] [2] M. Polini, A. Tomadin, R. Asgari, and A.H. MacDonald, Phys. Rev. B 78, 115426 (2008).[0pt] [3] Y. Barlas, T. Pereg-Barnea, M. Polini, R. Asgari, and A.H. MacDonald, Phys. Rev. Lett. 98, 236601 (2007); M. Polini, R. Asgari, Y. Barlas, T. Pereg-Barnea, and A.H. MacDonald, Solid State Commun. 143, 58 (2007). [0pt] [4] E.H. Hwang, B.Y.-K. Hu, and S. Das Sarma, Phys. Rev. Lett. 99, 226801 (2007).[0pt] [5] J. Martin, N. Akerman, G. Ulbricht, T. Lohmann, J.H. Smet, K. von Klitzing, and A. Yacoby, Nature Phys. 4, 144 (2008).[0pt] [6] V.W. Brar, Y. Zhang, C. Girit, F. Wang, A. Zettl, and M. Crommie, Bull. Am. Phys. Soc. 53 (2), 443 (2008).

Three-electron spin qubits

NASA Astrophysics Data System (ADS)

Russ, Maximilian; Burkard, Guido

2017-10-01

The goal of this article is to review the progress of three-electron spin qubits from their inception to the state of the art. We direct the main focus towards the exchange-only qubit (Bacon et al 2000 Phys. Rev. Lett. 85 1758-61, DiVincenzo et al 2000 Nature 408 339) and its derived versions, e.g. the resonant exchange (RX) qubit, but we also discuss other qubit implementations using three electron spins. For each three-spin qubit we describe the qubit model, the envisioned physical realization, the implementations of single-qubit operations, as well as the read-out and initialization schemes. Two-qubit gates and decoherence properties are discussed for the RX qubit and the exchange-only qubit, thereby completing the list of requirements for quantum computation for a viable candidate qubit implementation. We start by describing the full system of three electrons in a triple quantum dot, then discuss the charge-stability diagram, restricting ourselves to the relevant subsystem, introduce the qubit states, and discuss important transitions to other charge states (Russ et al 2016 Phys. Rev. B 94 165411). Introducing the various qubit implementations, we begin with the exchange-only qubit (DiVincenzo et al 2000 Nature 408 339, Laird et al 2010 Phys. Rev. B 82 075403), followed by the RX qubit (Medford et al 2013 Phys. Rev. Lett. 111 050501, Taylor et al 2013 Phys. Rev. Lett. 111 050502), the spin-charge qubit (Kyriakidis and Burkard 2007 Phys. Rev. B 75 115324), and the hybrid qubit (Shi et al 2012 Phys. Rev. Lett. 108 140503, Koh et al 2012 Phys. Rev. Lett. 109 250503, Cao et al 2016 Phys. Rev. Lett. 116 086801, Thorgrimsson et al 2016 arXiv:1611.04945). The main focus will be on the exchange-only qubit and its modification, the RX qubit, whose single-qubit operations are realized by driving the qubit at its resonant frequency in the microwave range similar to electron spin resonance. Two different types of two-qubit operations are presented for the exchange-only qubits which can be divided into short-ranged and long-ranged interactions. Both of these interaction types are expected to be necessary in a large-scale quantum computer. The short-ranged interactions use the exchange coupling by placing qubits next to each other and applying exchange-pulses (DiVincenzo et al 2000 Nature 408 339, Fong and Wandzura 2011 Quantum Inf. Comput. 11 1003, Setiawan et al 2014 Phys. Rev. B 89 085314, Zeuch et al 2014 Phys. Rev. B 90 045306, Doherty and Wardrop 2013 Phys. Rev. Lett. 111 050503, Shim and Tahan 2016 Phys. Rev. B 93 121410), while the long-ranged interactions use the photons of a superconducting microwave cavity as a mediator in order to couple two qubits over long distances (Russ and Burkard 2015 Phys. Rev. B 92 205412, Srinivasa et al 2016 Phys. Rev. B 94 205421). The nature of the three-electron qubit states each having the same total spin and total spin in z-direction (same Zeeman energy) provides a natural protection against several sources of noise (DiVincenzo et al 2000 Nature 408 339, Taylor et al 2013 Phys. Rev. Lett. 111 050502, Kempe et al 2001 Phys. Rev. A 63 042307, Russ and Burkard 2015 Phys. Rev. B 91 235411). The price to pay for this advantage is an increase in gate complexity. We also take into account the decoherence of the qubit through the influence of magnetic noise (Ladd 2012 Phys. Rev. B 86 125408, Mehl and DiVincenzo 2013 Phys. Rev. B 87 195309, Hung et al 2014 Phys. Rev. B 90 045308), in particular dephasing due to the presence of nuclear spins, as well as dephasing due to charge noise (Medford et al 2013 Phys. Rev. Lett. 111 050501, Taylor et al 2013 Phys. Rev. Lett. 111 050502, Shim and Tahan 2016 Phys. Rev. B 93 121410, Russ and Burkard 2015 Phys. Rev. B 91 235411, Fei et al 2015 Phys. Rev. B 91 205434), fluctuations of the energy levels on each dot due to noisy gate voltages or the environment. Several techniques are discussed which partly decouple the qubit from magnetic noise (Setiawan et al 2014 Phys. Rev. B 89 085314, West and Fong 2012 New J. Phys. 14 083002, Rohling and Burkard 2016 Phys. Rev. B 93 205434) while for charge noise it is shown that it is favorable to operate the qubit on the so-called ‘(double) sweet spots’ (Taylor et al 2013 Phys. Rev. Lett. 111 050502, Shim and Tahan 2016 Phys. Rev. B 93 121410, Russ and Burkard 2015 Phys. Rev. B 91 235411, Fei et al 2015 Phys. Rev. B 91 205434, Malinowski et al 2017 arXiv: 1704.01298), which are least susceptible to noise, thus providing a longer lifetime of the qubit.

Shock wave induced vaporization of porous solids

NASA Astrophysics Data System (ADS)

Shen, Andy H.; Ahrens, Thomas J.; O'Keefe, John D.

2003-05-01

Strong shock waves generated by hypervelocity impact can induce vaporization in solid materials. To pursue knowledge of the chemical species in the shock-induced vapors, one needs to design experiments that will drive the system to such thermodynamic states that sufficient vapor can be generated for investigation. It is common to use porous media to reach high entropy, vaporized states in impact experiments. We extended calculations by Ahrens [J. Appl. Phys. 43, 2443 (1972)] and Ahrens and O'Keefe [The Moon 4, 214 (1972)] to higher distentions (up to five) and improved their method with a different impedance match calculation scheme and augmented their model with recent thermodynamic and Hugoniot data of metals, minerals, and polymers. Although we reconfirmed the competing effects reported in the previous studies: (1) increase of entropy production and (2) decrease of impedance match, when impacting materials with increasing distentions, our calculations did not exhibit optimal entropy-generating distention. For different materials, very different impact velocities are needed to initiate vaporization. For aluminum at distention (m)<2.2, a minimum impact velocity of 2.7 km/s is required using tungsten projectile. For ionic solids such as NaCl at distention <2.2, 2.5 km/s is needed. For carbonate and sulfate minerals, the minimum impact velocities are much lower, ranging from less than 1 to 1.5 km/s.

High-field specific heats of A15 V3Si and Nb3Sn

NASA Astrophysics Data System (ADS)

Stewart, G. R.; Brandt, B. L.

1984-04-01

In order to further understand the anomalous behavior of the specific heat of Nb3Sn in an 18-T magnetic field discovered by Stewart, Cort, and Webb

Quantum correlations in a family of bipartite separable qubit states

NASA Astrophysics Data System (ADS)

Xie, Chuanmei; Liu, Yimin; Chen, Jianlan; Zhang, Zhanjun

2017-03-01

Quantum correlations (QCs) in some separable states have been proposed as a key resource for certain quantum communication tasks and quantum computational models without entanglement. In this paper, a family of nine-parameter separable states, obtained from arbitrary mixture of two sets of bi-qubit product pure states, is considered. QCs in these separable states are studied analytically or numerically using four QC quantifiers, i.e., measurement-induced disturbance (Luo in Phys Rev A77:022301, 2008), ameliorated MID (Girolami et al. in J Phys A Math Theor 44:352002, 2011),quantum dissonance (DN) (Modi et al. in Phys Rev Lett 104:080501, 2010), and new quantum dissonance (Rulli in Phys Rev A 84:042109, 2011), respectively. First, an inherent symmetry in the concerned separable states is revealed, that is, any nine-parameter separable states concerned in this paper can be transformed to a three-parameter kernel state via some certain local unitary operation. Then, four different QC expressions are concretely derived with the four QC quantifiers. Furthermore, some comparative studies of the QCs are presented, discussed and analyzed, and some distinct features about them are exposed. We find that, in the framework of all the four QC quantifiers, the more mixed the original two pure product states, the bigger QCs the separable states own. Our results reveal some intrinsic features of QCs in separable systems in quantum information.

Nanothermodynamics of iron clusters: Small clusters, icosahedral and fcc-cuboctahedral structures

NASA Astrophysics Data System (ADS)

Angelié, C.; Soudan, J.-M.

2017-05-01

The study of the thermodynamics and structures of iron clusters has been carried on, focusing on small clusters and initial icosahedral and fcc-cuboctahedral structures. Two combined tools are used. First, energy intervals are explored by the Monte Carlo algorithm, called σ-mapping, detailed in the work of Soudan et al. [J. Chem. Phys. 135, 144109 (2011), Paper I]. In its flat histogram version, it provides the classical density of states, gp(Ep), in terms of the potential energy of the system. Second, the iron system is described by a potential which is called "corrected EAM" (cEAM), explained in the work of Basire et al. [J. Chem. Phys. 141, 104304 (2014), Paper II]. Small clusters from 3 to 12 atoms in their ground state have been compared first with published Density Functional Theory (DFT) calculations, giving a complete agreement of geometries. The series of 13, 55, 147, and 309 atom icosahedrons is shown to be the most stable form for the cEAM potential. However, the 147 atom cluster has a special behaviour, since decreasing the energy from the liquid zone leads to the irreversible trapping of the cluster in a reproducible amorphous state, 7.38 eV higher in energy than the icosahedron. This behaviour is not observed at the higher size of 309 atoms. The heat capacity of the 55, 147, and 309 atom clusters revealed a pronounced peak in the solid zone, related to a solid-solid transition, prior to the melting peak. The corresponding series of 13, 55, and 147 atom cuboctahedrons has been compared, underscoring the unstability towards the icosahedral structure. This unstability occurs clearly in several steps for the 147 atom cluster, with a sudden transformation at a transition state. This illustrates the concerted icosahedron-cuboctahedron transformation of Buckminster Fuller-Mackay, which is calculated for the cEAM potential. Two other clusters of initial fcc structures with 24 and 38 atoms have been studied, as well as a 302 atom cluster. Each one relaxes towards a more stable structure without regularity. The 38 atom cluster exhibits a nearly glassy relaxation, through a cascade of six metastable states of long life. This behaviour, as that of the 147 atom cluster towards the amorphous state, shows that difficulties to reach ergodicity in the lower half of the solid zone are related to particular features of the potential energy landscape, and not necessarily to a too large size of the system. Comparisons of the cEAM iron system with published results about Lennard-Jones systems and DFT calculations are made. The results of the previous clusters have been combined with that of Paper II to plot the cohesive energy Ec and the melting temperature Tm in terms of the cluster atom number Nat. The Nat -1 /3 linear dependence of the melting temperature (Pawlow law) is observed again for Nat > 150. In contrast, for Nat < 150, the curve diverges strongly from the Pawlow law, giving it an overall V-shape, with a linear increase of Tm when Nat goes from 55 to 13 atoms. Surprisingly, the 38 atom cluster is anomalously below the overall curve.

Strong-field and attosecond physics in solids

DOE PAGES

Ghimire, Shambhu; Ndabashimiye, Georges; DiChiara, Anthony D.; ...

2014-10-08

We review the status of strong-field and attosecond processes in bulk transparent solids near the Keldysh tunneling limit. For high enough fields and low-frequency excitations, the optical and electronic properties of dielectrics can be transiently and reversibly modified within the applied pulse. In Ghimire et al (2011 Phys. Rev. Lett. 107 167407) non-parabolic band effects were seen in photon-assisted tunneling experiments in ZnO crystals in a strong mid-infrared field. Using the same ZnO crystals, Ghimire et al (2011 Nat. Phys. 7 138–41) reported the first observation of non-pertubative high harmonics, extending well above the bandgap into the vacuum ultraviolet. Recent experiments by Schubert et al (2014 Nat. Photonics 8 119–23) showed a carrier envelope phase dependence in the harmonic spectrum in strong-field 30 THz driven GaSe crystals which is the most direct evidence yet of the role of sub-cycle electron dynamics in solid-state harmonic generation. The harmonic generation mechanism is different from the gas phase owing to the high density and periodicity of the crystal. For example, this results in a linear dependence of the high-energy cutoff with the applied field in contrast to the quadratic dependence in the gas phase. Sub-100 attosecond pulses could become possible if the harmonic spectrum can be extended into the extreme ultraviolet (XUV). Here we report harmonics generated in bulk MgO crystals, extending tomore » $$\\sim 26$$ eV when driven by ~35 fs, 800 nm pulses focused to a ~1 VÅ$$^{-1}$$ peak field. The fundamental strong-field and attosecond response also leads to Wannier–Stark localization and reversible semimetallization as seen in the sub-optical cycle behavior of XUV absorption and photocurrent experiments on fused silica by Schiffrin et al (2013 Nature 493 70–4) and Schultze et al (2013 Nature 493 75–8). These studies are advancing our understanding of fundamental strong-field and attosecond physics in solids with potential applications for compact coherent short-wavelength sources and ultra-high speed optoelectronics.« less

FRAUD/SABOTAGE Killing Nuclear-Reactors Need Modeling!!!: "Super"alloys GENERIC ENDEMIC Wigner's-Disease/.../IN-stability: Ethics? SHMETHICS!!!

NASA Astrophysics Data System (ADS)

Asphahani, Aziz; Siegel, Sidney; Siegel, Edward

2010-03-01

Carbides solid-state chemistry domination of old/new nuclear- reactors/spent-fuel-casks/refineries/jet/missile/rocket-engines in austenitic/FCC Ni/Fe-based(so miscalled)``super"alloys(182/82; Hastelloy-X,600,304/304L-SSs,...,690!!!) GENERIC ENDEMIC EXTANT detrimental(synonyms): Wigner's-diseas(WD)[J.Appl.Phys.17,857 (1946)]/Ostwald-ripening/spinodal-decomposition/overageing- embrittlement/thermal-leading-to-mechanical(TLTM)-INstability: Mayo[Google:``If Leaks Could Kill"; at flickr.com search on ``Giant-Magnotoresistance"; find: Siegel[J.Mag.Mag.Mtls.7,312 (1978)]<<<``Fert"-"Gruenberg"(1988/89)2007-physics Nobel/Wolf/ Japan-prizes]necessitating NRC-inspections of 40+25 = 65 Westin- ``KLouse PWRs(12/2006)]-Lai[Met.Trans.AIME,9A,827(1978)]-Sabol- Stickler[Phys.Stat.Sol.(1970)]-Ashpahani[Intl.Conf. H in Metals, Paris(1977]-Russell[Prog.Mtls.Sci.(1983)]-Pollard[last UCS rept. (9/1995)]-Lofaro[BNL/DOE/NRC Repts.]-Pringle[Nuclear-Power:From Physics to Politics(1979)]-Hoffman[animatedsoftware.com], what DOE/NRC MISlabels as ``butt-welds" ``stress-corrosion cracking" endpoint's ROOT-CAUSE ULTIMATE-ORIGIN is WD overageing-embritt- lement caused brittle-fracture cracking from early/ongoing AEC/ DOE-n"u"tional-la"v"atories sabotage!!!

FRAUD/SABOTAGE Killing Nuclear-Reactors Need Modeling!!!: ``Super'' alloys GENERIC ENDEMIC Wigner's-Disease/.../IN-stability: Ethics? SHMETHICS!!!

NASA Astrophysics Data System (ADS)

O'Grady, Joseph; Bument, Arlden; Siegel, Edward

2011-03-01

Carbides solid-state chemistry domination of old/new nuclear-reactors/spent-fuel-casks/refineries/jet/missile/rocket-engines is austenitic/FCC Ni/Fe-based (so miscalled)"super"alloys(182/82;Hastelloy-X,600,304/304L-SSs,...690!!!) GENERIC ENDEMIC EXTANT detrimental(synonyms): Wigner's-disease(WD) [J.Appl.Phys.17,857 (46)]/Ostwald-ripening/spinodal-decomposition/overageing-embrittlement/thermal-leading-to-mechanical(TLTM)-INstability: Mayo[Google: fLeaksCouldKill > ; - Siegel [ J . Mag . Mag . Mtls . 7 , 312 (78) = atflickr . comsearchonGiant - Magnotoresistance [Fert" [PRL(1988)]-"Gruenberg"[PRL(1989)] 2007-Nobel]necessitating NRC inspections on 40+25=65 Westin"KL"ouse PWRs(12/2006)]-Lai [Met.Trans.AIME, 9A,827(78)]-Sabol-Stickler[Phys.Stat.Sol.(70)]-Ashpahani[ Intl.Conf. Hydrogen in Metals, Paris(1977]-Russell [Prog.Mtls.Sci.(1983)]-Pollard [last UCS rept.(9/1995)]-Lofaro [BNL/DOE/NRC Repts.]-Pringle [ Nuclear-Power:From Physics to Politics(1979)]-Hoffman [animatedsoftware.com], what DOE/NRC MISlabels as "butt-welds" "stress-corrosion cracking" endpoint's ROOT-CAUSE ULTIMATE-ORIGIN is WD overageing-embrittlement caused brittle-fracture cracking from early/ongoing AEC/DOE-n"u"tional-la"v"atories sabotage!!!

First-Principles Calculations of Lattice Dynamics in La_2CuO_4

NASA Astrophysics Data System (ADS)

Wang, C.-Z.; Yu, Rici; Krakauer, Henry

1998-03-01

To investigate wavevector-dependent lattice vibrational properties of the high-temperature cuprate superconductor La_2-xSr_xCuO_4, we have performed first principles calculations for tetragonal I4/mmm La_2CuO_4, using the linear response LAPW method(R. Yu and H. Krakauer, Phys. Rev. B 49), 4467 (1994). Phonon frequencies and polarization vectors are obtained throughout the Brillouin zone. Generally good agreement is obtained with experiment, but we underestimate the frequencies of the low lying modes, which involve either motions of the apical oxygen atoms parallel to the CuO2 planes or motions of the plane O atoms along the c-axis. The discrepancy may be due to anharmonic coupling of these modes(R. Cohen, W. Pickett, and H. Krakauer, Phys. Rev. Lett. 62), 831 (1989)^,(D. J. Singh, Solid State Commun. 98), 575 (1996). The X point tilt phonon mode is found to be the most unstable mode, consistent with previous frozen phonon calculations^3 and the observed phase transition to the orthorhombic structure at low temperature. The results will be discussed in comparison with previous calculations^3,4 and experiment.

Spontaneous emission in dielectric nanoparticles

NASA Astrophysics Data System (ADS)

Pukhov, K. K.; Basiev, T. T.; Orlovskii, Yu. V.

2008-09-01

An analytical expression is obtained for the radiative-decay rate of an excited optical center in an ellipsoidal dielectric nanoparticle (with sizes much less than the wavelength) surrounded by a dielectric medium. It is found that the ratio of the decay rate A nano of an excited optical center in the nanoparticle to the decay rate A bulk of an excited optical center in the bulk sample is independent of the local-field correction and, therefore, of the adopted local-field model. Moreover, the expression implies that the ratio A nano/ A bulk for oblate and prolate ellipsoids depends strongly on the orientation of the dipole moment of the transition with respect to the ellipsoid axes. In the case of spherical nanoparticles, a formula relating the decay rate A nano and the dielectric parameters of the nanocomposite and the volumetric content c of these particles in the nanocomposite is derived. This formula reduces to a known expression for spherical nanoparticles in the limit c ≪ 1, while the ratio A nano/ A bulk approaches unity as c tends to unity. The analysis shows that the approach used in a number of papers {H. P. Christensen, D. R. Gabbe, and H. P. Jenssen, Phys. Rev. B 25, 1467 (1982); R. S. Meltzer, S. P. Feofilov, B. Tissue, and H. B. Yuan, Phys. Rev. B 60, R14012 (1999); R. I. Zakharchenya, A. A. Kaplyanskii, A. B. Kulinkin, et al., Fiz. Tverd. Tela 45, 2104 (2003) [Phys. Solid State 45, 2209 (2003)]; G. Manoj Kumar, D. Narayana Rao, and G. S. Agarwal, Phys. Rev. Lett. 91, 203903 (2003); Chang-Kui Duan, Michael F. Reid, and Zhongqing Wang, Phys. Lett. A 343, 474 (2005); K. Dolgaleva, R. W. Boyd, and P. W. Milonni, J. Opt. Soc. Am. B 24, 516 (2007)}, for which the formula for A nano is derived merely by substituting the bulk refractive index by the effective refractive index of the nanocomposite must be revised, because the resulting ratio A nano/ A bulk turns out to depend on the local-field model. The formulas for the emission and absorption cross sections σnano for nanoparticles are derived. It is shown that the ratios σnano/σbulk and A nano/ A bulk are not equal in general, which can be used to improve the lasing parameters. The experimentally determined and theoretically evaluated decay times of metastable states of dopant rare-earth ions in crystalline YAG and Y2O3 nanoparticles are compared with the corresponding values for bulk crystals of the same structure.

A study of the turn-up effect in the electron momentum spectroscopy

NASA Astrophysics Data System (ADS)

Dal Cappello, C.; Menas, F.; Houamer, S.; Popov, Yu V.; Roy, A. C.

2015-10-01

Recently, a number of electron momentum spectroscopy measurements for the ionization of atoms and molecules have shown that the triple differential cross section (TDCS) has an unexpected higher intensity in a low momentum regime (Brunger M J, Braidwood S W, Mc Carthy I E and Weigold E 1994 J. Phys. B: At. Mol. Opt. Phys. 27 L597, Hollebone B P, Neville J J, Zheng Y, Brion C E, Wang Y and Davidson E R 1995 Chem. Phys. 196 13, Brion C E, Zheng Y, Rolke J, Neville J J, McCarthy I E and Wang J 1998 J. Phys. B: At. Mol. Opt. Phys. 31 L223, Ren X G, Ning C G, Deng J K, Zhang S F, Su G L, Huang F and Li G Q 2005 Phys. Rev. Lett. 94 163201, Deng J K, et al 2001 J. Chem. Phys. 114 882, Ning C G, Ren X G, Deng J K, Su G L, Zhang S F and Li G Q 2006 Phys. Rev. A 73 022704). This surprising result is now called the turn-up effect. Our aim is to investigate such an effect by studying the case of the ionization of atomic hydrogen in an excited state using the 3C model (Brauner M, Briggs J S and Klar H 1989 J. Phys. B: At. Mol. Opt. Phys. 22 2265) which is able to describe all the measured results of the single ionization of atomic hydrogen in its ground state for an incident energy beyond 200 eV. A comparison is also made of the findings of the present method with those of the plane wave impulse approximation and distorted wave models.

Profile modifications in laser-driven temperature fronts using flux-limiters and delocalization models

NASA Astrophysics Data System (ADS)

Colombant, Denis; Manheimer, Wallace; Busquet, Michel

2004-11-01

A simple steady-state model using flux-limiters by Day et al [1] showed that temperature profiles could formally be double-valued. Stability of temperature profiles in laser-driven temperature fronts using delocalization models was also discussed by Prasad and Kershaw [2]. We have observed steepening of the front and flattening of the maximum temperature in laser-driven implosions [3]. Following the simple model first proposed in [1], we solve for a two-boundary value steady-state heat flow problem for various non-local heat transport models. For the more complicated models [4,5], we obtain the steady-state solution as the asymptotic limit of the time-dependent solution. Solutions will be shown and compared for these various models. 1.M.Day, B.Merriman, F.Najmabadi and R.W.Conn, Contrib. Plasma Phys. 36, 419 (1996) 2.M.K.Prasad and D.S.Kershaw, Phys. Fluids B3, 3087 (1991) 3.D.Colombant, W.Manheimer and M.Busquet, Bull. Amer. Phys. Soc. 48, 326 (2003) 4.E.M.Epperlein and R.W.Short, Phys. Fluids B3, 3092 (1991) 5.W.Manheimer and D.Colombant, Phys. Plasmas 11, 260 (2004)

Fifty years of Jaynes-Cummings physics

NASA Astrophysics Data System (ADS)

Greentree, Andrew D.; Koch, Jens; Larson, Jonas

2013-11-01

This special issue commemorates the 50th anniversary of the seminal paper published by E T Jaynes and F W Cummings [1], the fundamental model which they introduced and now carries their names, and celebrates the remarkable host of exciting research on Jaynes-Cummings physics throughout the last five decades. The Jaynes-Cummings model has been taking the prominent stance as the 'hydrogen atom of quantum optics' [2]. Generally speaking, it provides a fundamental quantum description of the simplest form of coherent radiation-matter interaction. The Jaynes-Cummings model describes the interaction between a single electromagnetic mode confined to a cavity, and a two-level atom. Energy is exchanged between the field and the atom, which leads directly to coherent population oscillations (Rabi oscillations) and superposition states (dressed states). Being exactly solvable, the Jaynes-Cummings model serves as a most useful toy model, and as such it is a textbook example of the physicists' popular strategy of simplifying a complex problem to its most elementary constituents. Thanks to the simplicity of the Jaynes-Cummings model, this caricature of coherent light-matter interactions has never lost its appeal. The Jaynes-Cummings model is essential when discussing experiments in quantum electrodynamics (indeed the experimental motivation of the Jaynes-Cummings model was evident already in the original paper, dealing as it does with the development of the maser), and it has formed the starting point for much fruitful research ranging from ultra-cold atoms to cavity quantum electrodynamics. In fact, Jaynes-Cummings physics is at the very heart of the beautiful experiments by S Haroche and D Wineland, which recently earned them the 2012 Nobel Prize in physics. Indeed, as with most significant models in physics, the model is invoked in settings that go far beyond its initial framework. For example, recent investigations involving multi-level atoms, multiple atoms [3, 4], multiple electromagnetic modes, arrays of coupled cavities [5-7], and optomechanical systems [8] have further enriched the physics of the Jaynes-Cummings model. From the early interests in masers and the consistent quantum description of radiation and atom-photon interaction, the Jaynes-Cummings model has evolved into a cornerstone of quantum state engineering [9]. The authors of this editorial had not been born when Jaynes and Cummings wrote their remarkable paper. It is, therefore, a special honour for us to be able to draw the reader's attention to the accompanying reminiscence contributed by Frederick Cummings where he gives us a glimpse of the early history of the Jaynes-Cummings model from his perspective [11]. By now, the original 1963 paper by Jaynes and Cummings has gathered numerous citations and, at the time of writing, the number of articles involving Jaynes-Cummings physics is approaching 15 000.1 This special issue does not attempt to review this impressive wealth of research. The interested reader, however, is urged to consult the definitive article by Shore and Knight [10] for a comprehensive review of the first 30 years of Jaynes-Cummings physics. The collection of 26 papers presented in this issue, showcases a snapshot of some of the most recent and continuing research devoted to Jaynes-Cummings physics. We begin our special issue with Professor Cumming's recollections [11]. We then have six papers on quantum information aspects of the Jaynes-Cummings model [12-17]. The next topic includes seven papers on the Dicke and generalized Jaynes-Cummings models [18-24], followed by six papers on circuit QED, which is one of the most important experimental frameworks for Jaynes-Cummings systems [25-30]. Finally, we have six papers on the extension to many cavities, the Jaynes-Cummings-Hubbard model [31-36]. The snapshot of research captured in this special issue illustrates the unifying language provided by the Jaynes-Cummings model, tying together research in a number of subfields in physics. Jaynes-Cummings physics started with the diagonalization of a 2 × 2 matrix, as Frederick Cummings points out. There is no doubt that this elegance of simplicity will continue to guide exciting new research in the decades to come. References [1] Jaynes E T and Cummings F W 1963 Comparison of quantum and semiclassical radiation theories with application to the beam maser Proc. IEEE 51 89 [2] Shore B W and Knight P L 2004 Physics and Probability: Essays in Honor of Edwin T Jaynes (Cambridge: Cambridge University Press) [3] Tavis M and Cummings F W 1968 Exact solution for an N -molecule-radiation-field Hamiltonian Phys. Rev. 170 379-84 [4] Tavis M and Cummings F W 1969 Approximate solutions for an N -molecule-radiation-field Hamiltonian Phys. Rev. 188 692-5 [5] Hartmann M J, Brandão F G S L and Plenio M B 2006 Strongly interacting polaritons in coupled arrays of cavities Nature Phys. 2 849-55 [6] Greentree A D, Tahan C, Cole J H and Hollenberg L C L 2006 Quantum phase transitions of light Nature Phys. 2 856-61 [7] Angelakis D G, Santos M F and Bose S 2007 Photon-blockade-induced Mott transitions and XY spin models in coupled cavity arrays Phys. Rev. A 76 031805(R) [8] Schwab K C and Roukes M L 2005 Putting mechanics into quantum mechanics Phys. Today 58 36-42 [9] Blatt R, Milburn G J and Lvovksy A 2013 The 20th anniversary of quantum state engineering J. Phys. B: At. Mol. Opt. Phys. 46 100201 [10] Shore B and Knight P L 1993 The Jaynes-Cummings model J. Mod. Opt. 40 1195-238 [11] Cummings F W 2013 J. Phys. B: At. Mol. Opt. Phys. 46 220202 [12] Arenz C 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224001 [13] Quesada N 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224002 [14] Everitt M 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224003 [15] Kitajima S 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224004 [16] Groves E 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224005 [17] Bougouffa S 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224006 [18] Braak D 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224007 [19] Emary C 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224008 [20] Miroshnychenko Y 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224009 [21] Dombi A 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224010 [22] Tavis M 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224011 [23] Grimsmo A 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224012 [24] Stenholm S I 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224013 [25] Kockum A F 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224014 [26] Larson J 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224015 [27] Larson J 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224016 [28] Agarwal S 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224017 [29] Deng W-W 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224018 [30] Leppaekangas J 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224019 [31] Schmidt S 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224020 [32] Schiro M 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224021 [33] Susa C 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224022 [34] del Valle E 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224023 [35] Correa B V 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224024 [36] Schetakis N 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224025 1Number estimate based on a Google Scholar search.

A Charged Particle in a Magnetic Field: A Review of Two Formalisms of Coherent States and the Husimi Function

ERIC Educational Resources Information Center

Herrera, D.; Valencia, A. M.; Pennini, F.; Curilef, S.

2008-01-01

In this work, we review two formalisms of coherent states for the case of a particle in a magnetic field. We focus our revision on both pioneering (Feldman and Kahn 1970 "Phys. Rev." B 1 4584) and recent (Kowalski and Rembielinski 2005 "J. Phys. A: Math. Gen." 38 8247) formulations of coherent states for this problem. We introduce a general…

Electron-impact excitation of Rydberg and valence electronic states of nitric oxide: II. Integral cross sections

NASA Astrophysics Data System (ADS)

Brunger, M. J.; Campbell, L.; Cartwright, D. C.; Middleton, A. G.; Mojarrabi, B.; Teubner, P. J. O.

2000-02-01

Integral cross sections (ICSs) for the excitation of 18 excited electronic states, and four composite excited electronic states, in nitric oxide (NO) have been determined for incident electron energies of 15, 20, 30, 40 and 50 eV. These ICSs were derived by extrapolating the respective measured differential cross sections (M J Brunger et al 2000 J. Phys. B: At. Mol. Opt. Phys. 33 783) to 0° and 180° and by performing the appropriate integration. Comparison of the present ICSs with the results of those determined in earlier optical emission measurements, and from theoretical calculations is made. At each incident energy considered, the current ICSs are also summed along with the corresponding elastic and rovibrational excitation ICSs from B Mojarrabi et al (1995 J. Phys. B: At. Mol. Opt. Phys. 28 487) and the ionization cross sections from Rapp and Englander-Golden (1965 J. Chem. Phys. 43 1464), to derive an estimate of the grand total cross sections (GTSs) for e- + NO scattering. The GTSs derived in this manner are compared with the results from independent linear transmission experiments and are found to be entirely consistent with them. The present excited electronic state ICS, and those for elastic and rovibrational excitation from Mojarrabi et al , appear to represent the first set of self-consistent cross sections for electron impact scattering from NO.

Isolation of Coherent Synchrotron Emission During Relativistic Laser Plasma Interactions

NASA Astrophysics Data System (ADS)

Dromey, B.; Rykovanov, S. G.; Lewis, C. L. S.; Zepf, M.

Coherent Synchrotron Emission (CSE) from relativistic laser plasmas (Pukhov et al., Plas Phys Control Fusion 52:124039, 2010; Dromey et al., Nat Phys 8:804-808, 2012; Dromey et al., New J Phys 15:015025, 2013) has recently been identified as a unique platform for the generation of coherent extreme ultraviolet (XUV) and X-Ray radiation with clear potential for bright attosecond pulse production. Exploiting this potential requires careful selection of interaction geometry, spectral wavelength range and target characteristics to allow the generation of high fidelity single attosecond pulses. In the laboratory the first step on this road is to study the individual mechanisms driving the emission of coherent extreme ultraviolet and X-Ray radiation during laser solid interactions in isolation. Here we show how interactions can be tailored to permit the unambiguous observation of coherent synchrotron emission (CSE) and the implications of this geometry for the resulting harmonic spectrum over the duration of the interaction.

Nonequilibrium dynamical mean-field theory

NASA Astrophysics Data System (ADS)

Freericks, James

2007-03-01

Dynamical mean-field theory (DMFT) is establishing itself as one of the most powerful approaches to the quantum many-body problem in strongly correlated electron materials. Recently, the formalism has been generalized to study nonequilibrium problems [1,2], such as the evolution of Bloch oscillations in a material that changes from a diffusive metal to a Mott insulator [2,3]. Using a real-time formalism on the Kadanoff-Baym-Keldysh contour, the DMFT algorithm can be generalized to the case of systems that are not time-translation invariant. The computational algorithm has a parallel implementation with essentially a linear scale up when running on thousands of processors. Results on the decay of Bloch oscillations, their change of character within the Mott insulator, and movies on how electrons redistribute themselves due to their response to an external electrical field will be presented. In addition to solid-state applications, this work also applies to the behavior of mixtures of light and heavy cold atoms in optical lattices. [1] V. M. Turkowski and J. K. Freericks, Spectral moment sum rules for strongly correlated electrons in time-dependent electric fields, Phys. Rev. B 075108 (2006); Erratum, Phys. Rev. B 73, 209902(E) (2006). [2] J. K. Freericks, V. M. Turkowski , and V. Zlati'c, Nonlinear response of strongly correlated materials to large electric fields, in Proceedings of the HPCMP Users Group Conference 2006, Denver, CO, June 26--29, 2006 edited by D. E. Post (IEEE Computer Society, Los Alamitos, CA, 2006), to appear. [3] J. K. Freericks, V. M. Turkowski, and V. Zlati'c, Nonequilibrium dynamical mean-field theory, submitted to Phys. Rev. Lett. cond-mat//0607053.

Contact mechanics for poroelastic, fluid-filled media, with application to cartilage.

PubMed

Persson, B N J

2016-12-21

I study a simple contact mechanics model for a poroelastic, fluid-filled solid squeezed against a rigid, randomly rough substrate. I study how the fluid is squeezed out from the interface, and how the area of contact, and the average interfacial separation, change with time. I present numerical results relevant for a human cartilage. I show that for a fluid filled poroelastic solid the probability of cavitation (and the related wear as the cavities implode), and dynamical scraping (defined below and in Hutt and Persson, J. Chem. Phys. 144, 124903 (2016)), may be suppressed by fluid flow from the poroelastic solid into the (roughness induced) interfacial gap between the solids.

Contact mechanics for poroelastic, fluid-filled media, with application to cartilage

NASA Astrophysics Data System (ADS)

Persson, B. N. J.

2016-12-01

I study a simple contact mechanics model for a poroelastic, fluid-filled solid squeezed against a rigid, randomly rough substrate. I study how the fluid is squeezed out from the interface, and how the area of contact, and the average interfacial separation, change with time. I present numerical results relevant for a human cartilage. I show that for a fluid filled poroelastic solid the probability of cavitation (and the related wear as the cavities implode), and dynamical scraping (defined below and in Hutt and Persson, J. Chem. Phys. 144, 124903 (2016)), may be suppressed by fluid flow from the poroelastic solid into the (roughness induced) interfacial gap between the solids.

A novel semi-quantum secret sharing scheme based on Bell states

NASA Astrophysics Data System (ADS)

Yin, Aihan; Wang, Zefan; Fu, Fangbo

2017-05-01

A semi-quantum secret sharing (SQSS) scheme based on Bell states is proposed in this paper. The sender who can perform any relevant quantum operations uses Bell states to share the secret keys with her participants that are limited to perform classical operations on the transmitted qubits. It is found that our scheme is easy to generalize from three parties to multiparty and more efficient than the previous schemes [Q. Li, W. H. Chan and D. Y. Long, Phys. Rev. A 82 (2010) 022303; L. Z. Li, D. W. Qiu and P. Mateus, J. Phys. A: Math. Theor. 26 (2013) 045304; C. Xie, L. Z. Li and D. W. Qiu, Int. J. Theor. Phys. 54 (2015) 3819].

Teleportation of squeezing: Optimization using non-Gaussian resources

NASA Astrophysics Data System (ADS)

Dell'Anno, Fabio; de Siena, Silvio; Adesso, Gerardo; Illuminati, Fabrizio

2010-12-01

We study the continuous-variable quantum teleportation of states, statistical moments of observables, and scale parameters such as squeezing. We investigate the problem both in ideal and imperfect Vaidman-Braunstein-Kimble protocol setups. We show how the teleportation fidelity is maximized and the difference between output and input variances is minimized by using suitably optimized entangled resources. Specifically, we consider the teleportation of coherent squeezed states, exploiting squeezed Bell states as entangled resources. This class of non-Gaussian states, introduced by Illuminati and co-workers [F. Dell’Anno, S. De Siena, L. Albano, and F. Illuminati, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.76.022301 76, 022301 (2007); F. Dell’Anno, S. De Siena, and F. Illuminati, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.81.012333 81, 012333 (2010)], includes photon-added and photon-subtracted squeezed states as special cases. At variance with the case of entangled Gaussian resources, the use of entangled non-Gaussian squeezed Bell resources allows one to choose different optimization procedures that lead to inequivalent results. Performing two independent optimization procedures, one can either maximize the state teleportation fidelity, or minimize the difference between input and output quadrature variances. The two different procedures are compared depending on the degrees of displacement and squeezing of the input states and on the working conditions in ideal and nonideal setups.

Reactive Removal of BiF Ground State

DTIC Science & Technology

1990-09-28

1978). 3. W E. Jones and T D. McLean, J. Mol. Spectrosc. 90, 481 (1981). 4. R. E Heidner, H . Helvajian , J. S. Holloway, and J. B. Koffend, J. Chem...Phys. 84, 2137 (1986). 5. C. R. Jones and H . P. Broida, J. Chem. Phys. 60, 4369 (1974). 6. H . Helvajian , J. S. Holloway, and J. B. Koffend, J. Chem...Phys. Rev. A6, 631 (1972). 27. H . Hotop and W C. Lineberger, J. Phys. Chem. Ref. Data 4, 539 (1985). 28. J.M. Herbelin, Conf. Proc., Intl. Gonf. on

Families of quantum fingerprinting protocols

NASA Astrophysics Data System (ADS)

Lovitz, Benjamin; Lütkenhaus, Norbert

2018-03-01

We introduce several families of quantum fingerprinting protocols to evaluate the equality function on two n -bit strings in the simultaneous message passing model. The original quantum fingerprinting protocol uses a tensor product of a small number of O (logn ) -qubit high-dimensional signals [H. Buhrman et al., Phys. Rev. Lett. 87, 167902 (2001), 10.1103/PhysRevLett.87.167902], whereas a recently proposed optical protocol uses a tensor product of O (n ) single-qubit signals, while maintaining the O (logn ) information leakage of the original protocol [J. M. Arazola and N. Lütkenhaus, Phys. Rev. A 89, 062305 (2014), 10.1103/PhysRevA.89.062305]. We find a family of protocols which interpolate between the original and optical protocols while maintaining the O (logn ) information leakage, thus demonstrating a tradeoff between the number of signals sent and the dimension of each signal. There has been interest in experimental realization of the recently proposed optical protocol using coherent states [F. Xu et al., Nat. Commun. 6, 8735 (2015), 10.1038/ncomms9735; J.-Y. Guan et al., Phys. Rev. Lett. 116, 240502 (2016), 10.1103/PhysRevLett.116.240502], but as the required number of laser pulses grows linearly with the input size n , eventual challenges for the long-time stability of experimental setups arise. We find a coherent state protocol which reduces the number of signals by a factor 1/2 while also reducing the information leakage. Our reduction makes use of a simple modulation scheme in optical phase space, and we find that more complex modulation schemes are not advantageous. Using a similar technique, we improve a recently proposed coherent state protocol for evaluating the Euclidean distance between two real unit vectors [N. Kumar et al., Phys. Rev. A 95, 032337 (2017), 10.1103/PhysRevA.95.032337] by reducing the number of signals by a factor 1/2 and also reducing the information leakage.

Experimental entanglement distillation of two-qubit mixed states under local operations.

PubMed

Wang, Zhi-Wei; Zhou, Xiang-Fa; Huang, Yun-Feng; Zhang, Yong-Sheng; Ren, Xi-Feng; Guo, Guang-Can

2006-06-09

We experimentally demonstrate optimal entanglement distillation from two forms of two-qubit mixed states under local filtering operations according to the constructive method introduced by [F. Verstraete, Phys. Rev. A 64, 010101(R) (2001)10.1103/PhysRevA.64.010101]. In principle, our setup can be easily applied to distilling entanglement from arbitrary two-qubit partially mixed states. We also test the violation of the Clauser-Horne-Shinmony-Holt inequality for the distilled state from the first form of mixed state to show its "hidden nonlocality."

On the Runge-Lenz-Pauli vector operator as an aid to the calculation of atomic processes in laboratory and astrophysical plasmas

NASA Astrophysics Data System (ADS)

Hey, J. D.

2015-09-01

On the basis of the original definition and analysis of the vector operator by Pauli (1926 Z. Phys. 36 336-63), and further developments by Flamand (1966 J. Math. Phys. 7 1924-31), and by Becker and Bleuler (1976 Z. Naturforsch. 31a 517-23), we consider the action of the operator on both spherical polar and parabolic basis state wave functions, both with and without direct use of Pauli’s identity (Valent 2003 Am. J. Phys. 71 171-75). Comparison of the results, with the aid of two earlier papers (Hey 2006 J. Phys. B: At. Mol. Opt. Phys. 39 2641-64, Hey 2007 J. Phys. B: At. Mol. Opt. Phys. 40 4077-96), yields a convenient ladder technique in the form of a recurrence relation for calculating the transformation coefficients between the two sets of basis states, without explicit use of generalized hypergeometric functions. This result is therefore very useful for application to Stark effect and impact broadening calculations applied to high-n radio recombination lines from tenuous space plasmas. We also demonstrate the versatility of the Runge-Lenz-Pauli vector operator as a means of obtaining recurrence relations between expectation values of successive powers of quantum mechanical operators, by using it to provide, as an example, a derivation of the Kramers-Pasternack relation. It is suggested that this operator, whose potential use in Stark- and Zeeman-effect calculations for magnetically confined fusion edge plasmas (Rosato, Marandet and Stamm 2014 J. Phys. B: At. Mol. Opt. Phys. 47 105702) and tenuous space plasmas ( H II regions) has not been fully explored and exploited, may yet be found to yield a number of valuable results for applications to plasma diagnostic techniques based upon rate calculations of atomic processes.

Heterogeneous ice nucleation and phase transition of viscous α-pinene secondary organic aerosol

NASA Astrophysics Data System (ADS)

Ignatius, Karoliina; Kristensen, Thomas B.; Järvinen, Emma; Nichman, Leonid; Fuchs, Claudia; Gordon, Hamish; Herenz, Paul; Hoyle, Christopher R.; Duplissy, Jonathan; Baltensperger, Urs; Curtius, Joachim; Donahue, Neil M.; Gallagher, Martin W.; Kirkby, Jasper; Kulmala, Markku; Möhler, Ottmar; Saathoff, Harald; Schnaiter, Martin; Virtanen, Annele; Stratmann, Frank

2016-04-01

There are strong indications that particles containing secondary organic aerosol (SOA) exhibit amorphous solid or semi-solid phase states in the atmosphere. This may facilitate deposition ice nucleation and thus influence cirrus cloud properties. Global model simulations of monoterpene SOA particles suggest that viscous biogenic SOA are indeed present in regions where cirrus cloud formation takes place. Hence, they could make up an important contribution to the global ice nucleating particle (INP) budget. However, experimental ice nucleation studies of biogenic SOA are scarce. Here, we investigated the ice nucleation ability of viscous SOA particles at the CLOUD (Cosmics Leaving OUtdoor Droplets) experiment at CERN (Ignatius et al., 2015, Järvinen et al., 2015). In the CLOUD chamber, the SOA particles were produced from the ozone initiated oxidation of α-pinene at temperatures in the range from -38 to -10° C at 5-15 % relative humidity with respect to water (RHw) to ensure their formation in a highly viscous phase state, i.e. semi-solid or glassy. We found that particles formed and grown in the chamber developed an asymmetric shape through coagulation. As the RHw was increased to between 35 % at -10° C and 80 % at -38° C, a transition to spherical shape was observed with a new in-situ optical method. This transition confirms previous modelling of the viscosity transition conditions. The ice nucleation ability of SOA particles was investigated with a new continuous flow diffusion chamber SPIN (Spectrometer for Ice Nuclei) for different SOA particle sizes. For the first time, we observed heterogeneous ice nucleation of viscous α-pinene SOA in the deposition mode for ice saturation ratios between 1.3 and 1.4, significantly below the homogeneous freezing limit. The maximum frozen fractions found at temperatures between -36.5 and -38.3° C ranged from 6 to 20 % and did not depend on the particle surface area. References Ignatius, K. et al., Heterogeneous ice nucleation of secondary organic aerosol produced from ozonolysis of α-pinene, Atmos. Chem. Phys. Discuss., 15, 35719-35752, doi:10.5194/acpd-15-35719-2015, 2015. Järvinen, E. et al., Observation of viscosity transition in α-pinene secondary organic aerosol, Atmos. Chem. Phys. Discuss., 15, 28575-28617, doi:10.5194/acpd-15-28575-2015, 2015.

Watching Conformations of Biomolecules: a Microwave Spectroscopy Approach

NASA Astrophysics Data System (ADS)

Lopez, J. C.

2011-06-01

The combination of laser ablation with Fourier transform microwave spectroscopy in supersonic jets (LA-MB-FTMW) has made possible the gas-phase study of solid biomolecules with high melting points. In the experiment, solids are efficiently vaporized by a high-energy laser pulse, supersonically expanded into a evacuated Fabry-Perot cavity and characterised by their rotational spectra. Recent improvements such as the use of picosecond pulse lasers, new ablation nozzles and the extension of the range of the spectrometers to low frequecy have notably increased the sensitivity of our experimental setup. To date different α-, β- and γ-amino acids have been studied using this technique, making possible the characterization of their preferred conformations and gaining insight in the role of intramolecular interactions. Even in conformationally challenging systems the different rotamers of such biomolecules can be identified by rotational spectroscopy as can be illustrated by the assignment of six low-energy conformers in cysteine and aspartic acid, seven in serine and threonine,^a and nine in γ-amino butyric acid (GABA). In all cases the low-energy conformers have been conclusive identified from their experimental rotational and 14N quadrupole coupling constants. The spectra of neurotransmitters and of the nucleic acid bases uracil, thymine, cytosine and guanine have also been studied and their preferred conformers or tautomeric forms determined. The complexes between amino acids and nucleic acid bases with water have also been investigated to obtain information on the possible changes induced in the conformational or tautomeric preferences by the addition of solvent molecules. J. L. Alonso, C. Pérez, M. E. Sanz, J. C. López, S. Blanco, Phys. Chem. Chem. Phys. 11, 617-627 (2009) and references therein M. E. Sanz, J. C. López, J. L. Alonso, Phys. Chem. Chem. Phys., 12, 3573-3578 (2010) S. Blanco, J. C. López, S. Mata and J. L. Alonso, Angew. Chem. Int. Ed. 49, 9187 (2010) J. L. Alonso, M. E. Sanz, J. C. López, V. Cortijo, J. Am. Chem. Soc. 131, 4320 (2009) J. L. Alonso, I. Peña, J. C. López, V. Vaquero, Angew. Chem. Int. Ed. 49, 6141 (2009) J. C. López, J. L. Alonso, I. Peña, V. Vaquero, Phys. Chem. Chem. Phys., 12, 3573-3578 (2010)

Density of states and dynamical crossover in a dense fluid revealed by exponential mode analysis of the velocity autocorrelation function

NASA Astrophysics Data System (ADS)

Bellissima, S.; Neumann, M.; Guarini, E.; Bafile, U.; Barocchi, F.

2017-01-01

Extending a preceding study of the velocity autocorrelation function (VAF) in a simulated Lennard-Jones fluid [Phys. Rev. E 92, 042166 (2015), 10.1103/PhysRevE.92.042166] to cover higher-density and lower-temperature states, we show that the recently demonstrated multiexponential expansion method allows for a full account and understanding of the basic dynamical processes encompassed by a fundamental quantity as the VAF. In particular, besides obtaining evidence of a persisting long-time tail, we assign specific and unambiguous physical meanings to groups of exponential modes related to the longitudinal and transverse collective dynamics, respectively. We have made this possible by consistently introducing the interpretation of the VAF frequency spectrum as a global density of states in fluids, generalizing a solid-state concept, and by giving to specific spectral components, obtained through the VAF exponential expansion, the corresponding meaning of partial densities of states relative to specific dynamical processes. The clear identification of a high-frequency oscillation of the VAF with the near-top excitation frequency in the dispersion curve of acoustic waves is a neat example of the power of the method. As for the transverse mode contribution, its analysis turns out to be particularly important, because the multiexponential expansion reveals a transition marking the onset of propagating excitations when the density is increased beyond a threshold value. While this finding agrees with the recent literature debating the issue of dynamical crossover boundaries, such as the one identified with the Frenkel line, we can add detailed information on the modes involved in this specific process in the domains of both time and frequency. This will help obtain a still missing full account of transverse dynamics, in both its nonpropagating and propagating aspects which are linked through dynamical transitions depending on both the thermodynamic states and the excitation wave vectors.

PREFACE: Classical density functional theory methods in soft and hard matter Classical density functional theory methods in soft and hard matter

NASA Astrophysics Data System (ADS)

Haataja, Mikko; Gránásy, László; Löwen, Hartmut

2010-08-01

Herein we provide a brief summary of the background, events and results/outcome of the CECAM workshop 'Classical density functional theory methods in soft and hard matter held in Lausanne between October 21 and October 23 2009, which brought together two largely separately working communities, both of whom employ classical density functional techniques: the soft-matter community and the theoretical materials science community with interests in phase transformations and evolving microstructures in engineering materials. After outlining the motivation for the workshop, we first provide a brief overview of the articles submitted by the invited speakers for this special issue of Journal of Physics: Condensed Matter, followed by a collection of outstanding problems identified and discussed during the workshop. 1. Introduction Classical density functional theory (DFT) is a theoretical framework, which has been extensively employed in the past to study inhomogeneous complex fluids (CF) [1-4] and freezing transitions for simple fluids, amongst other things. Furthermore, classical DFT has been extended to include dynamics of the density field, thereby opening a new avenue to study phase transformation kinetics in colloidal systems via dynamical DFT (DDFT) [5]. While DDFT is highly accurate, the computations are numerically rather demanding, and cannot easily access the mesoscopic temporal and spatial scales where diffusional instabilities lead to complex solidification morphologies. Adaptation of more efficient numerical methods would extend the domain of DDFT towards this regime of particular interest to materials scientists. In recent years, DFT has re-emerged in the form of the so-called 'phase-field crystal' (PFC) method for solid-state systems [6, 7], and it has been successfully employed to study a broad variety of interesting materials phenomena in both atomic and colloidal systems, including elastic and plastic deformations, grain growth, thin film growth, solid-liquid interface properties, glassy dynamics, nucleation and growth, and diffusive phase transformations at the nano- and mesoscales [8-16]. The appealing feature of DDFT (as applied to solid-state systems) is that it automatically incorporates diffusive dynamics with atomic scale spatial resolution, and it naturally incorporates multiple components, elastic strains, dislocations, free surfaces, and multiple crystalline orientations; all of these features are critical in modeling the behavior of solid-state systems. Similarities between the problems of interest to the two communities and the complementary nature of the methods they apply suggest that a direct interaction between them should be highly beneficial for both parties. Here we summarize some of the discussions during a three-day CECAM workshop in Lausanne (21-23 October 2009) which was organized in order to bring together researchers from the complex fluids and materials science communities and to foster the exchange of ideas between these two communities. During the course of the workshop, several open problems relevant to both fields (DFT and PFC) were identified, including developing better microscopically-informed density functionals, incorporating stochastic fluctuations, and accounting for hydrodynamic interactions. The goal of this special issue is to highlight recent progress in DFT and PFC approaches, and discuss key outstanding problems for future work. The rest of this introductory paper is organized as follows. In section 2, we give a brief overview of the current research topics addressed in this special issue. Then, in section 3, we present a collection of outstanding problems, which have been identified as important for further developments of the two fields and intensely debated at the CECAM workshop. Finally, we close the paper with a few concluding remarks. 2. Research topics addressed in this special issue This special issue consists of research papers that cover a broad range of interesting subjects, about a half of which are related to the theoretical materials science community and the other half came from the soft-matter community. We begin by discussing papers related to PFC. Diverse subjects related to the phase-field crystal model include exciting topics such as predicting/controlling the equilibrium phase behavior [19, 18, 17] and kinetics of epitaxial island formation on nano-membranes [20]. Moreover, phase-field crystal modeling has proved to be very successful in simulating homogeneous and heterogeneous crystal nucleation and growth, and several aspects of these phenomena are discussed in this issue [18, 21]. Finally, it is shown how to incorporate additional orientational degrees of freedom within the PFC approach to model liquid crystals [22]. On the DFT side, the other papers in this special issue deal with problems associated with advanced DFT techniques and applications. The existence of a structural instability in sub-critical crystalline fluctuations in a supercooled liquid within a square-gradient theory is discussed in [23]. Fundamental measure theory for hard-body systems is improved by discussing a correction term in detail, as discussed in [24]. A mean-field-like density functional for charges is applied to the effective interaction between charged colloids obtained within a cell model [25]. The remaining articles provide fundamental insight into how to supplement DDFT-type methods with hydrodynamics [26, 27], highlight the role of the projection operator technique in deriving dynamical density functional theories [28], and demonstrate how perturbation methods can be employed to compute the properties of solid-liquid interfaces [29]. This particular collection of papers demonstrates rather convincingly the significant potential that classical density functional techniques possess in modeling complex systems built of either soft or hard matter (or combinations thereof). While the PFC approach offers a simple and appealing means to simulate evolving microstructures in spatially extended system with atomic scale spatial resolution over diffusive time scales, DFT provides both its theoretical underpinning and (hopefully) the means to construct microscopically more quantitative density functionals for use in engineering materials. Outstanding issues within the PFC and DFT approaches, discussed next, will provide further opportunities for interactions between the PFC and DFT communities. 3. Important open issues and exciting avenues for further research In the following we summarize some of the exciting topics for future research, which were discussed during the CECAM workshop. They concern both fundamental problems and applications, all within the framework of DFT and PFC. Addressing these issues will provide a framework for future work in these two overlapping fields. (a) How to construct a reliable density functional (DF) for soft repulsions? Most of the recent developments in classical density functional theory were focussed on hard-sphere-like interactions in the framework of fundamental-measure-theory (FMT) [30-33]. While this approach can be extended to additive and nonadditive mixtures [34, 35] and to non-spherical hard objects [36, 37], it is much more difficult to include soft-core interactions, such as inverse-power-law pair-potentials. There have been attempts to include those, mainly using the Ramakrishnan-Yussouff [38] or the weighted-density [39-41] approximation, or other modifications (see e.g., [42, 43]), but the accuracy of these functionals are inferior to that of FMT for hard spheres. Clearly the FMT of Rosenfeld needs an extension for the hard-core Coulomb system. A complementary approach is to start from a density functional for hard orientable objects [36] and to integrate out the orientational degrees of freedom. This would lead to a softened effective repulsion between spherical objects. We mention finally that in the extreme limit of ultrasoft pair potentials, which are penetrable, the mean-field approximation provides a reliable functional [44]. (b) How to construct a reliable DF beyond perturbation theory? This is the key to developing accurate, predictive functionals for use in materials science problems. Typically an attractive tail in the interparticle interaction is treated within thermodynamic hard-sphere perturbation theory [45, 46], in most cases at the mean-field level. As this perturbative approach is only justified for weak attraction strengths, there is a great need to go beyond this perturbation theory. A general non-perturbative route, which could be helpful here, is to consider a functional for a mixture and reducing it to an effective one-component system. Following this idea, for example effective depletion attractions can be modeled for a one-component system by starting from the binary Asakura-Oosawa functional [34, 35]. This idea still needs to be exploited in a more general sense, i.e. for more general cross-interactions in the mixture. It could also be combined with the idea of using non-spherical hard objects and integrating out the orientational degrees of freedom. (c) How to apply the fundamental measure theory to the full phase diagram of lyotropic liquid crystals? There are already density-functional investigations of liquid-crystal phases of hard spherocylinders [47, 48], but the novel fundamental-measure-theory which was recently proposed for non-spherical objects[36] has never been applied to this problem. In fact, this new functional now needs numerical evaluation for liquid-crystal phases different from isotropic and nematic ones, such as smectic, columnar, plastic crystalline and full orientational ordered crystalline phases [49, 50]. This is mainly a pure numerical resolution problem since the density fields are sharply peaked in the solid phases and need enough grid points, which is at the moment a rather formidable challenge in three spatial dimensions. However, if only orientational degrees of freedoms are considered, the computational effort is greatly reduced; see, e.g., [36, 51, 52]. (d) The role of fluctuations in DDFT and PFC. There is a continuing debate about the role of noise in the dynamical density functional theory (see e.g. [53]) and correspondingly also in the phase-field crystal models. Derivations of DDFT from the Smoluchowski level [54] and also within the projection operator technique [5] quite naturally lead to a deterministic equation without any noise. Clearly this is an approximation, which becomes problematic in the vicinity of a critical point or in the case of nucleation problems, where the system has to leave a metastable minimum of the free energy; in the former case, fluctuations are required in order to capture the correct critical behavior (i.e., critical exponents), while in the latter case, fluctuations are needed to establish an escape route of the system from a metastable phase. Other approaches add noise on a more phenomenological level. However, the actual strength of the noise, though fundamentally correlated with the thermal energy, is not known exactly and is treated in most applications as a phenomenological fit parameter; see, e.g., [55, 56]. This problem is a very fundamental one, and, of course, shared by the DDFT and PFC approaches. In more general terms, the addition of noise to the equation of motion in continuum models is not without conceptual difficulties (see [57]), even if noise is properly discretized in the course of the numerical integration. With the noise added, the equilibrium physical properties of the system change. Furthermore, transformation kinetics generally depend on the spatial and temporal steps, and in the limit of infinitely small steps an ultraviolet 'catastrophe' (divergence of the free energy) may occur. Evidently, an 'ultraviolet cut-off', i.e. filtering out the highest frequencies, is required to regularize the unphysical singularity. In the PFC case, a straightforward choice for the cut-off length is the interparticle distance, which is expected to remove the unphysical, small wavelength fluctuations [58, 16, 59, 18]. Perhaps a more elegant way to handle this problem is via renormalizing the model parameters so that with noise one recovers the 'bare' physical properties (see the application of this approach for the Swift-Hohenberg model in [60]). However, further systematic investigations are needed in order to settle this issue. (e) The need to clarify the role of the adiabatic approximation. While DDFT can be derived from more microscopic equations, such as the Smoluchowski equation [54] or the Langevin equations [61] for the individual particles, a major approximation is invoked in the derivation, namely the so-called 'adiabatic approximation'. This approximation assumes that all other observables relax much faster than the one-particle density field [5]. Therefore, the nonequilibrium correlations are replaced by equilibrium ones corresponding to an inhomogeneous reference one-particle density [54]. This enables one to formulate the theory in terms of the time-dependent one-particle density field alone. What is still needed here is a more general theory which provides the next-leading order beyond the adiabatic approximation. This improved theory would not only provide more fundamental insight into the DDFT itself; it would also pave the way to many applications where the simpleDDFT fails. (f) How to apply and exploit DDFT for active matter? The collective behavior of self-propelled particles with internal driving motors is a topic of active research [62, 62]. Given that the particle dynamics can be described in terms of driven Brownian motion, a dynamical density functional theory can be derived in a straightforward manner. In a first application, DDFT was employed to describe aggregation phenomena near system boundaries for driven rod-like colloidal particles [64]. The potential of DDFT for 'active' particles should be exploited more in the future, as it provides a microscopic approach to investigate nonequilibrium effects, such as swarming and jamming. (g) How to construct a PFC model for inhomogeneous liquid crystals? The traditional PFC model [6, 7] describes a two-dimensional one-component solid phase by a single inhomogeneous sinusoidal density field. The PFC approach has been generalized to mixtures by including more than a single density field [11] and to anisotropic particles with a fixed orientation [65]. However, it has never been applied to liquid crystals which are made by particles with intrinsic orientational degrees of freedom. Based on discussion during the CECAM workshop, a link towards the PFC model has been elaborated and the corresponding PFC model for liquid crystals was derived, see article [22] in this special issue. The extended PFC model contains both the translational density and the local orientational degree of ordering as well as a local director field. The model exhibits stable isotropic, nematic, smectic A, columnar, plastic crystalline and orientationally ordered crystalline phases and bears therefore much richer phases than the original PFC. A large-scale numerical exploration of this PFC model still needs to be performed. The derivation exploits the connection between DDFT and PFC, which was highlighted in [66] for spherical particles, and is based on recent generalizations of DDFT to rod-like Brownian particles [67, 64]. (h) How to incorporate hydrodynamic interactions between particles in dense driven systems of colloids? In dense colloidal dispersions, hydrodynamic interactions between the particles play a major role in their collective behavior. While these interactions affect neither structural correlations nor the equilibrium phase behavior, they have a profound effect on the dynamics both in equilibrium and non-equilibrium [68]. Recently, DDFT was extended to include hydrodynamic interactions on the pairwise level of the mobility tensors [69]. This kind of DDFT needs more applications as well as a fundamental development towards higher-order mobility tensors beyond the pairwise level or to a description, which includes lubrication forces between colloidal particles at small interparticle separations. (i) How to systematically construct effective, low-frequency representations from DFT/DDFT? Given an accurate and predictive density functional, which incorporates interaction potentials between the constituent species in a multi-component system, building an effective description would be highly desirable as it would provide an alternative to purely atomistic approaches (e.g., molecular dynamics simulations) and enable the simulation of quantitative, microscopically-informed, continuum systems across diffusive time scales. The first challenge, of course, is the development of such functionals, as already discussed in item (b) above. Once this challenge has been overcome, the next step would be to project out the dynamics of the relevant degrees of freedom from the full DDFT description. Physically, one would expect that the shape of a single peak in the density would relax much faster than, say, the distance between peak centers. Therefore, it should be possible to `slave' the high-frequency modes associated with the peak shapes to the more slowly evolving modes with low spatial frequencies. (j) How to build numerically efficient, quantitative PFC models for a broad spectrum of metallic materials? Viewed as an extension of the traditional phase-field method (see, e.g., [70-74]. for comprehensive reviews), PFC incorporates microscopic physics (crystal symmetry, grain orientation, topological defects) in a phenomenological manner. A practical issue in numerically integrating the dynamic PFC equation is that the grid spacing is constrained to be a fraction of the lattice spacing (typically Δ x ~ a/8), making large-scale simulations challenging in three spatial dimensions. It is thus highly desirable to develop a methodology that would allow one to tune important materials parameters such as crystal symmetry, lattice spacing, elastic constants, surface energies and stresses, dislocation core energy, and dislocation mobility, without sacrificing numerical efficiency. The issue of constructing PFC free energies, which give rise to a given crystal symmetry, has been addressed very recently; see, e.g., [17-19]. Going beyond the question of crystal symmetry, an appealing possibility is to further develop the so-called amplitude equation approach [75-77]., in which the density field is essentially expressed in terms of slowly-varying envelope functions (i.e., amplitudes), modulated by the fundamental spatial periodicity of the density. In fact, it has been demonstrated recently that such an approach provides a truly multi-scale approach to studying phase transformations in solid-liquid systems [78]. The goal is to construct amplitude equations, which accurately incorporate, e.g., surface tension anisotropies for simulations of solid-solid, solid-liquid, and solid-vapor systems. Alternatively, one can work directly with the PFC density field and introduce additional model parameters which can be fitted so that a required set of physical properties is recovered, such as the properties of the solid-liquid interface in pure iron [79]. (k) How to simulate electronic materials with PFC? Ferroelectrics comprise an interesting class of materials, which undergo a structural phase transformation (typically cubic-to-tetragonal) below a Curie temperature and acquire a non-zero electric polarization. It has been suggested that the manipulation of these polarization domains by means of an external field can be exploited in novel non-volatile memory devices [80, 81]. The PFC approach would present an appealing means to study ferroelectrics exhibiting one or more (ferroic) order parameters, provided that the crystal lattice can be coupled to the local order parameter(s) in a physically-based manner. 4. Concluding remarks The workshop 'Classical density functional theory methods in soft and hard matter' has established the first contact between the soft-matter community working with advanced classical density functional techniques and a theoretical materials science community working with engineering materials and armed with a simple but numerically very efficient dynamical density functional technique, the phase-field crystal method. A large number of common problems have been identified, which represent challenges for both communities during the coming years. This has been borne out by the lively discussions and some of the provocative talks. The organizers think that the workshop proved to be a truly successful event, matching to the high standards of the CECAM workshops, and hope that the workshop will indeed catalyze a long-term interaction between the two communities. As a final note, we would like to emphasize that progress in the areas highlighted in this special issue will positively impact both fields, and we expect that these issues will provide the natural link for collaborations and intellectual exchanges between these traditionally separate-yet-allied fields. In particular, such activities would lead to significant improvements in the applicability and versatility of classical DFT methods in both soft and hard matter systems, for the common benefit of physicists, chemists, and materials scientists. References [1] Evans R 1979 Adv. 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Cryogenic Optical Refrigeration

DTIC Science & Technology

2012-03-22

Applications of Laser Cooling of Solids, 1st ed. (Wiley-VCH, 2009). 12. M. Sheik- Bahae and R. I . Epstein, “Optical refrigeration,” Nat. Photonics 1(12), 693–699...2007). Advances in Optics and Photonics 4, 78–107 (2012) doi:10.1364/AOP.4.000078 99 13. M. Sheik- Bahae and R. I . Epstein, “Laser cooling of solids...Sheik- Bahae and R. I . Epstein, “Can laser light cool semiconductors,” Phys. Rev. Lett. 92(24), 247403 (2004). 18. P. Asbeck, “Self-absorption effects

Relativistic corrections to the ground state of H2 calculated without using the Born-Oppenheimer approximation

NASA Astrophysics Data System (ADS)

Wang, L. M.; Yan, Z.-C.

2018-06-01

The Schrödinger equation for the ground state of the hydrogen molecule H2 is solved by applying the Rayleigh-Ritz variational method in Hylleraas coordinates without using the Born-Oppenheimer approximation. The nonrelativistic energy eigenvalue is converged to -1.164 025 030 880 (7 ) atomic units. The leading-order relativistic corrections, including the mass-velocity, Darwin, orbit-orbit, spin-spin, and relativistic recoil terms, are evaluated perturbatively. Together with the higher-order relativistic and quantum electrodynamic corrections obtained by Puchalski et al. [Phys. Rev. Lett. 117, 263002 (2016), 10.1103/PhysRevLett.117.263002], we determine the dissociation energy of the hydrogen molecule, D0=36 118.069 71 (33 ) cm-1 , which agrees with the two recent experimental results of Liu et al. [J. Chem. Phys. 130, 174306 (2009), 10.1063/1.3120443], 36 118.069 62 (37 ) cm-1 , and Altmann et al. [Phys. Rev. Lett. 120, 043204 (2018), 10.1103/PhysRevLett.120.043204], 36 118.069 45 (31 ) cm-1 .

Teleportation of a two-mode entangled coherent state encoded with two-qubit information

NASA Astrophysics Data System (ADS)

Mishra, Manoj K.; Prakash, Hari

2010-09-01

We propose a scheme to teleport a two-mode entangled coherent state encoded with two-qubit information, which is better than the two schemes recently proposed by Liao and Kuang (2007 J. Phys. B: At. Mol. Opt. Phys. 40 1183) and by Phien and Nguyen (2008 Phys. Lett. A 372 2825) in that our scheme gives higher value of minimum assured fidelity and minimum average fidelity without using any nonlinear interactions. For involved coherent states | ± αrang, minimum average fidelity in our case is >=0.99 for |α| >= 1.6 (i.e. |α|2 >= 2.6), while previously proposed schemes referred above report the same for |α| >= 5 (i.e. |α|2 >= 25). Since it is very challenging to produce superposed coherent states of high coherent amplitude (|α|), our teleportation scheme is at the reach of modern technology.

Lack of a thermodynamic finite-temperature spin-glass phase in the two-dimensional randomly coupled ferromagnet

NASA Astrophysics Data System (ADS)

Zhu, Zheng; Ochoa, Andrew J.; Katzgraber, Helmut G.

2018-05-01

The search for problems where quantum adiabatic optimization might excel over classical optimization techniques has sparked a recent interest in inducing a finite-temperature spin-glass transition in quasiplanar topologies. We have performed large-scale finite-temperature Monte Carlo simulations of a two-dimensional square-lattice bimodal spin glass with next-nearest ferromagnetic interactions claimed to exhibit a finite-temperature spin-glass state for a particular relative strength of the next-nearest to nearest interactions [Phys. Rev. Lett. 76, 4616 (1996), 10.1103/PhysRevLett.76.4616]. Our results show that the system is in a paramagnetic state in the thermodynamic limit, despite zero-temperature simulations [Phys. Rev. B 63, 094423 (2001), 10.1103/PhysRevB.63.094423] suggesting the existence of a finite-temperature spin-glass transition. Therefore, deducing the finite-temperature behavior from zero-temperature simulations can be dangerous when corrections to scaling are large.

Theoretical description of the mixed-field orientation of asymmetric-top molecules: A time-dependent study

NASA Astrophysics Data System (ADS)

Omiste, Juan J.; González-Férez, Rosario

2016-12-01

We present a theoretical study of the mixed-field-orientation of asymmetric-top molecules in tilted static electric field and nonresonant linearly polarized laser pulse by solving the time-dependent Schrödinger equation. Within this framework, we compute the mixed-field orientation of a state-selected molecular beam of benzonitrile (C7H5N ) and compare with the experimental observations [J. L. Hansen et al., Phys. Rev. A 83, 023406 (2011), 10.1103/PhysRevA.83.023406] and with our previous time-independent descriptions [J. J. Omiste et al., Phys. Chem. Chem. Phys. 13, 18815 (2011), 10.1039/c1cp21195a]. For an excited rotational state, we investigate the field-dressed dynamics for several field configurations as those used in the mixed-field experiments. The nonadiabatic phenomena and their consequences on the rotational dynamics are analyzed in detail.

Fractional quantum Hall effect in the interacting Hofstadter model via tensor networks

NASA Astrophysics Data System (ADS)

Gerster, M.; Rizzi, M.; Silvi, P.; Dalmonte, M.; Montangero, S.

2017-11-01

We show via tensor network methods that the Harper-Hofstadter Hamiltonian for hard-core bosons on a square geometry supports a topological phase realizing the ν =1/2 fractional quantum Hall (FQH) effect on the lattice. We address the robustness of the ground-state degeneracy and of the energy gap, measure the many-body Chern number, and characterize the system using Green functions, showing that they decay algebraically at the edges of open geometries, indicating the presence of gapless edge modes. Moreover, we estimate the topological entanglement entropy by taking a combination of lattice bipartitions that reproduces the topological structure of the original proposals by Kitaev and Preskill [Phys. Rev. Lett. 96, 110404 (2006), 10.1103/PhysRevLett.96.110404] and Levin and Wen [Phys. Rev. Lett. 96, 110405 (2006), 10.1103/PhysRevLett.96.110405]. The numerical results show that the topological contribution is compatible with the expected value γ =1/2 . Our results provide extensive evidence that FQH states are within reach of state-of-the-art cold-atom experiments.

Counterfactual quantum cryptography based on weak coherent states

NASA Astrophysics Data System (ADS)

Yin, Zhen-Qiang; Li, Hong-Wei; Yao, Yao; Zhang, Chun-Mei; Wang, Shuang; Chen, Wei; Guo, Guang-Can; Han, Zheng-Fu

2012-08-01

In the “counterfactual quantum cryptography” scheme [T.-G. Noh, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.103.230501 103, 230501 (2009)], two legitimate distant peers may share secret-key bits even when the information carriers do not travel in the quantum channel. The security of this protocol with an ideal single-photon source has been proved by Yin [Z.-Q. Yin, H. W. Li, W. Chen, Z. F. Han, and G. C. Guo, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.82.042335 82, 042335 (2010)]. In this paper, we prove the security of the counterfactual-quantum-cryptography scheme based on a commonly used weak-coherent-laser source by considering a general collective attack. The basic assumption of this proof is that the efficiency and dark-counting rate of a single-photon detector are consistent for any n-photon Fock states. Then through randomizing the phases of the encoding weak coherent states, Eve's ancilla will be transformed into a classical mixture. Finally, the lower bound of the secret-key-bit rate and a performance analysis for the practical implementation are both given.

Two-phase thermodynamic model for computing entropies of liquids reanalyzed

NASA Astrophysics Data System (ADS)

Sun, Tao; Xian, Jiawei; Zhang, Huai; Zhang, Zhigang; Zhang, Yigang

2017-11-01

The two-phase thermodynamic (2PT) model [S.-T. Lin et al., J. Chem. Phys. 119, 11792-11805 (2003)] provides a promising paradigm to efficiently determine the ionic entropies of liquids from molecular dynamics. In this model, the vibrational density of states (VDoS) of a liquid is decomposed into a diffusive gas-like component and a vibrational solid-like component. By treating the diffusive component as hard sphere (HS) gas and the vibrational component as harmonic oscillators, the ionic entropy of the liquid is determined. Here we examine three issues crucial for practical implementations of the 2PT model: (i) the mismatch between the VDoS of the liquid system and that of the HS gas; (ii) the excess entropy of the HS gas; (iii) the partition of the gas-like and solid-like components. Some of these issues have not been addressed before, yet they profoundly change the entropy predicted from the model. Based on these findings, a revised 2PT formalism is proposed and successfully tested in systems with Lennard-Jones potentials as well as many-atom potentials of liquid metals. Aside from being capable of performing quick entropy estimations for a wide range of systems, the formalism also supports fine-tuning to accurately determine entropies at specific thermal states.

Vibrational spectroscopic study on polymorphism of erucic acid and palmitoleic acid: γ1→α1 and γ→α reversible solid state phase transitions

NASA Astrophysics Data System (ADS)

Kaneko, Fumitoshi; Yamazaki, Kazuhiro; Kobayashi, Masamichi; Sato, Kiyotaka; Suzuki, Masao

1994-08-01

The infrared and Raman spectra of four polymorphic phases (α, α1, γ and γ1) of erucic acid ( cis-13-docosenoic acid) and those of two polymorphic phases (α and γ) of palmitoleic acid ( cis-9-hexadecenoic acid) were investigated. The γ and γ1 phases of erucic acid were analyzed on the basis of crystal structures determined by us. There were large spectral differences between γ and γ1 phases, which could be ascribed to the differences in the conformation of cis-olefin groups and the subcell structure. Two types of reversible solid state phase transitions (γ→α and γ1→α1 transitions) were followed by the infrared and Raman spectra. It was concluded that the mechanism of the γ→α phase transition of erucic and palmitoleic acids is essentially the same as that of oleic acid previously reported by us [ J. Phys. Chem.90, 6371 (1986)], i.e. this phase transition is of order-disorder type accompanied by a conformational disordering at the methyl-terminal chain. Spectral changes on the γ1→α1 transition suggested that a similar structural change took place during this transition but there were large structural differences between α and α1.

Universal formulation of excitonic linear absorption spectra in all semiconductor microstructures

NASA Astrophysics Data System (ADS)

Lefebvre, Pierre; Christol, Philippe; Mathieu, Henry

1995-01-01

We present a generalization of the well-known exciton absorption calculations of Elliott [Phys. Rev. 108, 1384 (1957)], in the 3-dimensional case, and of Shinada and Sugano [J. Phys. Soc. Japan 21, 1936 (1966)], for 2-dimensional media: We calculate the optical absorption spectra of bound and unbound exciton states, by using a metric space with a noninteger dimension α (1 < α), obtaining almost exactly the same theoretical lineshapes as those resulting from accurate but costly numerical approaches [Chuang et al. Phys. Rev. B, 43, 1500 (1991); Benner and Haug, Phys. Rev. B 47, 15750 (1993)].

Does atomic polarizability play a role in hydrogen radio recombination spectra from Galactic H II regions?

NASA Astrophysics Data System (ADS)

Hey, J. D.

2013-09-01

Since highly excited atoms, which contribute to the radio recombination spectra from Galactic H II regions, possess large polarizabilities, their lifetimes are influenced by ion (proton)-induced dipole collisions. It is shown that, while these ion-radiator collisional processes, if acting alone, would effectively limit the upper principal quantum number attainable for given plasma parameters, their influence is small relative to that of electron impacts within the framework of line broadening theory. The present work suggests that ion-permanent dipole interactions (Hey et al 2004 J. Phys. B: At. Mol. Opt. Phys. 37 2543) would also be of minor importance in limiting the occupation of highly excited states. On the other hand, the ion-induced dipole collisions are essential for ensuring equipartition of energy between atomic and electron kinetic distributions (Hey et al 1999 J. Phys. B: At. Mol. Opt. Phys. 32 3555; 2005 J. Phys. B: At. Mol. Opt. Phys. 38 3517), without which Voigt profile analysis to extract impact broadening widths would not be possible. Electron densities deduced from electron impact broadening of individual lines (Griem 1967 Astrophys. J. 148 547; Watson 2006 J. Phys. B: At. Mol. Opt. Phys. 39 1889) may be used to check the significance of the constraints arising from the present analysis. The spectra of Bell et al (2000 Publ. Astron. Soc. Pac. 112 1236; 2011 Astrophys. Space Sci. 333 377; 2011 Astrophys. Space Sci. 335 451) for Orion A and W51 in the vicinity of 6.0 and 17.6 GHz are examined in this context, and also in terms of a possible role of the background ion microfield in reducing the near-elastic contributions to the electron impact broadening below the predictions of theory (Hey 2012 J. Phys. B: At. Mol. Opt. Phys. 45 065701). These spectra are analysed, subject to the constraint that calculated relative intensities of lines, arising from upper states in collisional-radiative equilibrium, should be consistent with those obtained from Voigt profile analysis. It is shown that the experimental technique yields an excellent temperature diagnostic for the H II regions. On the other hand, strong evidence is not obtained, from those spectra which satisfy the above constraint on intensity, to indicate that the electron impact broadening theory requires substantial correction. The main grounds for attempting a revision of theory to allow for the influence of the ion microfield during the scattering processes on the upper and lower states of each line thus still appear to have a stronger theoretical (Hey 2007 J. Phys. B: At. Mol. Opt. Phys. 40 4077) than experimental basis.

Entropy of Stationary Nonequilibrium Measures of Boundary Driven Symmetric Simple Exclusion Processes

NASA Astrophysics Data System (ADS)

Bernardin, Cédric; Landim, Claudio

2010-12-01

We examine the entropy of stationary nonequilibrium measures of boundary driven symmetric simple exclusion processes. In contrast with the Gibbs-Shannon entropy (Bahadoran in J. Stat. Phys. 126(4-5):1069-1082, 2007; Derrida et al. in J. Stat. Phys. 126(4-5):1083-1108, 2007), the entropy of nonequilibrium stationary states differs from the entropy of local equilibrium states.

Comment on "Direct counterfactual transmission of a quantum state"

NASA Astrophysics Data System (ADS)

Vaidman, L.

2016-06-01

The protocol for counterfactual transmission of a qubit [Z.-H. Li et al., Phys. Rev. A 92, 052315 (2015), 10.1103/PhysRevA.92.052315] relies on the counterfactuality of transmissions of bit 1 and of bit 0. Since counterfactuality of transmission of bit 0 is not established, the claim of counterfactuality of transmission of a quantum state is not established too.

A theoretical study on hot charge-transfer states and dimensional effects of organic photocells based on an ideal diode model.

PubMed

Shimazaki, Tomomi; Nakajima, Takahito

2017-05-21

This paper discusses an ideal diode model with hot charge-transfer (CT) states to analyze the power conversion efficiency of an organic photocell. A free carrier generation mechanism via sunlight in an organic photocell consists of four microscopic processes: photon absorption, exciton dissociation, CT, and charge separation. The hot CT state effect has been actively investigated to understand the charge separation process. We previously reported a theoretical method to calculate the efficiency of the charge separation process via a hot CT state (T. Shimazaki et al., Phys. Chem. Chem. Phys., 2015, 17, 12538 and J. Chem. Phys., 2016, 144, 234906). In this paper, we integrate the simulation method into the ideal photocell diode model and calculate several properties such as short circuit current, open circuit voltage, and power conversion efficiency. Our results highlight that utilizing the dimensional (entropy) effect together with the hot CT state can play an essential role in developing more efficient organic photocell devices.

Accessing ultrahigh-pressure, quasi-isentropic states of mattera)

NASA Astrophysics Data System (ADS)

Lorenz, K. T.; Edwards, M. J.; Glendinning, S. G.; Jankowski, A. F.; McNaney, J.; Pollaine, S. M.; Remington, B. A.

2005-05-01

A new approach to the study of material strength of metals at extreme pressures has been developed on the Omega laser, using a ramped plasma piston drive. The laser drives a shock through a solid plastic reservoir that unloads at the rear free surface, expands across a vacuum gap, and stagnates on the metal sample under study. This produces a gently increasing ram pressure, compressing the sample nearly isentropically. The peak pressure on the sample, inferred from interferometric measurements of velocity, can be varied by adjusting the laser energy and pulse length, gap size, and reservoir density, and obeys a simple scaling relation [J. Edwards et al., Phys. Rev. Lett. 92, 075002 (2004)]. In an important application, using in-flight x-ray radiography, the material strength of solid-state samples at high pressure can be inferred by measuring the reductions in the growth rates (stabilization) of Rayleigh-Taylor unstable interfaces. This paper reports the first attempt to use this new laser-driven, quasi-isentropic technique for determining material strength in high-pressure solids. Modulated foils of Al-6061-T6 were accelerated and compressed to peak pressures of ˜200kbar. Modulation growth was recorded at a series of times after peak acceleration and well into the release phase. Fits to the growth data, using a Steinberg-Guinan constitutive strength model, give yield strengths 38% greater than those given by the nominal parameters for Al-6061-T6. Calculations indicate that the dynamic enhancement to the yield strength at ˜200kbar is a factor of ˜3.6× over the ambient yield strength of 2.9kbar. Experimental designs based on this drive developed for the National Ignition Facility laser [W. Hogan, E. Moses, B. Warner, M. Sorem, and J. Soures, Nuclear Fusion 41, 567 (2001)] predict that solid-state samples can be quasi-isentropically driven to pressures an order of magnitude higher than on Omega, accessing new regimes of dense, high-pressure matter.

Experimental noise-resistant Bell-inequality violations for polarization-entangled photons

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

Bovino, Fabio A.; Castagnoli, Giuseppe; Cabello, Adan

2006-06-15

We experimentally demonstrate that violations of Bell's inequalities for two-photon polarization-entangled states with colored noise are extremely robust, whereas this is not the case for states with white noise. Controlling the amount of noise by using the timing compensation scheme introduced by Kim et al. [Phys. Rev. A 67, 010301(R) (2003)], we have observed violations even for states with very high noise, in excellent agrement with the predictions of Cabello et al. [Phys. Rev. A 72, 052112 (2005)].

Wet-Chemical Synthesis of Enhanced-Thermopower Bi1 -xSbx Nanowire Composites for Solid-State Active Cooling of Electronics

NASA Astrophysics Data System (ADS)

Vandaele, K.; He, Bin; Van Der Voort, P.; De Buysser, K.; Heremans, J. P.

2018-02-01

This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus. In 1993, Hicks and Dresselhaus [Thermoelectric figure of merit of a one-dimensional conductor, Phys. Rev. B 47, 16631 (1993)., 10.1103/PhysRevB.47.16631] suggested that Bi nanowires could result in values of the thermoelectric figure of merit z T >1 . The Dresselhaus group also calculated a ternary phase diagram for Bi1 -xSbx nanowires as a function of x and wire diameter. This manuscript reports a wet-chemical method to synthesize Bi1 -xSbx -silica nanowire composites. Resistivity, Hall electron concentration, electron mobility, Seebeck and Nernst coefficients, and thermal conductivity of composites are measured and compared to bulk polycrystalline Bi1 -xSbx samples prepared either by ingot casting or by the same wet chemistry but without nanostructuring. A clear increase of the thermopower in 20-nm Bi94Sb6 -silica is reported when compared to bulk samples, and the values are among the highest found in the literature from 300 to 380 K, even though the electron concentration is higher than in the bulk. This suggests that consistent with theory, size quantization is responsible for the thermopower increase.

Some properties of Stark states of hydrogenic atoms and ions

NASA Astrophysics Data System (ADS)

Hey, J. D.

2007-10-01

The motivation for this work is the problem of providing accurate values of the atomic transition matrix elements for the Stark components of Rydberg Rydberg transitions in atomic hydrogen and hydrogenic ions, for use in spectral line broadening calculations applicable to cool, low-density plasmas, such as those found in H II regions. Since conventional methods of calculating these transition matrix elements cannot be used for the high principal quantum numbers now easily attained in radio astronomical spectra, we attempt to show that the recurrence relation (ladder operator) method recently employed by Watson (2006 J. Phys. B: At. Mol. Opt. Phys. 39 1889 97) and Hey (2006 J. Phys. B: At. Mol. Opt. Phys. 39 2641 64) can be taken over into the parabolic coordinate system used to describe the Stark states of the atomic (ionic) radiators. The present method is therefore suggested as potentially useful for extending the work of Griem (1967 Astrophys. J. 148 547 58, 2005 Astrophys. J. 620 L133 4), Watson (2006), Stambulchik et al (2007 Phys. Rev. E 75 016401(9 pp) on Stark broadening in transitions between states of high principal quantum number, to physical conditions where the binary, impact approximation is no longer strictly applicable to both electron and ion perturbers. Another possible field of application is the study of Stark mixing transitions in 'ultracold' Rydberg atoms perturbed by long-range interactions with slow atoms and ions. Preparatory to the derivation of recurrence relations for states of different principal quantum number, a number of properties and recurrence relations are also found for states of identical principal quantum number, including the analogue in parabolic coordinates to the relations of Pasternack (1937 Proc. Natl Acad. Sci. USA 23 91 4, 250) in spherical polar coordinates.

Phase diagram of two-dimensional hard ellipses.

PubMed

Bautista-Carbajal, Gustavo; Odriozola, Gerardo

2014-05-28

We report the phase diagram of two-dimensional hard ellipses as obtained from replica exchange Monte Carlo simulations. The replica exchange is implemented by expanding the isobaric ensemble in pressure. The phase diagram shows four regions: isotropic, nematic, plastic, and solid (letting aside the hexatic phase at the isotropic-plastic two-step transition [E. P. Bernard and W. Krauth, Phys. Rev. Lett. 107, 155704 (2011)]). At low anisotropies, the isotropic fluid turns into a plastic phase which in turn yields a solid for increasing pressure (area fraction). Intermediate anisotropies lead to a single first order transition (isotropic-solid). Finally, large anisotropies yield an isotropic-nematic transition at low pressures and a high-pressure nematic-solid transition. We obtain continuous isotropic-nematic transitions. For the transitions involving quasi-long-range positional ordering, i.e., isotropic-plastic, isotropic-solid, and nematic-solid, we observe bimodal probability density functions. This supports first order transition scenarios.

Improved Analytical Potentials for the a ^3Σu+ and X ^1Σg+ States of {Cs_2}

NASA Astrophysics Data System (ADS)

Baldwin, Jesse; Le Roy, Robert J.

2012-06-01

Recent studies of the collisional properties of ultracold Cs atoms have led to a renewed interest in the singlet and triplet ground-state potential energy functions of Cs_2. Coxon and Hajigeorgiou recently determined an analytic potential function for the X ^1Σ_g^+ state that accurately reproduces a large body of spectroscopic data that spanned 99.45% of the potential well. However, their potential explicitly incorporates only the three leading inverse-power terms in the long-range potential, and does not distinguish between the three asymptotes associated with the different Cs atom spin states. Similarly, Xie et al. have reported two versions of an analytic potential energy function for the a ^3Σ_u^+ state that they determined from direct potential fits to emission data that spanned 93 % of its potential energy well. However, the tail of their potential function model was not constrained to have the inverse-power-sum form required by theory. Moreover, a physically correct description of cold atom collision phenomena requires the long-range inverse-power tails of these two potentials to be identical, and they are not. Thus, these functions cannot be expected to describe cold atom collision properties correctly. The present paper describes our efforts to determine improved analytic potential energy functions for these states that have identical long-range tails, and fully represent all of the spectroscopic data used in the earlier worka,b,c as well as photoassociation data that was not considered there and experimental values of the collisional scattering lengths for the two states. J. A. Coxon and P. Hajigeorgiou, J. Chem. Phys. 132, 09105 (2010). F. Xie et al. J. Chem. Phys. 130 051102 (2009). F. Xie et al. J. Chem. Phys. 135, 024303 (2011) J. G. Danzl et al., Science, 321, 1062 (2008). C. Chin, et al., Phys. Rev. Lett. 85, 2717 (2000) P. J. Leo, C. J. Williams, and P. S. Julienne, Phys. Rev. Lett. 85, 2721 (2000)

Quantum Communication Using Coherent Rejection Sampling

NASA Astrophysics Data System (ADS)

Anshu, Anurag; Devabathini, Vamsi Krishna; Jain, Rahul

2017-09-01

Compression of a message up to the information it carries is key to many tasks involved in classical and quantum information theory. Schumacher [B. Schumacher, Phys. Rev. A 51, 2738 (1995), 10.1103/PhysRevA.51.2738] provided one of the first quantum compression schemes and several more general schemes have been developed ever since [M. Horodecki, J. Oppenheim, and A. Winter, Commun. Math. Phys. 269, 107 (2007); , 10.1007/s00220-006-0118-xI. Devetak and J. Yard, Phys. Rev. Lett. 100, 230501 (2008); , 10.1103/PhysRevLett.100.230501A. Abeyesinghe, I. Devetak, P. Hayden, and A. Winter, Proc. R. Soc. A 465, 2537 (2009), 10.1098/rspa.2009.0202]. However, the one-shot characterization of these quantum tasks is still under development, and often lacks a direct connection with analogous classical tasks. Here we show a new technique for the compression of quantum messages with the aid of entanglement. We devise a new tool that we call the convex split lemma, which is a coherent quantum analogue of the widely used rejection sampling procedure in classical communication protocols. As a consequence, we exhibit new explicit protocols with tight communication cost for quantum state merging, quantum state splitting, and quantum state redistribution (up to a certain optimization in the latter case). We also present a port-based teleportation scheme which uses a fewer number of ports in the presence of information about input.

Elastic properties of dense solid phases of hard cyclic pentamers and heptamers in two dimensions.

PubMed

Wojciechowski, K W; Tretiakov, K V; Kowalik, M

2003-03-01

Systems of model planar, nonconvex, hard-body "molecules" of fivefold and sevenfold symmetry axes are studied by constant pressure Monte Carlo simulations with variable shape of the periodic box. The molecules, referred to as pentamers (heptamers), are composed of five (seven) identical hard disks "atoms" with centers forming regular pentagons (heptagons) of sides equal to the disk diameter. The elastic compliances of defect-free solid phases are computed by analysis of strain fluctuations and the reference (equilibrium) state is determined within the same run in which the elastic properties are computed. Results obtained by using pseudorandom number generators based on the idea proposed by Holian and co-workers [Holian et al., Phys. Rev. E 50, 1607 (1994)] are in good agreement with the results generated by DRAND48. It is shown that singular behavior of the elastic constants near close packing is in agreement with the free volume approximation; the coefficients of the leading singularities are estimated. The simulations prove that the highest density structures of heptamers (in which the molecules cannot rotate) are auxetic, i.e., show negative Poisson ratios.

Band Gap Distortion in Semiconductors Strongly Driven by Intense Mid-Infrared Laser Fields

NASA Astrophysics Data System (ADS)

Kono, J.; Chin, A. H.

2000-03-01

Crystalline solids non-resonantly driven by intense time-periodic electric fields are predicted to exhibit unusual band-gap distortion.(e.g., Y. Yacoby, Phys. Rev. 169, 610 (1968); L.C.M. Miranda, Solid State Commun. 45, 783 (1983); J.Z. Kaminski, Acta Physica Polonica A 83, 495(1993).) Such non-perturbative effects have not been observed to date because of the unavoidable sample damage due to the very high intensity required using conventional lasers ( 1 eV photon energy). Here, we report the first clear evidence of laser-induced bandgap shrinkage in semiconductors under intense mid-infrared (MIR) laser fields. The use of long-wavelength light reduces the required intensity and prohibits strong interband absorption, thereby avoiding the damage problem. The significant sub-bandgap absorption persists only during the existence of the MIR laser pulse, indicating the virtual nature of the effect. We show that this particular example of non-perturbative behavior, known as the dynamical Franz-Keldysh effect, occurs when the effective ponderomotive potential energy is comparable to the photon energy of the applied field. This work was supported by ONR, NSF, JST and NEDO.

Series of (2+1)-dimensional stable self-dual interacting conformal field theories

NASA Astrophysics Data System (ADS)

Cheng, Meng; Xu, Cenke

2016-12-01

Using the duality between seemingly different (2+1)-dimensional [(2 +1 )d ] conformal field theories (CFT) proposed recently [D. T. Son, Phys. Rev. X 5, 031027 (2015), 10.1103/PhysRevX.5.031027; M. A. Metlitski and A. Vishwanath, Phys. Rev. B 93, 245151 (2016), 10.1103/PhysRevB.93.245151; C. Wang and T. Senthil, Phys. Rev. X 6, 011034 (2015), 10.1103/PhysRevX.6.011034; C. Wang and T. Senthil, Phys. Rev. X 5, 041031 (2015), 10.1103/PhysRevX.5.041031; C. Wang and T. Senthil, Phys. Rev. B 93, 085110 (2016), 10.1103/PhysRevB.93.085110; C. Xu and Y.-Z. You, Phys. Rev. B 92, 220416 (2015), 10.1103/PhysRevB.92.220416; D. F. Mross et al., Phys. Rev. Lett. 117, 016802 (2016), 10.1103/PhysRevLett.117.016802; A. Karch and D. Tong, arXiv:1606.01893; N. Seiberg et al., arXiv:1606.01989; P.-S. Hsin and N. Seiberg, arXiv:1607.07457], we study a series of (2 +1 )d stable self-dual interacting CFTs. These CFTs can be realized (for instance) on the boundary of the 3 d bosonic topological insulator protected by U(1) and time-reversal symmetry (T ), and they remain stable as long as these symmetries are preserved. When realized as a boundary system, these CFTs can be driven into anomalous fractional quantum Hall states once T is broken. We demonstrate that the newly proposed dualities allow us to study these CFTs quantitatively through a controlled calculation, without relying on a large flavor number of matter fields. We also propose a numerical test for our results, which would provide strong evidence for the originally proposed duality between Dirac fermion and QED.

On the calculation of line strengths, oscillator strengths and lifetimes for very large principal quantum numbers in hydrogenic atoms and ions by the McLean-Watson formula

NASA Astrophysics Data System (ADS)

Hey, J. D.

2014-08-01

As a sequel to an earlier study (Hey 2009 J. Phys. B: At. Mol. Opt. Phys. 42 125701), we consider further the application of the line strength formula derived by Watson (2006 J. Phys. B: At. Mol. Opt. Phys. 39 L291) to transitions arising from states of very high principal quantum number in hydrogenic atoms and ions (Rydberg-Rydberg transitions, n > 1000). It is shown how apparent difficulties associated with the use of recurrence relations, derived (Hey 2006 J. Phys. B: At. Mol. Opt. Phys. 39 2641) by the ladder operator technique of Infeld and Hull (1951 Rev. Mod. Phys. 23 21), may be eliminated by a very simple numerical device, whereby this method may readily be applied up to n ≈ 10 000. Beyond this range, programming of the method may entail greater care and complexity. The use of the numerically efficient McLean-Watson formula for such cases is again illustrated by the determination of radiative lifetimes and comparison of present results with those from an asymptotic formula. The question of the influence on the results of the omission or inclusion of fine structure is considered by comparison with calculations based on the standard Condon-Shortley line strength formula. Interest in this work on the radial matrix elements for large n and n‧ is related to measurements of radio recombination lines from tenuous space plasmas, e.g. Stepkin et al (2007 Mon. Not. R. Astron. Soc. 374 852), Bell et al (2011 Astrophys. Space Sci. 333 377), to the calculation of electron impact broadening parameters for such spectra (Watson 2006 J. Phys. B: At. Mol. Opt. Phys. 39 1889) and comparison with other theoretical methods (Peach 2014 Adv. Space Res. in press), to the modelling of physical processes in H II regions (Roshi et al 2012 Astrophys. J. 749 49), and the evaluation bound-bound transitions from states of high n during primordial cosmological recombination (Grin and Hirata 2010 Phys. Rev. D 81 083005, Ali-Haïmoud and Hirata 2010 Phys. Rev. D 82 063521, Ali-Haïmoud 2013 Phys. Rev. D 87 023526).

A Converse Approach to NMR Chemical Shifts for Norm-Conserving Pseudopotentials

NASA Astrophysics Data System (ADS)

Lopez, Graham; Ceresoli, Davide; Marzari, Nicola; Thonhauser, Timo

2010-03-01

Building on the recently developed converse approach for the ab-initio calculation of NMR chemical shifts [1], we present a corresponding framework that is suitable in connection with norm-conserving pseudopotentials. Our approach uses the GIPAW transformation [2] to set up a formalism where the derivative of the orbital magnetization [3] is taken with respect to a microscopic, localized magnetic dipole in the presence of pseudopotentials. The advantages of our method are that it is conceptually simple, the need for a linear-response framework is avoided, and it is applicable to large systems. We present results for calculations of several well-studied systems, including the carbon, hydrogen, fluorine, and phosphorus shifts in various molecules and solids. Our results are in very good agreement with both linear-response calculations and experimental results.[4pt] [1] T. Thonhauser et al., J. Chem. Phys. 131, 101101 (2009).[2] C. J. Pickard and F. Mauri, Phys. Rev. B 63, 245101 (2001).[3] T. Thonhauser et al., Phys. Rev. Lett. 95, 137205 (2005).

Thermodynamics of quantum spacetime histories

NASA Astrophysics Data System (ADS)

Smolin, Lee

2017-11-01

We show that the simplicity constraints, which define the dynamics of spin foam models, imply, and are implied by, the first law of thermodynamics, when the latter is applied to causal diamonds in the quantum spacetime. This result reveals an intimate connection between the holographic nature of gravity, as reflected by the Bekenstein entropy, and the fact that general relativity and other gravitational theories can be understood as constrained topological field theories. To state and derive this correspondence we describe causal diamonds in the causal structure of spin foam histories and generalize arguments given for the near horizon region of black holes by Frodden, Gosh and Perez [Phys. Rev. D 87, 121503 (2013); , 10.1103/PhysRevD.87.121503Phys. Rev. D 89, 084069 (2014); , 10.1103/PhysRevD.89.084069Phys. Rev. Lett. 107, 241301 (2011); , 10.1103/PhysRevLett.107.241301Phys. Rev. Lett.108, 169901(E) (2012)., 10.1103/PhysRevLett.108.169901] and Bianchi [arXiv:1204.5122.]. This allows us to apply a recent argument of Jacobson [Phys. Rev. Lett. 116, 201101 (2016).10.1103/PhysRevLett.116.201101] to show that if a spin foam history has a semiclassical limit described in terms of a smooth metric geometry, that geometry satisfies the Einstein equations. These results suggest also a proposal for a quantum equivalence principle.

Freezing of soft spheres: A critical test for weighted-density-functional theories

NASA Astrophysics Data System (ADS)

Laird, Brian B.; Kroll, D. M.

1990-10-01

We study the freezing properties of systems with inverse-power and Yukawa interactions (soft spheres), using recently developed weighted-density-functional theories. We find that the modified weighted-density-functional approximation (MWDA) of Denton and Ashcroft yields results for the liquid to face-centered-cubic (fcc) structure transition that represent a significant improvement over those of earlier ``second-order'' density-functional freezing theories; however, this theory, like the earlier ones, fails to predict any liquid to body-centered-cubic (bcc) transition, even under conditions where the computer simulations indicate that this should be the equilibrium solid structure. In addition, we show that both the modified effective-liquid approximation (MELA) of Baus [J. Phys. Condens. Matter 2, 2111 (1990)] and the generalized effective-liquid approximation of Lutsko and Baus [Phys. Rev. Lett. 64, 761 (1990)], while giving excellent results for the freezing of hard spheres, fail completely to predict freezing into either fcc or bcc solid phases for soft inverse-power potentials. We also give an alternate derivation of the MWDA that makes clearer its connection to earlier theories.

Distinguishing computable mixtures of quantum states

NASA Astrophysics Data System (ADS)

Grande, Ignacio H. López; Senno, Gabriel; de la Torre, Gonzalo; Larotonda, Miguel A.; Bendersky, Ariel; Figueira, Santiago; Acín, Antonio

2018-05-01

In this article we extend results from our previous work [Bendersky et al., Phys. Rev. Lett. 116, 230402 (2016), 10.1103/PhysRevLett.116.230402] by providing a protocol to distinguish in finite time and with arbitrarily high success probability any algorithmic mixture of pure states from the maximally mixed state. Moreover, we include an experimental realization, using a modified quantum key distribution setup, where two different random sequences of pure states are prepared; these sequences are indistinguishable according to quantum mechanics, but they become distinguishable when randomness is replaced with pseudorandomness within the experimental preparation process.

Generation of Path-Encoded Greenberger-Horne-Zeilinger States

NASA Astrophysics Data System (ADS)

Bergamasco, N.; Menotti, M.; Sipe, J. E.; Liscidini, M.

2017-11-01

We study the generation of Greenberger-Horne-Zeilinger (GHZ) states of three path-encoded photons. Inspired by the seminal work of Bouwmeester et al. [Phys. Rev. Lett. 82, 1345 (1999), 10.1103/PhysRevLett.82.1345] on polarization-entangled GHZ states, we find a corresponding path representation for the photon states of an optical circuit, identify the elements required for the state generation, and propose a possible implementation of our strategy. Besides the practical advantage of employing an integrated system that can be fabricated with proven lithographic techniques, our example suggests that it is possible to enhance the generation efficiency by using microring resonators.

Controlled Neutralization of Anions in Cryogenic Matrices by Near-Threshold Photodetachment

NASA Astrophysics Data System (ADS)

Ludwig, Ryan M.; Moore, David T.

2014-06-01

Using matrix isolation FTIR, we have observed the formation of anionic copper carbonyl complexes [Cu(CO)n]- (n=1-3) following co-deposition of Cu- and counter-cations (Ar+ or Kr+) into argon matrices doped with CO. The infrared bands have been previously assigned in argon matrix studies employing laser ablation, however they were quite weak compared to the bands for the corresponding neutral species. In the current study, when the deposition is carried out in fully darkened conditions at 10 K with high CO concentrations (1-2%), only the bands for the anionic complexes are observed initially via FTIR. However, upon mild irradiation with broadband visible light, the anionic bands are rapidly depleted, with concomitant appearance of bands corresponding to neutral copper carbonyl complexes. This photo-triggered neutralization is attributed to photodetachment of electrons from the anions, which then "flow" through the solid argon matrix to recombine in the matrix with non-adjacent trapping sites. This mechanism is supported by the appearance of a new band near 1515 wn, assigned to the (CO)2- species in argon. The wavelength dependence of the photodetachment will be discussed in detail, although preliminary indications are that the thresholds for the copper carbonyls, which are normally in the infrared, are shifted into the visible region of the spectrum in argon matrices. This likely occurs because the conduction band of solid argon is known to lie about 1 eV above the vacuum level, and thus the electron must have at least this much energy in order to escape into the matrix and find a trapping site. Funding support from NSF CAREER Award CHE-0955637 is gratefully acknowledged Ryan M. Ludwig and David T. Moore, J. Chem. Phys. 139, 244202 (2013) Zhou, M.; Andrews, L., J. Chem. Phys. 111, 4548 (1999). Thompson, W.E.; Jacox, M.E.; J. Chem. Phys. 91, 735 (1991). Stanzel, J. et al.; Collect. Czech. Chem. Comm. 72, 1 (2007). Harbich, W. et al.; Phys. Rev. B. 76, 104306 (2007).

Rayleigh-Taylor instability in accelerated elastic-solid slabs

NASA Astrophysics Data System (ADS)

Piriz, S. A.; Piriz, A. R.; Tahir, N. A.

2017-12-01

We develop the linear theory for the asymptotic growth of the incompressible Rayleigh-Taylor instability of an accelerated solid slab of density ρ2, shear modulus G , and thickness h , placed over a semi-infinite ideal fluid of density ρ1<ρ2 . It extends previous results for Atwood number AT=1 [B. J. Plohr and D. H. Sharp, Z. Angew. Math. Phys. 49, 786 (1998), 10.1007/s000330050121] to arbitrary values of AT and unveil the singular feature of an instability threshold below which the slab is stable for any perturbation wavelength. As a consequence, an accelerated elastic-solid slab is stable if ρ2g h /G ≤2 (1 -AT) /AT .

Crack Tip Dislocation Nucleation in FCC Solids

NASA Astrophysics Data System (ADS)

Knap, J.; Sieradzki, K.

1999-02-01

We present results of molecular dynamic simulations aimed at examining crack tip dislocation emission in fcc solids. The results are analyzed in terms of recent continuum formulations of this problem. In mode II, Au, Pd, and Pt displayed a new unanticipated mechanism of crack tip dislocation emission involving the creation of a pair of Shockley partials on a slip plane one plane below the crack plane. In mode I, for all the materials examined, Rice's continuum formulation [J. Mech. Phys. Solids 40, 239 (1992)] underestimated the stress intensity for dislocation emission by almost a factor of 2. Surface stress corrections to the emission criterion brought the agreement between continuum predictions and simulations to within 20%.

Three dimensional atom-diatom quantum reactive scattering calculations using absorbing potential: speed up of the propagation scheme.

PubMed

Stoecklin, T

2008-09-01

In this paper a new propagation scheme is proposed for atom-diatom reactive calculations using a negative imaginary potential (NIP) within a time independent approach. It is based on the calculation of a rotationally adiabatic basis set, the neglected coupling terms being re-added in the following step of the propagation. The results of this approach, which we call two steps rotationally adiabatic coupled states calculations (2-RACS), are compared to those obtained using the adiabatic DVR method (J. C. Light and Z. Bazic, J. Chem. Phys., 1987, 87, 4008; C. Leforestier, J. Chem. Phys., 1991, 94, 6388), to the NIP coupled states results of the team of Baer (D. M. Charutz, I. Last and M. Baer, J. Chem. Phys., 1997, 106, 7654) and to the exact results obtained by Zhang (J. Z. H. Zhang and W. H. Miller, J. Chem. Phys., 1989, 91, 1528) for the D + H(2) reaction. The example of implementation of our method of computation of the adiabatic basis will be given here in the coupled states approximation, as this method has proved to be very efficient in many cases and is quite fast.

Activation energies for the ν=5/2 Fractional Quantum Hall Effect at 10 Tesla

NASA Astrophysics Data System (ADS)

Zhang, Chi; Du, R. R.; Pfeiffer, L. N.; West, K. W.

2010-03-01

We reported on the low-temperature magnetotransport in a high-purity (mobility ˜ 1x10^7cm^2/Vs) modulation-doped GaAs/AlGaAs quantum well with a high electron density (6x10^11 cm-2). A quantized ν=5/2 Hall plateau is observed at B ˜ 10 T, with an activation gap δ5/2˜ 125±10 mK; the plateau can persist up to ˜ 25^o tilt-field. We determined the activation energies δ and quasi-gap energies δ^quasi for the ν=5/2, 7/3, and 8/3 fractional quantum Hall states in tilted-magnetic field (θ). The δ5/2, δ7/3 and the δ5/2^quasi , δ7/3^quasi are found to decrease in θ. We will present the systematic data and discuss their implications on the spin-polarization of ν=5/2 states observed at 10 T.[4pt] [1] R. Willett, Phys. Rev. Lett. 59, 1776 (1987).[0pt] [2] W. Pan et al, Solid State Commun. 119, 641 (2001).

Reply to "Comment on `Flow of wet granular materials: A numerical study' "

NASA Astrophysics Data System (ADS)

Khamseh, Saeed; Roux, Jean-Noël; Chevoir, François

2017-07-01

In his Comment on our paper [Phys. Rev. E 92, 022201 (2015), 10.1103/PhysRevE.92.022201], Chareyre criticizes, as inaccurate, the simple approach we adopted to explain the strong enhancement of the quasistatic shear strength of the material caused by capillary cohesion. He also observes that a similar form of the "effective stress" approach, accounting for the capillary shear stress, which we neglected, results in a quantitatively correct prediction of this yield stress. We agree with these remarks, which we deem quite relevant and valuable. We nevertheless point out that the initial approximation, despite ˜25 % errors on shear strength in the worst cases, provides a convenient estimate of the Mohr-Coulomb cohesion of the material, which is directly related to the coordination number. We argue that the effective stress assumption, despite its surprising success in the range of states explored in Khamseh et al. [Phys. Rev. E 92, 022201 (2015), 10.1103/PhysRevE.92.022201], is bound to fail in strongly cohesion-dominated material states.

Theoretical approach to the ground state of spherically confined Yukawa plasmas

NASA Astrophysics Data System (ADS)

Henning, Christian; Bonitz, Michael; Piel, Alexander; Ludwig, Patrick; Baumgartner, Henning

2007-11-01

Recently spherical 3D dust crystals (aka Yukawa balls) were discovered [1], which allow direct observation of strong correlation phenomena and the structure of which is well explained by computer simulations of charged Yukawa interacting particles within an external parabolic confinement [2]. Here we present an analytical approach to the ground state of these systems using the minimization of the system's energy. Applying the non-local mean-field approximation we show that screening has a dramatic effect on the density profile, which can be derived explicitly [3]. In addition the local density approximation allows for the inclusion of correlations, which further improves the results in the regime of large screening [4]. Comparisons with MD simulations of Yukawa balls show excellent agreement.[1] O. Arp et al. Phys. Rev. Lett. 93, 165004 (2004)[2] M. Bonitz et al., Phys. Rev. Lett. 96, 075001 (2006)[3] C. Henning et al., Phys. Rev. E 74, 056403 (2006)[4] C. Henning at al., Phys. Rev. E (2007)

Comment on 'Direct observation of the {sup 2}D{sub 3/2}-{sup 2}D{sub 5/2} ground-state splitting in Xe{sup 9+}''

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

Biedermann, C.; Radtke, R.

2007-06-15

We have found that xenon in different charge states, namely, Xe{sup 9+} and Xe{sup 31+}, can contribute to the radiation in the 598 nm spectral range. Our observation resolves the discrepancy of line identification given by Takacs et al. [Phys. Rev. A 73, 052505 (2006)] and Crespo et al. [Can. J. Phys. 80, 1687 (2002)].

Squashed Entanglement, k-Extendibility, Quantum Markov Chains, and Recovery Maps

NASA Astrophysics Data System (ADS)

Li, Ke; Winter, Andreas

2018-02-01

Squashed entanglement (Christandl and Winter in J. Math. Phys. 45(3):829-840, 2004) is a monogamous entanglement measure, which implies that highly extendible states have small value of the squashed entanglement. Here, invoking a recent inequality for the quantum conditional mutual information (Fawzi and Renner in Commun. Math. Phys. 340(2):575-611, 2015) greatly extended and simplified in various work since, we show the converse, that a small value of squashed entanglement implies that the state is close to a highly extendible state. As a corollary, we establish an alternative proof of the faithfulness of squashed entanglement (Brandão et al. Commun. Math. Phys. 306:805-830, 2011). We briefly discuss the previous and subsequent history of the Fawzi-Renner bound and related conjectures, and close by advertising a potentially far-reaching generalization to universal and functorial recovery maps for the monotonicity of the relative entropy.

Squeezing with a flux-driven Josephson parametric amplifier

NASA Astrophysics Data System (ADS)

Menzel, E. P.; Zhong, L.; Eder, P.; Baust, A.; Haeberlein, M.; Hoffmann, E.; Deppe, F.; Marx, A.; Gross, R.; di Candia, R.; Solano, E.; Ihmig, M.; Inomata, K.; Yamamoto, T.; Nakamura, Y.

2014-03-01

Josephson parametric amplifiers (JPA) are promising devices for the implementation of continuous-variable quantum communication protocols. Operated in the phase-sensitive mode, they allow for amplifying a single quadrature of the electromagnetic field without adding any noise. While in practice internal losses introduce a finite amount of noise, our device still adds less noise than an ideal phase-insensitive amplifier. This property is a prerequisite for the generation of squeezed states. In this work, we reconstruct the Wigner function of squeezed vacuum, squeezed thermal and squeezed coherent states with our dual-path method [L. Zhong et al. arXiv:1307.7285 (2013); E. P. Menzel et al. Phys. Rev. Lett. 105 100401 (2010)]. In addition, we illuminate the physics of squeezed coherent microwave fields. This work is supported by SFB 631, German Excellence Initiative via NIM, EU projects SOLID, CCQED, PROMISCE and SCALEQIT, MEXT Kakenhi ``Quantum Cybernetics,'' JSPS FIRST Program, the NICT Commissioned Research, Basque Government IT472-10, Spanish MINECO FIS2012-36673-C03-02, and UPV/EHU UFI 11/55.

Rydberg dressing of atoms in optical lattices

NASA Astrophysics Data System (ADS)

Macrı, T.; Pohl, T.

2014-01-01

We study atoms in optical lattices whose electronic ground state is off-resonantly coupled to a highly excited state with strong binary interactions. We present a time-dependent treatment of the resulting quantum dynamics, which—contrary to recent predictions [36 Li, Ates, and Lesanovsky, Phys. Rev. Lett. 110, 213005 (2013), 10.1103/PhysRevLett.110.213005]—proves that the strong repulsion between the weakly admixed Rydberg states does not lead to atomic trap loss. This finding provides an important basis for creating and manipulating coherent long-range interactions in optical lattice experiments.

The Nagaoka state and its stability in the one-band Hubbard model

NASA Astrophysics Data System (ADS)

Shen, Shun-Qing; Qiu, Zhao-Ming; Tian, Guang-Shan

1993-07-01

In this article, we discuss the stability of the Nagaoka state with an infinite number of holes in the infinite- U Hubbard model. We shall rigorously show that the Nagaoka state is stable if the total number of holes Nh ≈ Nα∧ with O⩽α<2/ ( d+2) as the number of lattice sites N∧ tends to infinity. Our theorem improves greatly the previous results obtained by Barbieri et al. [Phys. Rev. B 41 (1990) 11697] and by Tian [Phys. Rev. B 44 (1991) 4444].

Quantum Communication Using Coherent Rejection Sampling.

PubMed

Anshu, Anurag; Devabathini, Vamsi Krishna; Jain, Rahul

2017-09-22

Compression of a message up to the information it carries is key to many tasks involved in classical and quantum information theory. Schumacher [B. Schumacher, Phys. Rev. A 51, 2738 (1995)PLRAAN1050-294710.1103/PhysRevA.51.2738] provided one of the first quantum compression schemes and several more general schemes have been developed ever since [M. Horodecki, J. Oppenheim, and A. Winter, Commun. Math. Phys. 269, 107 (2007); CMPHAY0010-361610.1007/s00220-006-0118-xI. Devetak and J. Yard, Phys. Rev. Lett. 100, 230501 (2008); PRLTAO0031-900710.1103/PhysRevLett.100.230501A. Abeyesinghe, I. Devetak, P. Hayden, and A. Winter, Proc. R. Soc. A 465, 2537 (2009)PRLAAZ1364-502110.1098/rspa.2009.0202]. However, the one-shot characterization of these quantum tasks is still under development, and often lacks a direct connection with analogous classical tasks. Here we show a new technique for the compression of quantum messages with the aid of entanglement. We devise a new tool that we call the convex split lemma, which is a coherent quantum analogue of the widely used rejection sampling procedure in classical communication protocols. As a consequence, we exhibit new explicit protocols with tight communication cost for quantum state merging, quantum state splitting, and quantum state redistribution (up to a certain optimization in the latter case). We also present a port-based teleportation scheme which uses a fewer number of ports in the presence of information about input.

Rough viscoelastic sliding contact: Theory and experiments

NASA Astrophysics Data System (ADS)

Carbone, G.; Putignano, C.

2014-03-01

In this paper, we show how the numerical theory introduced by the authors [Carbone and Putignano, J. Mech. Phys. Solids 61, 1822 (2013), 10.1016/j.jmps.2013.03.005] can be effectively employed to study the contact between viscoelastic rough solids. The huge numerical complexity is successfully faced up by employing the adaptive nonuniform mesh developed by the authors in Putignano et al. [J. Mech. Phys. Solids 60, 973 (2012), 10.1016/j.jmps.2012.01.006]. Results mark the importance of accounting for viscoelastic effects to correctly simulate the sliding rough contact. In detail, attention is, first, paid to evaluate the viscoelastic dissipation, i.e., the viscoelastic friction. Fixed the sliding speed and the normal load, friction is completely determined. Furthermore, since the methodology employed in the work allows to study contact between real materials, a comparison between experimental outcomes and numerical prediction in terms of viscoelastic friction is shown. The good agreement seems to validate—at least partially—the presented methodology. Finally, it is shown that viscoelasticity entails not only the dissipative effects previously outlined, but is also strictly related to the anisotropy of the contact solution. Indeed, a marked anisotropy is present in the contact region, which results stretched in the direction perpendicular to the sliding speed. In the paper, the anisotropy of the deformed surface and of the contact area is investigated and quantified.

System-spanning dynamically jammed region in response to impact of cornstarch and water suspensions

NASA Astrophysics Data System (ADS)

Allen, Benjamin; Sokol, Benjamin; Mukhopadhyay, Shomeek; Maharjan, Rijan; Brown, Eric

2018-05-01

We experimentally characterize the structure of concentrated suspensions of cornstarch and water in response to impact. Using surface imaging and particle tracking at the boundary opposite the impactor, we observed that a visible structure and particle flow at the boundary occur with a delay after impact. We show the delay time is about the same time as the strong stress response, confirming that the strong stress response results from deformation of the dynamically jammed structure once it spans between the impactor and a solid boundary. A characterization of this strong stress response is reported in a companion paper [Maharjan, Mukhopadhyay, Allen, Storz, and Brown, Phys. Rev. E 97, 052602 (2018), 10.1103/PhysRevE.97.052602]. We observed particle flow in the outer part of the dynamically jammed region at the bottom boundary, with a net transverse displacement of up to about 5% of the impactor displacement, indicating shear at the boundary. Direct imaging of the surface of the outer part of the dynamically jammed region reveals a change in surface structure that appears the same as the result of dilation in other cornstarch suspensions. Imaging also reveals cracks, like a brittle solid. These observations suggest the dynamically jammed structure can temporarily support stress according to an effective modulus, like a soil or dense granular material, along a network of frictional contacts between the impactor and solid boundary.

Diabat Interpolation for Polymorph Free-Energy Differences.

PubMed

Kamat, Kartik; Peters, Baron

2017-02-02

Existing methods to compute free-energy differences between polymorphs use harmonic approximations, advanced non-Boltzmann bias sampling techniques, and/or multistage free-energy perturbations. This work demonstrates how Bennett's diabat interpolation method ( J. Comput. Phys. 1976, 22, 245 ) can be combined with energy gaps from lattice-switch Monte Carlo techniques ( Phys. Rev. E 2000, 61, 906 ) to swiftly estimate polymorph free-energy differences. The new method requires only two unbiased molecular dynamics simulations, one for each polymorph. To illustrate the new method, we compute the free-energy difference between face-centered cubic and body-centered cubic polymorphs for a Gaussian core solid. We discuss the justification for parabolic models of the free-energy diabats and similarities to methods that have been used in studies of electron transfer.

Minimum-error quantum distinguishability bounds from matrix monotone functions: A comment on 'Two-sided estimates of minimum-error distinguishability of mixed quantum states via generalized Holevo-Curlander bounds' [J. Math. Phys. 50, 032106 (2009)

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

Tyson, Jon

2009-06-15

Matrix monotonicity is used to obtain upper bounds on minimum-error distinguishability of arbitrary ensembles of mixed quantum states. This generalizes one direction of a two-sided bound recently obtained by the author [J. Tyson, J. Math. Phys. 50, 032106 (2009)]. It is shown that the previously obtained special case has unique properties.

Photoluminescence Studies on InAs/InSb Nanostructures Grown by MBE

DTIC Science & Technology

2000-06-23

temperatures [61. One should stress especially that the main problem here is intermixing of group V elements at the interfaces. Since we used conventional solid...Nicolas, N. J. Mason and B. Zhang, Appl. Phys. Let. 74, 2041 (1999). [5] N. Bertru, A. Baranov, Y. Cuminal , G. Almuneau, F. Genty, A. Joullie, 0. Brandt, A

Tribology of the lubricant quantized sliding state.

PubMed

Castelli, Ivano Eligio; Capozza, Rosario; Vanossi, Andrea; Santoro, Giuseppe E; Manini, Nicola; Tosatti, Erio

2009-11-07

In the framework of Langevin dynamics, we demonstrate clear evidence of the peculiar quantized sliding state, previously found in a simple one-dimensional boundary lubricated model [A. Vanossi et al., Phys. Rev. Lett. 97, 056101 (2006)], for a substantially less idealized two-dimensional description of a confined multilayer solid lubricant under shear. This dynamical state, marked by a nontrivial "quantized" ratio of the averaged lubricant center-of-mass velocity to the externally imposed sliding speed, is recovered, and shown to be robust against the effects of thermal fluctuations, quenched disorder in the confining substrates, and over a wide range of loading forces. The lubricant softness, setting the width of the propagating solitonic structures, is found to play a major role in promoting in-registry commensurate regions beneficial to this quantized sliding. By evaluating the force instantaneously exerted on the top plate, we find that this quantized sliding represents a dynamical "pinned" state, characterized by significantly low values of the kinetic friction. While the quantized sliding occurs due to solitons being driven gently, the transition to ordinary unpinned sliding regimes can involve lubricant melting due to large shear-induced Joule heating, for example at large speed.

Bell nonlocality and fully entangled fraction measured in an entanglement-swapping device without quantum state tomography

NASA Astrophysics Data System (ADS)

Bartkiewicz, Karol; Lemr, Karel; Černoch, Antonín; Miranowicz, Adam

2017-03-01

We propose and experimentally implement an efficient procedure based on entanglement swapping to determine the Bell nonlocality measure of Horodecki et al. [Phys. Lett. A 200, 340 (1995), 10.1016/0375-9601(95)00214-N] and the fully entangled fraction of Bennett et al. [Phys. Rev. A 54, 3824 (1996), 10.1103/PhysRevA.54.3824] of an arbitrary two-qubit polarization-encoded state. The nonlocality measure corresponds to the amount of the violation of the Clauser-Horne-Shimony-Holt (CHSH) optimized over all measurement settings. By using simultaneously two copies of a given state, we measure directly only six parameters. This is an experimental determination of these quantities without quantum state tomography or continuous monitoring of all measurement bases in the usual CHSH inequality tests. We analyze how well the measured degrees of Bell nonlocality and other entanglement witnesses (including the fully entangled fraction and a nonlinear entropic witness) of an arbitrary two-qubit state can estimate its entanglement. In particular, we measure these witnesses and estimate the negativity of various two-qubit Werner states. Our approach could especially be useful for quantum communication protocols based on entanglement swapping.

Equations of state and diagrams of two-dimensional liquid dusty plasmas

NASA Astrophysics Data System (ADS)

Feng, Yan; Lin, Wei; Li, Wei; Wang, Qiaoling

2016-09-01

Recently, the pressure of two-dimensional (2D) Yukawa liquids has been calculated from the simulations of isochores [Feng et al., J. Phys. D: Appl. Phys. 49, 235203 (2016)], which is applicable to 2D dusty plasmas. Thus, the equation of state for 2D strongly coupled liquid dusty plasmas is obtained. Isobars and isotherms of 2D liquid dusty plasmas are derived from this equation of state. For 2D liquid dusty plasmas, the surface corresponding to this equation of state has also been obtained in the 3D space of the pressure, the temperature, and the screening parameter which is related to the volume in the equilibrium state.

A spin-orbit coupling for a neutral particle from Lorentz symmetry breaking effects in the CPT-odd sector of the Standard Model Extension

NASA Astrophysics Data System (ADS)

Belich, H.; Bakke, K.

2015-07-01

We start by investigating the arising of a spin-orbit coupling and a Darwin-type term that stem from Lorentz symmetry breaking effects in the CPT-odd sector of the Standard Model Extension. Then, we establish a possible scenario of the violation of the Lorentz symmetry that gives rise to a linear confining potential and an effective electric field in which determines the spin-orbit coupling for a neutral particle analogous to the Rashba coupling [E. I. Rashba, Sov. Phys. Solid State 2, 1109 (1960)]. Finally, we confine the neutral particle to a quantum dot [W.-C. Tan and J. C. Inkson, Semicond. Sci. Technol. 11, 1635 (1996)] and analyze the influence of the linear confining potential and the spin-orbit coupling on the spectrum of energy.

Revised Geometric Measure of Entanglement in Infinite Dimensional Multipartite Quantum Systems

NASA Astrophysics Data System (ADS)

Wang, Yinzhu; Wang, Danxia; Huang, Li

2018-05-01

In Cao and Wang (J. Phys.: Math. Theor. 40, 3507-3542, 2007), the revised geometric measure of entanglement (RGME) for states in finite dimensional bipartite quantum systems was proposed. Furthermore, in Cao and Wang (Commun. Theor. Phys. 51(4), 613-620, 2009), the authors obtained the revised geometry measure of entanglement for multipartite states including three-qubit GHZ state, W state, and the generalized Smolin state in the presence of noise and the two-mode squeezed thermal state, and defined the Gaussian geometric entanglement measure. In this paper, we generalize the RGME to infinite dimensional multipartite quantum systems, and prove that this measure satisfies some necessary properties as a well-defined entanglement measure, including monotonicity under local operations and classical communications.

Superposing pure quantum states with partial prior information

NASA Astrophysics Data System (ADS)

Dogra, Shruti; Thomas, George; Ghosh, Sibasish; Suter, Dieter

2018-05-01

The principle of superposition is an intriguing feature of quantum mechanics, which is regularly exploited in many different circumstances. A recent work [M. Oszmaniec et al., Phys. Rev. Lett. 116, 110403 (2016), 10.1103/PhysRevLett.116.110403] shows that the fundamentals of quantum mechanics restrict the process of superimposing two unknown pure states, even though it is possible to superimpose two quantum states with partial prior knowledge. The prior knowledge imposes geometrical constraints on the choice of input states. We discuss an experimentally feasible protocol to superimpose multiple pure states of a d -dimensional quantum system and carry out an explicit experimental realization for two single-qubit pure states with partial prior information on a two-qubit NMR quantum information processor.

Statistical mechanical theory for steady state systems. VI. Variational principles

NASA Astrophysics Data System (ADS)

Attard, Phil

2006-12-01

Several variational principles that have been proposed for nonequilibrium systems are analyzed. These include the principle of minimum rate of entropy production due to Prigogine [Introduction to Thermodynamics of Irreversible Processes (Interscience, New York, 1967)], the principle of maximum rate of entropy production, which is common on the internet and in the natural sciences, two principles of minimum dissipation due to Onsager [Phys. Rev. 37, 405 (1931)] and to Onsager and Machlup [Phys. Rev. 91, 1505 (1953)], and the principle of maximum second entropy due to Attard [J. Chem.. Phys. 122, 154101 (2005); Phys. Chem. Chem. Phys. 8, 3585 (2006)]. The approaches of Onsager and Attard are argued to be the only viable theories. These two are related, although their physical interpretation and mathematical approximations differ. A numerical comparison with computer simulation results indicates that Attard's expression is the only accurate theory. The implications for the Langevin and other stochastic differential equations are discussed.

Quantum State Tomography of a Fiber-Based Source of Polarization-Entangled Photon Pairs

DTIC Science & Technology

2007-12-20

Processing 175−179 (IEEE, Bangalore, 1984). 4. A. K. Ekert, “ Quantum cryptography based on Bell’s theorem ,” Phys. Rev. Lett. 67, 661–663 (1991). 5...NUMBERS Quantum State Tomography of a Fiber- Based Source of MURI Center for Photonic Quantum Information Systems: AROIARDA Program Polarization...Computer Society Press, Los Alamitos, 1996). 7. N. Gisin, G. Ribordy, W. Tittel, and H. Zbinden, “ Quantum cryptography ,” Rev. Mod. Phys. 74, 145

Generalized Kubo formulas for the transport properties of incommensurate 2D atomic heterostructures

NASA Astrophysics Data System (ADS)

Cancès, Eric; Cazeaux, Paul; Luskin, Mitchell

2017-06-01

We give an exact formulation for the transport coefficients of incommensurate two-dimensional atomic multilayer systems in the tight-binding approximation. This formulation is based upon the C* algebra framework introduced by Bellissard and collaborators [Coherent and Dissipative Transport in Aperiodic Solids, Lecture Notes in Physics (Springer, 2003), Vol. 597, pp. 413-486 and J. Math. Phys. 35(10), 5373-5451 (1994)] to study aperiodic solids (disordered crystals, quasicrystals, and amorphous materials), notably in the presence of magnetic fields (quantum Hall effect). We also present numerical approximations and test our methods on a one-dimensional incommensurate bilayer system.

The Shock and Vibration Bulletin: Proceedings on the Symposium on ShocK and Vibration (52nd) Held in New Orleans, Louisiana on 26-28 October 1981. Part 4. Fatigue and Random Loading Control, Isolation and Damping

DTIC Science & Technology

1982-05-01

functions for every ergodic ensemble or process, but this frequency for each time-acceleration involves in principle a different kind data input, but...geometries Journal Phys. E: Sci. Instrum. 14, (solid and hollow) are different . 202-207. 5. CONCLUSION It has been shown in principle that tests with a...Center, Huntsville, AL SPACE SIIUI’LE SOLID ROCKE FIOOSTEIt WATER ENTRY CAVITY COLLAPSE LOADS I. T. Keefe and E. A. Rawls , Chrysler Corporation, Slidell

Optimal Universal Uncertainty Relations

PubMed Central

Li, Tao; Xiao, Yunlong; Ma, Teng; Fei, Shao-Ming; Jing, Naihuan; Li-Jost, Xianqing; Wang, Zhi-Xi

2016-01-01

We study universal uncertainty relations and present a method called joint probability distribution diagram to improve the majorization bounds constructed independently in [Phys. Rev. Lett. 111, 230401 (2013)] and [J. Phys. A. 46, 272002 (2013)]. The results give rise to state independent uncertainty relations satisfied by any nonnegative Schur-concave functions. On the other hand, a remarkable recent result of entropic uncertainty relation is the direct-sum majorization relation. In this paper, we illustrate our bounds by showing how they provide a complement to that in [Phys. Rev. A. 89, 052115 (2014)]. PMID:27775010

Communication: A combined periodic density functional and incremental wave-function-based approach for the dispersion-accounting time-resolved dynamics of ⁴He nanodroplets on surfaces: ⁴He/graphene.

PubMed

de Lara-Castells, María Pilar; Stoll, Hermann; Civalleri, Bartolomeo; Causà, Mauro; Voloshina, Elena; Mitrushchenkov, Alexander O; Pi, Martí

2014-10-21

In this work we propose a general strategy to calculate accurate He-surface interaction potentials. It extends the dispersionless density functional approach recently developed by Pernal et al. [Phys. Rev. Lett. 103, 263201 (2009)] to adsorbate-surface interactions by including periodic boundary conditions. We also introduce a scheme to parametrize the dispersion interaction by calculating two- and three-body dispersion terms at coupled cluster singles and doubles and perturbative triples (CCSD(T)) level via the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)]. The performance of the composite approach is tested on (4)He/graphene by determining the energies of the low-lying selective adsorption states, finding an excellent agreement with the best available theoretical data. Second, the capability of the approach to describe dispersionless correlation effects realistically is used to extract dispersion effects in time-dependent density functional simulations on the collision of (4)He droplets with a single graphene sheet. It is found that dispersion effects play a key role in the fast spreading of the (4)He nanodroplet, the evaporation-like process of helium atoms, and the formation of solid-like helium structures. These characteristics are expected to be quite general and highly relevant to explain experimental measurements with the newly developed helium droplet mediated deposition technique.

NMR parameters in column 13 metal fluoride compounds (AlF₃, GaF₃, InF₃ and TlF) from first principle calculations.

PubMed

Sadoc, Aymeric; Biswal, Mamata; Body, Monique; Legein, Christophe; Boucher, Florent; Massiot, Dominique; Fayon, Franck

2014-01-01

The relationship between the experimental (19)F isotropic chemical shift and the (19)F isotropic shielding calculated using the gauge including projector augmented-wave (GIPAW) method with PBE functional is investigated in the case of GaF3, InF3, TlF and several AlF3 polymorphs. It is shown that the linear correlation between experimental and DFT-PBE calculated values previously established on alkali, alkaline earth and rare earth of column 3 basic fluorides (Sadoc et al., Phys. Chem. Chem. Phys. 13 (2011) 18539-18550) remains valid in the case of column 13 metal fluorides, indicating that it allows predicting (19)F solid state NMR spectra of a broad range of crystalline fluorides with a relatively good accuracy. For the isostructural α-AlF3, GaF3 and InF3 phases, PBE-DFT geometry optimization leads to noticeably overbended M-F-M bond angles and underestimated (27)Al, (71)Ga and (115)In calculated quadrupolar coupling constants. For the studied compounds, whose structures are built of corner shared MF6 octahedra, it is shown that the electric field gradient (EFG) tensor at the cationic sites is not related to distortions of the octahedral units, in contrast to what previously observed for isolated AlF6 octahedra in fluoroaluminates. Copyright © 2014 Elsevier Inc. All rights reserved.

Dynamic properties of the energy loss of multi-MeV charged particles traveling in two-component warm dense plasmas.

PubMed

Fu, Zhen-Guo; Wang, Zhigang; Li, Meng-Lei; Li, Da-Fang; Kang, Wei; Zhang, Ping

2016-12-01

The energy loss of multi-MeV charged particles moving in two-component warm dense plasmas (WDPs) is studied theoretically beyond the random-phase approximation. The short-range correlations between particles are taken into account via dynamic local field corrections (DLFC) in a Mermin dielectric function for two-component plasmas. The mean ionization states are obtained by employing the detailed configuration accounting model. The Yukawa-type effective potential is used to derive the DLFC. Numerically, the DLFC are obtained via self-consistent iterative operations. We find that the DLFC are significant around the maximum of the stopping power. Furthermore, by using the two-component extended Mermin dielectric function model including the DLFC, the energy loss of a proton with an initial energy of ∼15 MeV passing through a WDP of beryllium with an electronic density around the solid value n_{e}≈3×10^{23}cm^{-3} and with temperature around ∼40 eV is estimated numerically. The numerical result is reasonably consistent with the experimental observations [A. B. Zylsta et al., Phys. Rev. Lett. 111, 215002 (2013)PRLTAO0031-900710.1103/PhysRevLett.111.215002]. Our results show that the partial ionization and the dynamic properties should be of importance for the stopping of charged particles moving in the WDP.

Entanglement spectrum and boundary theories with projected entangled-pair states

NASA Astrophysics Data System (ADS)

Cirac, J. Ignacio; Poilblanc, Didier; Schuch, Norbert; Verstraete, Frank

2011-06-01

In many physical scenarios, close relations between the bulk properties of quantum systems and theories associated with their boundaries have been observed. In this work, we provide an exact duality mapping between the bulk of a quantum spin system and its boundary using projected entangled-pair states. This duality associates to every region a Hamiltonian on its boundary, in such a way that the entanglement spectrum of the bulk corresponds to the excitation spectrum of the boundary Hamiltonian. We study various specific models: a deformed AKLT model [I. Affleck, T. Kennedy, E. H. Lieb, and H. Tasaki, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.59.799 59, 799 (1987)], an Ising-type model [F. Verstraete, M. M. Wolf, D. Perez-Garcia, and J. I. Cirac, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.96.220601 96, 220601 (2006)], and Kitaev’s toric code [A. Kitaev, Ann. Phys.APNYA60003-491610.1016/S0003-4916(02)00018-0 303, 2 (2003)], both in finite ladders and in infinite square lattices. In the second case, some of those models display quantum phase transitions. We find that a gapped bulk phase with local order corresponds to a boundary Hamiltonian with local interactions, whereas critical behavior in the bulk is reflected on a diverging interaction length of the boundary Hamiltonian. Furthermore, topologically ordered states yield nonlocal Hamiltonians. Because our duality also associates a boundary operator to any operator in the bulk, it in fact provides a full holographic framework for the study of quantum many-body systems via their boundary.

Integral cross sections for electron impact excitation of the 1Σ+u and 1Πu electronic states in CO2

NASA Astrophysics Data System (ADS)

Kawahara, H.; Kato, H.; Hoshino, M.; Tanaka, H.; Campbell, L.; Brunger, M. J.

2008-04-01

We apply the method of Kim (2007 J. Chem. Phys. 126 064305) in order to derive integral cross sections for the 1Σ+u and 1Πu states of CO2, from our corresponding earlier differential cross section measurements (Green et al 2002 J. Phys. B: At. Mol. Opt. Phys. 35 567). The energy range of this work is 20 200 eV. In addition, the BEf-scaling approach is used to calculate integral cross sections for these same states, from their respective thresholds to 5000 eV. In general, good agreement is found between the experimental integral cross sections and those calculated within the BEf-scaling paradigm, over the entire common energy range. Finally, we employ our calculated integral cross sections to determine the electron energy transfer rates for these states, for a thermal electron energy distribution. Such transfer rates are in principle important for understanding the phenomena in atmospheres where CO2 is a dominant constituent, such as on Mars and Venus.

Physics of the spin gap in the S=1/2 Heisenberg antiferromagnet on kagome

NASA Astrophysics Data System (ADS)

Tchernyshyov, Oleg

2009-03-01

A combination of low spin and strong frustration makes the S=1/2 Heisenberg antiferromagnet on kagome a likely candidate for an unusual ground state and elementary excitations. Exact-diagonalization studies [1] on finite clusters point to a lack of magnetic order in the ground state and to an energy gap of order J/20 for S=1 excitations. The exact nature of the ground state and elementary excitations remains a subject of vigorous debate. Among the proposed ground states are chiral [2] and non-chiral [3] spin liquids and a valence-bond crystal (VBC) [4-5]; spin excitations range from deconfined spinons with a Bose [6] or Fermi statistics [2-3] to magnons [7]. We show that the system behaves as a collection of spinons, quasiparticles with S=1/2 and Fermi statistics, whose motion disturbs valence-bond order. Attraction between spinons, mediated by exchange, binds them into small, massive pairs of S=0 with a binding energy of 0.06 J [8]. The pair formation strongly suppresses the motion of individual spinons and makes the survival of the Singh-Huse VBC plausible. A spin excitation amounts to breaking up a pair into two (nearly) free spinons with S=1. The survival of the VBC is expected to lead to spinon confinement; however, small energy differences between various valence-bond configurations would make the confinement length large. [4pt] [1] Ch. Waldtmann et al., Eur. Phys. J. B 2, 510 (1998).[0pt] [2] J. B. Marston and C. Zeng, J. Appl. Phys. 69, 5962 (1991).[0pt] [3] M. B. Hastings, Phys. Rev. B 63, 014413 (2000).[0pt] [4] P. Nikolic and T. Senthil, Phys. Rev. B 68, 214415 (2003).[0pt] [5] R. R. P. Singh and D. A. Huse, Phys. Rev. B 76, 180407 (2007).[0pt] [6] S. Sachdev, Phys. Rev. B 45, 12377 (1992).[0pt] [7] R. R. P. Singh and D. A. Huse, arXiv:0801.2735. [0pt] [8] Z. Hao and O. Tchernyshyov, the subsequent talk.

Direct observation of bulk Fermi surface at higher Brillouin zones in a heavily hole-doped cuprate

NASA Astrophysics Data System (ADS)

Al-Sawai, W.; Sakurai, Y.; Itou, M.; Barbiellini, B.; Mijnarends, P. E.; Markiewicz, R. S.; Kaprzyk, S.; Gillet, J.-M.; Wakimoto, S.; Fujita, M.; Basak, S.; Lin, H.; Bansil, A.; Yamada, K.

2010-03-01

We have observed the bulk Fermi surface (FS) in an overdoped (x=0.3) single crystal of La2-xSrxCuO4 by using Compton scattering. A 2-D momentum density reconstruction [1] from measured Compton profiles, yields a clear FS signature in a higher Brillouin zone centered at p=(1.5,1.5) a.u. The quantitative agreement with density functional theory (DFT) calculations [2] and momentum density experiment suggests that Fermi-liquid physics is restored in the overdoped regime. We have also measured the 2-D angular correlation of positron annihilation radiation (2D-ACAR) [3] and noticed a similar quantitative agreement with the DFT simulations. However, 2D-ACAR does not give a clear signature of the FS in the extended momentum space in both theory and experiment. Work supported in part by the US DOE.[1] Y. Tanaka et al., Phys. Rev. B 63, 045120 (2001).[2] S. Sahrakorpi et al., Phys. Rev. Lett. 95, 157601 (2005).[3] L. C. Smedskjaer et al., J. Phys. Chem. Solids 52, 1541 (1991).

Strong majorization entropic uncertainty relations

NASA Astrophysics Data System (ADS)

Rudnicki, Łukasz; Puchała, Zbigniew; Życzkowski, Karol

2014-05-01

We analyze entropic uncertainty relations in a finite-dimensional Hilbert space and derive several strong bounds for the sum of two entropies obtained in projective measurements with respect to any two orthogonal bases. We improve the recent bounds by Coles and Piani [P. Coles and M. Piani, Phys. Rev. A 89, 022112 (2014), 10.1103/PhysRevA.89.022112], which are known to be stronger than the well-known result of Maassen and Uffink [H. Maassen and J. B. M. Uffink, Phys. Rev. Lett. 60, 1103 (1988), 10.1103/PhysRevLett.60.1103]. Furthermore, we find a bound based on majorization techniques, which also happens to be stronger than the recent results involving the largest singular values of submatrices of the unitary matrix connecting both bases. The first set of bounds gives better results for unitary matrices close to the Fourier matrix, while the second one provides a significant improvement in the opposite sectors. Some results derived admit generalization to arbitrary mixed states, so that corresponding bounds are increased by the von Neumann entropy of the measured state. The majorization approach is finally extended to the case of several measurements.

Sign Changes in the Electric Dipole Moment of Excited States in Rubidium-Alkaline Earth Diatomic Molecules

NASA Astrophysics Data System (ADS)

Pototschnig, Johann V.; Lackner, Florian; Hauser, Andreas W.; Ernst, Wolfgang E.

2015-06-01

In a recent series of combined experimental and theoretical studies we investigated the ground state and several excited states of the Rb-alkaline earth molecules RbSr and RbCa. The group of alkali-alkaline earth (AK-AKE) molecules has drawn attention for applications in ultracold molecular physics and the measurement of fundamental constants due to their large permanent electric and magnetic dipole moments in the ground state. These properties should allow for an easy manipulation of the molecules and simulations of spin models in optical lattices. In our studies we found that the permanent electric dipole moment points in different directions for certain electronically excited states, and changes the sign in some cases as a function of bond length. We summarize our results, give possible causes for the measured trends in terms of molecular orbital theory and extrapolate the tendencies to other combinations of AK and AKE - elements. F. Lackner, G. Krois, T. Buchsteiner, J. V. Pototschnig, and W. E. Ernst, Phys. Rev. Lett., 2014, 113, 153001; G. Krois, F. Lackner, J. V. Pototschnig, T. Buchsteiner, and W. E. Ernst, Phys. Chem. Chem. Phys., 2014, 16, 22373; J. V. Pototschnig, G. Krois, F. Lackner, and W. E. Ernst, J. Chem. Phys., 2014, 141, 234309 J. V. Pototschnig, G. Krois, F. Lackner, and W. E. Ernst, J. Mol. Spectrosc., in Press (2015), doi:10.1016/j.jms.2015.01.006 M. Kajita, G. Gopakumar, M. Abe, and M. Hada, J. Mol. Spectrosc., 2014, 300, 99-107 A. Micheli, G. K. Brennen, and P. Zoller, Nature Physics, 2006, 2, 341-347

Spin-orbit effects on reflectance anisotropy spectroscopy of aclean CdTe(001) surface

NASA Astrophysics Data System (ADS)

Vázquez-Nava, Raül A.

2005-03-01

The spectroscopical reflectance anisotropy (RA) response of a clean (001) surface of CdTe, which exhibits a c(2 x2) surface reconstruction, is studied using a microscopic formulation based on a semi-empirical tight binding approach (SETB) which includes the spin-orbit (SO) interaction. Following Ref. 1, we apply an unitary transformation to the usual SETB sp^3s^* basis to describe the electronic states in terms of a set of atomic states which are eigenstates of the total angular momentum (TAM). These states are better suited to treat the SO interaction in this model, and their use in the computation of the RA signal is straightforward [1]. We show how the RA changes when SO is taken into account and compare our theoretical results with experimental measurements of Ref. 2. [1] R.A. V'azquez-Nava, B.S. Mendoza and C. Castillo, Phys. Rev. B 70, 165306 (2004). [2] J. R. Molina and R. Espinosa-Luna, J. Phys. D: Appl. Phys. (2004), accepted.

Bridging single and multireference coupled cluster theories with universal state selective formalism

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

Bhaskaran-Nair, Kiran; Kowalski, Karol

2013-05-28

The universal state selective (USS) multireference approach is used to construct new energy functionals which offers a unique possibility of bridging single and multireference coupled cluster theories (SR/MRCC). These functionals, which can be used to develop iterative and non-iterative approaches, utilize a special form of the trial wavefunctions, which assure additive separability (or size-consistency) of the USS energies in the non-interacting subsystem limit. When the USS formalism is combined with approximate SRCC theories, the resulting formalism can be viewed as a size-consistent version of the method of moments of coupled cluster equations (MMCC) employing a MRCC trial wavefunction. Special casesmore » of the USS formulations, which utilize single reference state specific CC (V.V. Ivanov, D.I. Lyakh, L. Adamowicz, Phys. Chem. Chem. Phys. 11, 2355 (2009)) and tailored CC (T. Kinoshita, O. Hino, R.J. Bartlett, J. Chem. Phys. 123, 074106 (2005)) expansions are also discussed.« less

Do cosmological data rule out f (R ) with w ≠-1 ?

NASA Astrophysics Data System (ADS)

Battye, Richard A.; Bolliet, Boris; Pace, Francesco

2018-05-01

We review the equation of state (EoS) approach to dark sector perturbations and apply it to f (R ) gravity models of dark energy. We show that the EoS approach is numerically stable and use it to set observational constraints on designer models. Within the EoS approach we build an analytical understanding of the dynamics of cosmological perturbations for the designer class of f (R ) gravity models, characterized by the parameter B0 and the background equation of state of dark energy w . When we use the Planck cosmic microwave background temperature anisotropy, polarization, and lensing data as well as the baryonic acoustic oscillation data from SDSS and WiggleZ, we find B0<0.006 (95% C.L.) for the designer models with w =-1 . Furthermore, we find B0<0.0045 and |w +1 |<0.002 (95% C.L.) for the designer models with w ≠-1 . Previous analyses found similar results for designer and Hu-Sawicki f (R ) gravity models using the effective field theory approach [Raveri et al., Phys. Rev. D 90, 043513 (2014), 10.1103/PhysRevD.90.043513; Hu et al., Mon. Not. R. Astron. Soc. 459, 3880 (2016), 10.1093/mnras/stw775]; therefore this hints for the fact that generic f (R ) models with w ≠-1 can be tightly constrained by current cosmological data, complementary to solar system tests [Brax et al., Phys. Rev. D 78, 104021 (2008), 10.1103/PhysRevD.78.104021; Faulkner et al., Phys. Rev. D 76, 063505 (2007), 10.1103/PhysRevD.76.063505]. When compared to a w CDM fluid with the same sound speed, we find that the equation of state for f (R ) models is better constrained to be close to -1 by about an order of magnitude, due to the strong dependence of the perturbations on w .

Fixed node diffusion Monte Carlo using a genetic algorithm: a study of the CO-(4)He(N) complex, N = 1…10.

PubMed

Ramilowski, Jordan A; Farrelly, David

2012-06-14

The diffusion Monte Carlo (DMC) method is a widely used algorithm for computing both ground and excited states of many-particle systems; for states without nodes the algorithm is numerically exact. In the presence of nodes approximations must be introduced, for example, the fixed-node approximation. Recently we have developed a genetic algorithm (GA) based approach which allows the computation of nodal surfaces on-the-fly [Ramilowski and Farrelly, Phys. Chem. Chem. Phys., 2010, 12, 12450]. Here GA-DMC is applied to the computation of rovibrational states of CO-(4)He(N) complexes with N≤ 10. These complexes have been the subject of recent high resolution microwave and millimeter-wave studies which traced the onset of microscopic superfluidity in a doped (4)He droplet, one atom at a time, up to N = 10 [Surin et al., Phys. Rev. Lett., 2008, 101, 233401; Raston et al., Phys. Chem. Chem. Phys., 2010, 12, 8260]. The frequencies of the a-type (microwave) series, which correlate with end-over-end rotation in the CO-(4)He dimer, decrease from N = 1 to 3 and then smoothly increase. This signifies the transition from a molecular complex to a quantum solvated system. The frequencies of the b-type (millimeter-wave) series, which evolves from free rotation of the rigid CO molecule, initially increase from N = 0 to N∼ 6 before starting to decrease with increasing N. An interesting feature of the b-type series, originally observed in the high resolution infra-red (IR) experiments of Tang and McKellar [J. Chem. Phys., 2003, 119, 754] is that, for N = 7, two lines are observed. The GA-DMC algorithm is found to be in good agreement with experimental results and possibly detects the small (∼0.7 cm(-1)) splitting in the b-series line at N = 7. Advantages and disadvantages of GA-DMC are discussed.

Generation of single- and two-mode multiphoton states in waveguide QED

NASA Astrophysics Data System (ADS)

Paulisch, V.; Kimble, H. J.; Cirac, J. I.; González-Tudela, A.

2018-05-01

Single- and two-mode multiphoton states are the cornerstone of many quantum technologies, e.g., metrology. In the optical regime, these states are generally obtained combining heralded single photons with linear optics tools and post-selection, leading to inherent low success probabilities. In a recent paper [A. González-Tudela et al., Phys. Rev. Lett. 118, 213601 (2017), 10.1103/PhysRevLett.118.213601], we design several protocols that harness the long-range atomic interactions induced in waveguide QED to improve fidelities and protocols of single-mode multiphoton emission. Here, we give full details of these protocols, revisit them to simplify some of their requirements, and also extend them to generate two-mode multiphoton states, such as Yurke or NOON states.

Observation of an Ultrahard Phase of Graphite Quenched from High-pressure

DTIC Science & Technology

2011-02-01

Polycrystalline NaCl at High Pressures and 300 °K. J. Geophys. Res. 1978, 83, 1257–1268. 23. Selvi , E.; Ma, Y.; Askoy, R.; Ertas, A.; White, A. High...Pressure X-ray Diffraction Study of Tungsten Disulfide. J. Phys. Chem. Solids 2006, 67, 2183–2186. 24. Askoy, R.; Ma, Y.; Selvi , E.; Chyu, M. C

New phase in solid nitrogen at high pressures

NASA Astrophysics Data System (ADS)

Grimsditch, M.

1985-07-01

A Brillouin scattering study of nitrogen up to pressures of 21 GPa shows a phase transition with pronounced hysteresis at 16.5 GPa. This phase transition is consistent with recent Raman measurements of Buchsbaum, Mills, and Schiferl [J. Phys. Chem. 88, 2522 (1984)] which could be interpreted as either a deformation of the lattice or the appearance of a new phase.

New phase in solid nitrogen at high pressures

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

Grimsditch, M.

1985-07-01

A Brillouin scattering study of nitrogen up to pressures of 21 GPa shows a phase transition with pronounced hysteresis at 16.5 GPa. This phase transition is consistent with recent Raman measurements of Buchsbaum, Mills, and Schiferl (J. Phys. Chem. 88, 2522 (1984)) which could be interpreted as either a deformation of the lattice or the appearance of a new phase.

Improving the Teleportation Scheme of Three-Qubit State with a Four-Qubit Quantum Channel

NASA Astrophysics Data System (ADS)

Cai, Tao; Jiang, Min

2018-01-01

Recently, Zhao-Hui Wei et al. (Int. J. Theor. Phys. 55, 4687, 2016) proposed an improved quantum teleportation scheme for one three-qubit unknown state with a four-qubit quantum channel based on the original one proposed by Binayak S. Choudhury and Arpan Dhara (Int. J. Theor. Phys. 55, 3393, 2016). According to their schemes, the three-qubit entangled state could be teleported with one four-qubit cluster state and five-qubit joint measurements or four-qubit joint measurements. In this paper, we present an improved protocol only with single-qubit measurements and the same four-qubit quantum channel, lessening the difficulty and intensity of necessary operations.

Differential conductance and defect states in the heavy-fermion superconductor CeCoIn 5

DOE PAGES

John S. Van Dyke; Davis, James C.; Morr, Dirk K.

2016-01-22

We demonstrate that the electronic band structure extracted from quasiparticle interference spectroscopy [Nat. Phys. 9, 468 (2013)] and the theoretically computed form of the superconducting gaps [Proc. Natl. Acad. Sci. USA 111, 11663 (2014)] can be used to understand the dI/dV line shape measured in the normal and superconducting state of CeCoIn5 [Nat. Phys. 9, 474 (2013)]. In particular, the dI/dV line shape, and the spatial structure of defect-induced impurity states, reflects the existence of multiple superconducting gaps of d x2–y2 symmetry. As a result, these results strongly support a recently proposed microscopic origin of the unconventional superconducting state.

ERRATUM: Papers published in incorrect sections

NASA Astrophysics Data System (ADS)

2004-04-01

A number of J. Phys. A: Math. Gen. articles have mistakenly been placed in the wrong subject section in recent issues of the journal. We would like to apologize to the authors of these articles for publishing their papers in the Fluid and Plasma Theory section. The correct section for each article is given below. Statistical Physics Issue 4: Microcanonical entropy for small magnetizations Behringer H 2004 J. Phys. A: Math. Gen. 37 1443 Mathematical Physics Issue 9: On the solution of fractional evolution equations Kilbas A A, Pierantozzi T, Trujillo J J and Vázquez L 2004 J. Phys. A: Math. Gen. 37 3271 Quantum Mechanics and Quantum Information Theory Issue 6: New exactly solvable isospectral partners for PT-symmetric potentials Sinha A and Roy P 2004 J. Phys. A: Math. Gen. 37 2509 Issue 9: Symplectically entangled states and their applications to coding Vourdas A 2004 J. Phys. A: Math. Gen. 37 3305 Classical and Quantum Field Theory Issue 6: Pairing of parafermions of order 2: seniority model Nelson C A 2004 J. Phys. A: Math. Gen. 37 2497 Issue 7: Jordan-Schwinger map, 3D harmonic oscillator constants of motion, and classical and quantum parameters characterizing electromagnetic wave polarization Mota R D, Xicoténcatl M A and Granados V D 2004 J. Phys. A: Math. Gen. 37 2835 Issue 9: Could only fermions be elementary? Lev F M 2004 J. Phys. A: Math. Gen. 37 3285

Multipartite quantum correlations and local recoverability

PubMed Central

Wilde, Mark M.

2015-01-01

Characterizing genuine multipartite quantum correlations in quantum physical systems has historically been a challenging problem in quantum information theory. More recently, however, the total correlation or multipartite information measure has been helpful in accomplishing this goal, especially with the multipartite symmetric quantum (MSQ) discord (Piani et al. 2008 Phys. Rev. Lett. 100, 090502. (doi:10.1103/PhysRevLett.100.090502)) and the conditional entanglement of multipartite information (CEMI) (Yang et al. 2008 Phys. Rev. Lett. 101, 140501. (doi:10.1103/PhysRevLett.101.140501)). Here, we apply a recent and significant improvement of strong subadditivity of quantum entropy (Fawzi & Renner 2014 (http://arxiv.org/abs/1410.0664)) in order to develop these quantities further. In particular, we prove that the MSQ discord is nearly equal to zero if and only if the multipartite state for which it is evaluated is approximately locally recoverable after performing measurements on each of its systems. Furthermore, we prove that the CEMI is a faithful entanglement measure, i.e. it vanishes if and only if the multipartite state for which it is evaluated is a fully separable state. Along the way, we provide an operational interpretation of the MSQ discord in terms of the partial state distribution protocol, which in turn, as a special case, gives an interpretation for the original discord quantity. Finally, we prove an inequality that could potentially improve upon the Fawzi–Renner inequality in the multipartite context, but it remains an open question to determine whether this is so. PMID:27547097

Symmetrical windowing for quantum states in quasi-classical trajectory simulations: Application to electron transfer

NASA Astrophysics Data System (ADS)

Cotton, Stephen J.; Igumenshchev, Kirill; Miller, William H.

2014-08-01

It has recently been shown [S. J. Cotton and W. H. Miller, J. Chem. Phys. 139, 234112 (2013)] that a symmetrical windowing quasi-classical (SQC) approach [S. J. Cotton and W. H. Miller, J. Phys. Chem. A 117, 7190 (2013)] applied to the Meyer-Miller model [H.-D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979)] for the electronic degrees of freedom in electronically non-adiabatic dynamics is capable of quantitatively reproducing quantum mechanical results for a variety of test applications, including cases where "quantum" coherence effects are significant. Here we apply this same SQC methodology, within a flux-side correlation function framework, to calculate thermal rate constants corresponding to several proposed models of electron transfer processes [P. Huo, T. F. Miller III, and D. F. Coker, J. Chem. Phys. 139, 151103 (2013); A. R. Menzeleev, N. Ananth, and T. F. Miller III, J. Chem. Phys. 135, 074106 (2011)]. Good quantitative agreement with Marcus Theory is obtained over several orders of magnitude variation in non-adiabatic coupling. Moreover, the "inverted regime" in thermal rate constants (with increasing bias) known from Marcus Theory is also reproduced with good accuracy by this very simple classical approach. The SQC treatment is also applied to a recent model of photoinduced proton coupled electron transfer [C. Venkataraman, A. V. Soudackov, and S. Hammes-Schiffer, J. Chem. Phys. 131, 154502 (2009)] and population decay of the photoexcited donor state is found to be in reasonable agreement with results calculated via reduced density matrix theory.

Symmetrical windowing for quantum states in quasi-classical trajectory simulations: Application to electron transfer

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

Cotton, Stephen J.; Igumenshchev, Kirill; Miller, William H., E-mail: millerwh@berkeley.edu

It has recently been shown [S. J. Cotton and W. H. Miller, J. Chem. Phys. 139, 234112 (2013)] that a symmetrical windowing quasi-classical (SQC) approach [S. J. Cotton and W. H. Miller, J. Phys. Chem. A 117, 7190 (2013)] applied to the Meyer-Miller model [H.-D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979)] for the electronic degrees of freedom in electronically non-adiabatic dynamics is capable of quantitatively reproducing quantum mechanical results for a variety of test applications, including cases where “quantum” coherence effects are significant. Here we apply this same SQC methodology, within a flux-side correlation functionmore » framework, to calculate thermal rate constants corresponding to several proposed models of electron transfer processes [P. Huo, T. F. Miller III, and D. F. Coker, J. Chem. Phys. 139, 151103 (2013); A. R. Menzeleev, N. Ananth, and T. F. Miller III, J. Chem. Phys. 135, 074106 (2011)]. Good quantitative agreement with Marcus Theory is obtained over several orders of magnitude variation in non-adiabatic coupling. Moreover, the “inverted regime” in thermal rate constants (with increasing bias) known from Marcus Theory is also reproduced with good accuracy by this very simple classical approach. The SQC treatment is also applied to a recent model of photoinduced proton coupled electron transfer [C. Venkataraman, A. V. Soudackov, and S. Hammes-Schiffer, J. Chem. Phys. 131, 154502 (2009)] and population decay of the photoexcited donor state is found to be in reasonable agreement with results calculated via reduced density matrix theory.« less

State-projective scheme for generating pair coherent states in traveling-wave optical fields

NASA Astrophysics Data System (ADS)

Gerry, Christopher C.; Mimih, Jihane; Birrittella, Richard

2011-08-01

The pair coherent states of a two-mode quantized electromagnetic field introduced by Agarwal [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.57.827 57, 827 (1986)] have yet to be generated in the laboratory. The states can mathematically be obtained from a product of ordinary coherent states via projection onto a subspace wherein identical photon number states of each mode are paired. We propose a scheme by which this projection can be engineered. The scheme requires relatively weak cross-Kerr nonlinearities, the ability to perform a displacement operation on a beam mode, and photon detection ability able to distinguish between zero and any other number of photons. These requirements can be fulfilled with currently available technology or technology that is on the horizon.

Experimental quantum-cryptography scheme based on orthogonal states

NASA Astrophysics Data System (ADS)

Avella, Alessio; Brida, Giorgio; Degiovanni, Ivo Pietro; Genovese, Marco; Gramegna, Marco; Traina, Paolo

2010-12-01

Since, in general, nonorthogonal states cannot be cloned, any eavesdropping attempt in a quantum-communication scheme using nonorthogonal states as carriers of information introduces some errors in the transmission, leading to the possibility of detecting the spy. Usually, orthogonal states are not used in quantum-cryptography schemes since they can be faithfully cloned without altering the transmitted data. Nevertheless, L. Goldberg and L. Vaidman [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.75.1239 75, 1239 (1995)] proposed a protocol in which, even if the data exchange is realized using two orthogonal states, any attempt to eavesdrop is detectable by the legal users. In this scheme the orthogonal states are superpositions of two localized wave packets traveling along separate channels. Here we present an experiment realizing this scheme.

A self-consistent density based embedding scheme applied to the adsorption of CO on Pd(111)

NASA Astrophysics Data System (ADS)

Lahav, D.; Klüner, T.

2007-06-01

We derive a variant of a density based embedded cluster approach as an improvement to a recently proposed embedding theory for metallic substrates (Govind et al 1999 J. Chem. Phys. 110 7677; Klüner et al 2001 Phys. Rev. Lett. 86 5954). In this scheme, a local region in space is represented by a small cluster which is treated by accurate quantum chemical methodology. The interaction of the cluster with the infinite solid is taken into account by an effective one-electron embedding operator representing the surrounding region. We propose a self-consistent embedding scheme which resolves intrinsic problems of the former theory, in particular a violation of strict density conservation. The proposed scheme is applied to the well-known benchmark system CO/Pd(111).

0.27 GW Soft X-Ray Pulse Using a Plasma-Based Amplification Chain

NASA Astrophysics Data System (ADS)

Oliva, E.; Fajardo, M.; Velarde, P.; Ros, D.; Sebban, S.; Zeitoun, P.

Seeding plasma-based soft-x-ray lasers (PBSXRL) with high order harmonics (HOH) has been demonstrated in plasmas created from gas targets (Zeitoun et al. in Nature 431:426, 2004 and solid targets (Wang et al. in Nat. Photonics 2:94, 2008), obtaining 1 μJ, 1 ps pulses. Reaching multi-microJoule, hundreds of fs regime is the ultimate goal. Recent papers (Oliva et al. in Opt. Lett. 34(17):2640-2642, 2009; Phys. Rev. E 82(5):056408, 2010) showed that increasing the width (up to 1 mm) of the plasma increases the amplification surface and improves the gain zone properties. Up to 20 μJ could be extracted when seeding but the temporal duration and profile was not studied. Simulations show that the HOH is weakly amplified whereas most of the energy is within a long (several picoseconds) wake induced by the HOH (Al'miev et al. in Phys. Rev. Lett. 99(12):123902, 2007; Kim et al. in Phys. Rev. Lett. 104:053901, 2010). Amplified Spontaneous Emission (ASE) is also present in the output beam. Using the 1D Maxwell-Bloch code DeepOne (Oliva et al. in Phys. Rev. A 84(1):013811, 2011) we will show that fully coherent, wake and ASE-suppressed, 21.6 μJ, 80 fs pulse can be obtained when optimizing at the same time both the seed and the plasma conditions.

Eu/RG absorption and excitation spectroscopy in the solid rare gases: state dependence of crystal field splitting and Jahn-Teller coupling.

PubMed

Byrne, Owen; McCaffrey, John G

2011-03-28

Absorption spectroscopy recorded for annealed samples of matrix-isolated atomic europium reveals a pair of thermally stable sites in Ar and Kr while a single site exists in Xe. Plots of the matrix shifts of the visible s → p bands versus host polarizability, allowed the association of the single site in Xe and the blue sites in Ar and Kr. On the basis of the similar ground state bond lengths expected for the Eu-rare gas (RG) diatomics and the known Na-RG molecules, the blue sites are attributed to Eu occupancy in the smaller tetra-vacancy while the red sites are proposed to arise from hexa-vacancy sites. Both sites are of cubic symmetry, consistent with the pronounced Jahn-Teller structure present on the y(8)P ← a(8)S(7/2) transition for these bands in the three hosts studied. Site-selective excitation spectroscopy has been used to reanalyze complex absorption spectra previously published by Jakob et al. [Phys. Lett. A 57, 67 (1976)] for the near-UV f → d transitions. On the basis that a pair of thermally stable sites exist in solid argon, the occurrence of crystal field splitting has been identified to occur for the J ≥ 5/2 level of the (8)P state when isolated in these two sites with cubic symmetry. From a detailed lineshape analysis, the magnitude of the crystal field splittings on the J = 5/2 level in Ar is found to be 105 and 123 cm(-1) for the red and blue sites, respectively.

Key Planning Factors for Recovery from a Radiological Terrorism Incident

DTIC Science & Technology

2012-09-01

United States, Health Phys. 82(5), 591–608. Bromet E.J. (2012). Mental health consequences of the Chernobyl disaster, J Radiol Prot. 2012 Mar; 32(1...Recovery Planning Tools: Recommendations for Developing Regional Disaster Recovery Plans. Draft. Steinhausler, F. (2005), Chernobyl and Goiania Lessons for Responding to Radiological Terrorism. Health Phys. 89(5):566 –574

Electron Spin Polarization and Detection in InAs Quantum Dots Through p-Shell Trions

DTIC Science & Technology

2010-01-08

Bracker, D. Gershoni, V. L. Korenev , S. C. Badescu, Y. Lyanda- Geller, and T. L. Reinecke, Phys. Rev. Lett. 95, 177403 2005. 16A. Babinski, M...V. L. Korenev , and I. A. Merkulov, Phys. Rev. Lett. 94, 047402 2005. 28Excitation of trion superposition states has also been considered but it has

Electronic Promoters and Semiconductor Oxidation: Alkali Metals on Si(111) Surfaces.

DTIC Science & Technology

1986-04-25

SPAS, Caiimissariate a’ l’Energie Atctmique, CEN Saclay, France. 1. T. Narusawa, S. Komiya, and A. Hiraki , Appi. Phys. Lett. 20, 272 (1972). 2. J...Raisanen, and N. Troullier, Phys. Rev. B (in press). 10. K. Okuno, T. Ito, M. Iwami, and A. Hiraki , Sol. State Commun. 34, 493 (1980) and references

A variational approach to multi-phase motion of gas, liquid and solid based on the level set method

NASA Astrophysics Data System (ADS)

Yokoi, Kensuke

2009-07-01

We propose a simple and robust numerical algorithm to deal with multi-phase motion of gas, liquid and solid based on the level set method [S. Osher, J.A. Sethian, Front propagating with curvature-dependent speed: Algorithms based on Hamilton-Jacobi formulation, J. Comput. Phys. 79 (1988) 12; M. Sussman, P. Smereka, S. Osher, A level set approach for capturing solution to incompressible two-phase flow, J. Comput. Phys. 114 (1994) 146; J.A. Sethian, Level Set Methods and Fast Marching Methods, Cambridge University Press, 1999; S. Osher, R. Fedkiw, Level Set Methods and Dynamics Implicit Surface, Applied Mathematical Sciences, vol. 153, Springer, 2003]. In Eulerian framework, to simulate interaction between a moving solid object and an interfacial flow, we need to define at least two functions (level set functions) to distinguish three materials. In such simulations, in general two functions overlap and/or disagree due to numerical errors such as numerical diffusion. In this paper, we resolved the problem using the idea of the active contour model [M. Kass, A. Witkin, D. Terzopoulos, Snakes: active contour models, International Journal of Computer Vision 1 (1988) 321; V. Caselles, R. Kimmel, G. Sapiro, Geodesic active contours, International Journal of Computer Vision 22 (1997) 61; G. Sapiro, Geometric Partial Differential Equations and Image Analysis, Cambridge University Press, 2001; R. Kimmel, Numerical Geometry of Images: Theory, Algorithms, and Applications, Springer-Verlag, 2003] introduced in the field of image processing.

Electron spin resonance study of atomic hydrogen stabilized in solid neon below 1 K

NASA Astrophysics Data System (ADS)

Sheludiakov, S.; Ahokas, J.; Järvinen, J.; Lehtonen, L.; Vasiliev, S.; Dmitriev, Yu. A.; Lee, D. M.; Khmelenko, V. V.

2018-03-01

We report on an electron spin resonance study of atomic hydrogen stabilized in solid Ne matrices carried out at a high field of 4.6 T and temperatures below 1 K . The films of Ne, slowly deposited on the substrate at a temperature of ˜1 K , exhibited a high degree of porosity. We found that H atoms may be trapped in two different substitutional positions in the Ne lattice as well as inside clusters of pure molecular H2 in the pores of the Ne film. The latter type of atoms was very unstable against recombination at temperatures 0.3-0.6 K . Based on the observed nearly instant decays after rapid small increases of temperature, we evaluate the lower limit of the recombination rate constant kr≥5 ×10-20cm3s-1 at 0.6 K , five orders of magnitude larger than that previously found in the thin films of pure H2 at the same temperature. Such behavior assumes a very high mobility of atoms and may indicate a solid-to-liquid transition for H2 clusters of certain sizes, similar to that observed in experiments with H2 clusters inside helium droplets [Phys. Rev. Lett. 101, 205301 (2008), 10.1103/PhysRevLett.101.205301]. We found that the efficiency of dissociation of H2 in neon films is enhanced by two orders of magnitude compared to that in pure H2 as a result of the strong action of secondary electrons.

Numerical determination of the interfacial energy and nucleation barrier of curved solid-liquid interfaces in binary systems

NASA Astrophysics Data System (ADS)

Kundin, Julia; Choudhary, Muhammad Ajmal

2016-07-01

The phase-field crystal (PFC) technique is a widely used approach for modeling crystal growth phenomena with atomistic resolution on mesoscopic time scales. We use a two-dimensional PFC model for a binary system based on the work of Elder et al. [Phys. Rev. B 75, 064107 (2007), 10.1103/PhysRevB.75.064107] to study the effect of the curved, diffuse solid-liquid interface on the interfacial energy as well as the nucleation barrier. The calculation of the interfacial energy and the nucleation barrier certainly depends on the proper definition of the solid-liquid dividing surface and the corresponding nucleus size. We define the position of the sharp interface at which the interfacial energy is to be evaluated by using the concept of equimolar dividing surface (re) and the minimization of the interfacial energy (rs). The comparison of the results based on both radii shows that the difference re-rs is always positive and has a limit for large cluster sizes which is comparable to the Tolman length. Furthermore, we found the real nucleation barrier for small cluster sizes, which is defined as a function of the radius rs, and compared it with the classical nucleation theory. The simulation results also show that the extracted interfacial energy as function of both radii is independent of system size, and this dependence can be reasonably described by the nonclassical Tolman formula with a positive Tolman length.

Reply to "Comment on 'Defocusing complex short-pulse equation and its multi-dark-soliton solution' ".

PubMed

Feng, Bao-Feng; Ling, Liming; Zhu, Zuonong

2017-08-01

Our paper [Phys. Rev. E 93, 052227 (2016)PREHBM2470-004510.1103/PhysRevE.93.052227], proposing an integrable model for the propagation of ultrashort pulses, has recently received a Comment by Youssoufa et al. [Phys. Rev. E 96, 026201 (2017)10.1103/PhysRevE.96.026201] about a possible flaw in its derivation. We point out that their claim is incorrect since we have stated explicitly that a term is neglected to derive our model equation in our paper. Furthermore, the integrable model is validated by comparing with the normalized Maxwell equation and other known integrable models. Moreover, we show that a similar approximation has to be performed in deriving the same integrable equation as explained in the Comment.

Search for unbound 15Be states in the 3 n +12Be channel

NASA Astrophysics Data System (ADS)

Kuchera, A. N.; Spyrou, A.; Smith, J. K.; Baumann, T.; Christian, G.; DeYoung, P. A.; Finck, J. E.; Frank, N.; Jones, M. D.; Kohley, Z.; Mosby, S.; Peters, W. A.; Thoennessen, M.

2015-01-01

Background: 15Be is expected to have low-lying 3 /2+ and 5 /2+ states. A first search did not find the 3 /2+ [A. Spyrou et al., Phys. Rev. C 84, 044309 (2011), 10.1103/PhysRevC.84.044309]; however, a resonance in 15Be was populated in a second attempt and determined to be unbound with respect to 14Be by 1.8(1) MeV with a tentative spin-parity assignment of 5 /2+ [J. Snyder et al., Phys. Rev. C 88, 031303(R) (2013), 10.1103/PhysRevC.88.031303]. Purpose: Search for the predicted 15Be 3 /2+ state in the three-neutron decay channel. Method: A two-proton removal reaction from a 55 MeV/u 17C beam was used to populate neutron-unbound states in 15Be. The two-, three-, and four-body decay energies of the 12Be + neutron(s) detected in coincidence were reconstructed using invariant mass spectroscopy. Monte Carlo simulations were performed to extract the resonance and decay properties from the observed spectra. Results: The low-energy regions of the decay energy spectra can be described with the first excited unbound state of 14Be (Ex=1.54 MeV, Er=0.28 MeV). Including a state in 15Be that decays through the first excited 14Be state slightly improves the fit at higher energies though the cross section is small. Conclusions: A 15Be component is not needed to describe the data. If the 3 /2+ state in 15Be is populated, the decay by three-neutron emission through 14Be is weak, ≤11 % up to 4 MeV. In the best fit, 15Be is unbound with respect to 12Be by 1.4 MeV (unbound with respect to 14Be by 2.66 MeV) with a strength of 7 % .

Quantum radiation produced by the entanglement of quantum fields

NASA Astrophysics Data System (ADS)

Iso, Satoshi; Oshita, Naritaka; Tatsukawa, Rumi; Yamamoto, Kazuhiro; Zhang, Sen

2017-01-01

We investigate the quantum radiation produced by an Unruh-De Witt detector in a uniformly accelerating motion coupled to the vacuum fluctuations. Quantum radiation is nonvanishing, which is consistent with the previous calculation by Lin and Hu [Phys. Rev. D 73, 124018 (2006), 10.1103/PhysRevD.73.124018]. We infer that this quantum radiation from the Unruh-De Witt detector is generated by the nonlocal correlation of the Minkowski vacuum state, which has its origin in the entanglement of the state between the left and the right Rindler wedges.

Selection rules for harmonic generation in solids

NASA Astrophysics Data System (ADS)

Moiseyev, Nimrod

2015-05-01

High-order harmonic generation (HHG) in a bulk crystal was first observed in 2011 [S. Ghimire, A. D. DiChiara, E. Sistrunk, P. Agostini, L. F. DiMauro, and D. A. Reis, Nat. Phys. 7, 138 (2011), 10.1038/nphys1847]. Only odd-order harmonics were observed as expected on the basis of the selection rules in solids, which were derived when only the interband currents were taken into consideration. Here we study HHG in solids when the intraband currents are taken into consideration as well. We show that the dynamical selection rules are broken in solids and the possibility of generation of even-order harmonics cannot be excluded on the basis of the dynamical symmetry analysis. However, a simple analysis of the expression we obtained for the amplitude of the emitted high-order harmonics shows, without the need to carry out numerical calculations, that the even-order harmonics are suppressed due to the localization of the field-free one-electron density probability on the atoms in the solids.

Predicting the solid state phase diagram for glass-forming alloys of copper and zirconium

NASA Astrophysics Data System (ADS)

Tang, C.; Harrowell, Peter

2012-06-01

The free energies of six crystal structures associated with Cu-Zr alloys—Cu (face centred cubic), Cu2Zr, Cu10Zr7, CuZr, CuZr2 and Zr (hexagonal close packed)—are calculated using the embedded atom potential of Mendelev et al (2009 Phil. Mag. 89 967). We find that the observed low temperature stability of the Cu10Zr7 and CuZr2 phases is not reproduced. Instead, the model predicts that the CuZr phase remains stable down to T = 0 K. This discrepancy is largely removed when the interaction potentials are cut off at a short distance, such as that used by Duan et al (2005 Phys. Rev. B 71 224208). We present evidence, however, that the cut-off distance necessary to achieve the change in phase stability results in pathological artefacts in the energetics of some crystal phases.

Measurement of the Onsager coefficients of mixed ionic-electronic conduction in oxides

NASA Astrophysics Data System (ADS)

Lee, Doh-Kwon; Yoo, Han-Ill

2007-06-01

In the phenomenon of mixed ionic-electronic conduction in solid state, a flow of mobile ions (Ji) may be induced not only directly by their own electrochemical potential gradient (∇ηi) , but also indirectly by that of electrons (∇ηe) , and vice versa for a flow of electrons (Je) or Jm=-Lmn∇ηn (m,n=i,e) . We have recently succeeded in determining experimentally all the four Onsager coefficients Lmn on the system of TiO2 , and reported [Phys. Rev. Lett. 97, 255901 (2006)] that the Onsager reciprocity is verified within 1.3% error bound (Lie/Lei=0.993±0.013) and contrary to the general belief, the cross coefficient is not only not negligible but also even larger than a direct one (1.5⩽Lie/Lii⩽3.7) . This paper details the experimental technique which allows one to measure all the Onsager coefficients in a mixed conductor oxide.

Confinement and Diffusion Effects in Dynamical Nuclear Polarization in Low Dimensional Nanostructures

NASA Astrophysics Data System (ADS)

Henriksen, Dan; Tifrea, Ionel

2012-02-01

We investigate the dynamic nuclear polarization as it results from the hyperfine coupling between nonequilibrium electronic spins and nuclear spins in semiconductor nanostructures. The natural confinement provided by low dimensional nanostructures is responsible for an efficient nuclear spin - electron spin hyperfine coupling [1] and for a reduced value of the nuclear spin diffusion constant [2]. In the case of optical pumping, the induced nuclear spin polarization is position dependent even in the presence of nuclear spin diffusion. This effect should be measurable via optically induced nuclear magnetic resonance or time-resolved Faraday rotation experiments. We discuss the implications of our calculations for the case of GaAs quantum well structures.[4pt] [1] I. Tifrea and M. E. Flatt'e, Phys. Rev. B 84, 155319 (2011).[0pt] [2] A. Malinowski and R. T. Harley, Solid State Commun. 114, 419 (2000).

Density profile and breathing mode of strongly correlated spherical Yukawa plasmas

NASA Astrophysics Data System (ADS)

Henning, Christian; Fujioka, Kenji; Ludwig, Patrick; Bonitz, Michael

2007-11-01

The structure of ``Yukawa balls,'' i.e. spherical 3D dust crystals, which recently have been produced [1], is well explained by computer simulations of charged Yukawa interacting particles within an external parabolic confinement [2]. Dynamical properties (e.g. breathing mode) of these systems were investigated by experiment, simulations as well as theoretically by using the ansatz of a uniform ground state density [3]. Here we show analytically that screening has a dramatic effect on the density profile which decreases away from the center [4,5] and which is in excellent agreement with MD simulations of Yukawa balls. This result is used to improve former calculations of the breathing mode [6].References[1] O. Arp et al. Phys. Rev. Lett. 93, 165004 (2004)[2] M. Bonitz et al., Phys. Rev. Lett. 96, 075001 (2006)[3] T. E. Sheridan, Phys. Plasmas 13, 022106 (2006)[4] C. Henning et al., Phys. Rev. E 74, 056403 (2006)[5] C. Henning at al., Phys. Rev. E (2007)[6] C. Henning at al., submitted for publication

Continuous-variable quantum key distribution based on a plug-and-play dual-phase-modulated coherent-states protocol

NASA Astrophysics Data System (ADS)

Huang, Duan; Huang, Peng; Wang, Tao; Li, Huasheng; Zhou, Yingming; Zeng, Guihua

2016-09-01

We propose and experimentally demonstrate a continuous-variable quantum key distribution (CV-QKD) protocol using dual-phase-modulated coherent states. We show that the modulation scheme of our protocol works equivalently to that of the Gaussian-modulated coherent-states (GMCS) protocol, but shows better experimental feasibility in the plug-and-play configuration. Besides, it waives the necessity of propagation of a local oscillator (LO) between legitimate users and generates a real local LO for quantum measurement. Our protocol is proposed independent of the one-way GMCS QKD without sending a LO [Opt. Lett. 40, 3695 (2015), 10.1364/OL.40.003695; Phys. Rev. X 5, 041009 (2015), 10.1103/PhysRevX.5.041009; Phys. Rev. X 5, 041010 (2015), 10.1103/PhysRevX.5.041010]. In those recent works, the system stability will suffer the impact of polarization drifts induced by environmental perturbations, and two independent frequency-locked laser sources are necessary to achieve reliable coherent detection. In the proposed protocol, these previous problems can be resolved. We derive the security bounds for our protocol against collective attacks, and we also perform a proof-of-principle experiment to confirm the utility of our proposal in real-life applications. Such an efficient scheme provides a way of removing the security loopholes associated with the transmitting LO, which have been a notoriously hard problem in continuous-variable quantum communication.

Measurement of complete and continuous Wigner functions for discrete atomic systems

NASA Astrophysics Data System (ADS)

Tian, Yali; Wang, Zhihui; Zhang, Pengfei; Li, Gang; Li, Jie; Zhang, Tiancai

2018-01-01

We measure complete and continuous Wigner functions of a two-level cesium atom in both a nearly pure state and highly mixed states. We apply the method [T. Tilma et al., Phys. Rev. Lett. 117, 180401 (2016), 10.1103/PhysRevLett.117.180401] of strictly constructing continuous Wigner functions for qubit or spin systems. We find that the Wigner function of all pure states of a qubit has negative regions and the negativity completely vanishes when the purity of an arbitrary mixed state is less than 2/3 . We experimentally demonstrate these findings using a single cesium atom confined in an optical dipole trap, which undergoes a nearly pure dephasing process. Our method can be applied straightforwardly to multi-atom systems for measuring the Wigner function of their collective spin state.

The first detection of the 3A g- state in carotenoids using resonance-Raman excitation profiles

NASA Astrophysics Data System (ADS)

Furuichi, Kentaro; Sashima, Tokutake; Koyama, Yasushi

2002-04-01

The singlet 3Ag- state that had been theoretically predicted in shorter polyenes [P. Tavan and K. Schulten J. Chem. Phys. 85 (1986) 6602; Phys. Rev. B 36 (1987) 4337] was first identified in bacterial carotenoids by measurements of resonance-Raman excitation profiles. It is almost overlapped with the 1Bu+ state in spheroidene (the number of conjugated double bonds, n=10), and located in-between the 1Bu+ and 1Bu- states in lycopene, anhydrorhodovibrin and spirilloxanthin (n=11-13). The slopes when the 2Ag--, 1Bu-- and 3Ag--state energies were expressed as linear functions of 1/(2n+1) exhibited the ratio of 2:3.1:3.8 in excellent agreement with that theoretically predicted, 2:3.1:3.7.

Efficient test to demonstrate genuine three particle nonlocality

NASA Astrophysics Data System (ADS)

Mukherjee, Kaushiki; Paul, Biswajit; Sarkar, Debasis

2015-11-01

According to the studies of genuine tripartite nonlocality in discrete variable quantum systems conducted so far, Svetlichny inequality is considered as the best Bell-type inequality to detect genuine (three way) nonlocality of pure tripartite genuine entangled states. In the present work, we have considered another Bell-type inequality (which has been reported as the 99th facet of NS 2 local polytope in Bancal et al (2013 Phys. Rev. A 88 014102), to reveal genuine tripartite nonlocality of generalized GHZ (Greenberger-Horne-Zeilinger) class and a subclass of extended GHZ class states Acín et al (2000 Phys. Rev. Lett. 85 1560) thereby proving the conjecture given by Bancal et al (2013 Phys. Rev. A 88 014102) for the GGHZ class and the subclass of extended GHZ states. We compare the violation of this inequality with Svetlichny inequality which reveals the efficiency of the former inequality over the latter to demonstrate genuine nonlocality using the above classes of quantum states. Even in some cases discord monogamy score can be used as a better measure of quantum correlation over Svetlichny inequality for those classes of pure states. Besides, the 99th facet inequality is found efficient not only for revealing genuine nonlocal behavior of correlations emerging in systems using pure entangled states but also in some cases of mixed entangled states over Svetlichny inequality and some well known measures of entanglement.

Center of Excellence for Battlefield Capability Enhancements: Envronmentally Stable Flexible Displays

DTIC Science & Technology

2012-01-18

Lett. 60, 1453 1992. 3D. Look, Thin Solid Films 231, 61 1993. 4R. E. Pritchard, S. A. McQuaid, L. Hart, R. C. Newman , J. Mtikinen, H. J. von...Appl. Phys. 103, 123528 2008. 11F. W. Smith, A. R. Calawa, C. Chen, M. J. Manfra, and L. J. Mahoney , IEEE Electron Device Lett. 9, 77 1988. 12D. B

Comment on 'Electron acceleration by an intense short pulse laser in a static magnetic field in vacuum'

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

Huang Shihua; Wu Fengmin

2006-12-15

K. P. Singh [Phys. Rev. E 69, 056410 (2004)] put forward a scheme of vacuum laser acceleration in a static magnetic field. We point out that one of the assumptions used in their model does not stand on a solid physical ground and that it seriously influences electrons to obtain net energy gains from the laser field.

On the Heat Transfer through a Solid Slab Heated Uniformly and Continuously on One of Its Surfaces

ERIC Educational Resources Information Center

Marin, E.; Lara-Bernal, A.; Calderon, A.; Delgado-Vasallo, O.

2011-01-01

Some peculiarities of the heat transfer through a sample that is heated by the superficial absorption of light energy under continuous uniform illumination are discussed. We explain, using a different approach to that presented in a recent article published in this journal (Salazar "et al" 2010 "Eur. J. Phys." 31 1053-9), that the front surface of…

Nonclassical and semiclassical para-Bose states

NASA Astrophysics Data System (ADS)

Huerta Alderete, C.; Villanueva Vergara, Liliana; Rodríguez-Lara, B. M.

2017-04-01

Motivated by the proposal to simulate para-Bose oscillators in a trapped-ion setup [C. Huerta Alderete and B. M. Rodríguez-Lara, Phys. Rev. A 95, 013820 (2017), 10.1103/PhysRevA.95.013820], we introduce an overcomplete, nonorthogonal basis for para-Bose Hilbert spaces. The states spanning these bases can be experimentally realized in the trapped-ion simulation via time evolution. The para-Bose states show both nonclassical and semiclassical statistics on their Fock state distribution, asymmetric field quadrature variances, and do not minimize the uncertainty relation for the field quadratures. These properties are analytically controlled by the para-Bose order and the evolution time; both parameters might be feasible for fine tuning in the trapped-ion quantum simulation.

Cooperative scattering and radiation pressure force in dense atomic clouds

NASA Astrophysics Data System (ADS)

Bachelard, R.; Piovella, N.; Courteille, Ph. W.

2011-07-01

Atomic clouds prepared in “timed Dicke” states, i.e. states where the phase of the oscillating atomic dipole moments linearly varies along one direction of space, are efficient sources of superradiant light emission [Scully , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.96.010501 96, 010501 (2006)]. Here, we show that, in contrast to previous assertions, timed Dicke states are not the states automatically generated by incident laser light. In reality, the atoms act back on the driving field because of the finite refraction of the cloud. This leads to nonuniform phase shifts, which, at higher optical densities, dramatically alter the cooperative scattering properties, as we show by explicit calculation of macroscopic observables, such as the radiation pressure force.

Rydberg States of Alkali Metal Atoms on Superfluid Helium Droplets - Theoretical Considerations

NASA Astrophysics Data System (ADS)

Pototschnig, Johann V.; Lackner, Florian; Hauser, Andreas W.; Ernst, Wolfgang E.

2017-06-01

The bound states of electrons on the surface of superfluid helium have been a research topic for several decades. One of the first systems treated was an electron bound to an ionized helium cluster. Here, a similar system is considered, which consists of a helium droplet with an ionized dopant inside and an orbiting electron on the outside. In our theoretical investigation we select alkali metal atoms (AK) as central ions, stimulated by recent experimental studies of Rydberg states for Na, Rb, and Cs attached to superfluid helium nanodroplets. Experimental spectra , obtained by electronic excitation and subsequent ionization, showed blueshifts for low lying electronic states and redshifts for Rydberg states. In our theoretical treatment the diatomic AK^+-He potential energy curves are first computed with ab initio methods. These potentials are then used to calculate the solvation energy of the ion in a helium droplet as a function of the number of atoms. Additional potential terms, derived from the obtained helium density distribution, are added to the undisturbed atomic pseudopotential in order to simulate a 'modified' potential felt by the outermost electron. This allows us to compute a new set of eigenstates and eigenenergies, which we compare to the experimentally observed energy shifts for highly excited alkali metal atoms on helium nanodroplets. A. Golov and S. Sekatskii, Physica B, 1994, 194, 555-556 E. Loginov, C. Callegari, F. Ancilotto, and M. Drabbels, J. Phys. Chem. A, 2011, 115, 6779-6788 F. Lackner, G. Krois, M. Koch, and W. E. Ernst, J. Phys. Chem. Lett., 2012, 3, 1404-1408 F. Lackner, G. Krois, M. Theisen, M. Koch, and W. E. Ernst, Phys. Chem. Chem. Phys., 2011, 13, 18781-18788

Photodissociation of OCS: deviations between theory and experiment, and the importance of higher order correlation effects.

PubMed

Schmidt, J A; Olsen, J M H

2014-11-14

The photodissociation of carbonyl sulfide (OCS) was investigated theoretically in a series of studies by Schmidt and co-workers. Initial studies [J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys. 136, 131101 (2012); J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys. 137, 054313 (2012)] found photodissociation in the first UV-band to occur mainly by excitation of the 2(1)A' (A) excited state. However, in a later study [G. C. McBane, J. A. Schmidt, M. S. Johnson, and R. Schinke, J. Chem. Phys. 138, 094314 (2013)] it was found that a significant fraction of photodissociation must occur by excitation of 1(1)A″ (B) excited state to explain the product angular distribution. The branching between excitation of the A and B excited states is determined by the magnitude of the transition dipole moment vectors in the Franck-Condon region. This study examines the sensitivity of these quantities to changes in the employed electronic structure methodology. This study benchmarks the methodology employed in previous studies against highly correlated electronic structure methods (CC3 and MRAQCC) and provide evidence in support of the picture of the OCS photodissociation process presented in [G. C. McBane, J. A. Schmidt, M. S. Johnson, and R. Schinke, J. Chem. Phys. 138, 094314 (2013)] showing that excitation of A and B electronic states both contribute significantly to the first UV absorption band of OCS. In addition, this study presents evidence in support of the assertion that the A state potential energy surface employed in previous studies underestimates the energy at highly bent geometries (γ ∼ 70°) leading to overestimated rotational energy in the product CO.

Torsional, Vibrational and Vibration-Torsional Levels in the S_{1} and Ground Cationic D_{0}^{+} States of Para-Xylene

NASA Astrophysics Data System (ADS)

Gardner, Adrian M.; Tuttle, William Duncan; Groner, Peter; Wright, Timothy G.

2017-06-01

Insight gained from examining the "pure" torsional, vibrational and vibration-torsional (vibtor) levels of the single rotor molecules: toluene (methylbenzene) and para-fluorotoluene (pFT), is applied to the double rotor para-xylene (p-dimethylbenzene) molecule . Resonance-enhanced multiphoton ionization (REMPI) spectroscopy and zero-kinetic-energy (ZEKE) spectroscopy are employed in order to investigate the S_{1} and ground cationic states of para-xylene. Observed transitions are assigned in the full molecular symmetry group (G_{72}) for the first time. J. R. Gascooke, E. A. Virgo, and W. D. Lawrance, J. Chem. Phys., 143, 044313 (2015). A. M. Gardner, W. D. Tuttle, L. Whalley, A. Claydon, J. H. Carter and T. G. Wright, J. Chem. Phys., 145, 124307 (2016). A. M. Gardner, W. D. Tuttle, P. Groner and T. G. Wright, J. Chem. Phys., (2017, in press).

X-ray computed microtomography of sea ice - comment on "A review of air-ice chemical and physical interactions (AICI): liquids, quasi-liquids, and solids in snow" by Bartels-Rausch et al. (2014)

NASA Astrophysics Data System (ADS)

Obbard, R. W.

2015-07-01

This comment addresses a statement made in "A review of air-ice chemical and physical interactions (AICI): liquids, quasi-liquids, and solids in snow" by Bartels-Rausch et al. (Atmos. Chem. Phys., 14, 1587-1633, doi:10.5194/acp-14-1587-2014, 2014). Here we rebut the assertion that X-ray computed microtomography of sea ice fails to reveal liquid brine inclusions by discussing the phases present at the analysis temperature.

WKB calculation of multiple spin exchange in monolayer solid 3He

NASA Astrophysics Data System (ADS)

Ashizawa, Hisayuki; Hirashima, D. S.

2000-10-01

An insight is given into the multiple spin exchange in the registered 3×3 phase of solid 3He adsorbed on graphite with a WKB calculation taking account of the corrugation of the substrate potential. The corrugation is essential for this phase to be realized, and is found to suppress the exchange processes of many (>=4) particles to make only the two- and the three-spin exchanges relevant. When the magnitude of the corrugation is modest, the exchange can be ferromagnetic, in agreement with the experiment by Ikegami et al. [Phys. Rev. Lett. 81, 2478 (1998)]. Validity and limitation of the WKB approximation are also discussed.

State-dependent fluorescence of neutral atoms in optical potentials

NASA Astrophysics Data System (ADS)

Martinez-Dorantes, M.; Alt, W.; Gallego, J.; Ghosh, S.; Ratschbacher, L.; Meschede, D.

2018-02-01

Recently we have demonstrated scalable, nondestructive, and high-fidelity detection of the internal state of 87Rb neutral atoms in optical dipole traps using state-dependent fluorescence imaging [M. Martinez-Dorantes, W. Alt, J. Gallego, S. Ghosh, L. Ratschbacher, Y. Völzke, and D. Meschede, Phys. Rev. Lett. 119, 180503 (2017), 10.1103/PhysRevLett.119.180503]. In this paper we provide experimental procedures and interpretations to overcome the detrimental effects of heating-induced trap losses and state leakage. We present models for the dynamics of optically trapped atoms during state-dependent fluorescence imaging and verify our results by comparing Monte Carlo simulations with experimental data. Our systematic study of dipole force fluctuations heating in optical traps during near-resonant illumination shows that off-resonant light is preferable for state detection in tightly confining optical potentials.

Automated quantum operations in photonic qutrits

NASA Astrophysics Data System (ADS)

Borges, G. F.; Baldijão, R. D.; Condé, J. G. L.; Cabral, J. S.; Marques, B.; Terra Cunha, M.; Cabello, A.; Pádua, S.

2018-02-01

We report an experimental implementation of automated state transformations on spatial photonic qutrits following the theoretical proposal made by Baldijão et al. [Phys. Rev. A 96, 032329 (2017), 10.1103/PhysRevA.96.032329]. A qutrit state is simulated by using three Gaussian beams, and after some state operations, the transformed state is available in the end in terms of the basis state. The state transformation setup uses a spatial light modulator and a calcite-based interferometer. The results reveal the usefulness of the operation method. The experimental data show a good agreement with theoretical predictions, opening possibilities for explorations in higher dimensions and in a wide range of applications. This is a necessary step in qualifying spatial photonic qudits as a competitive setup for experimental research in the implementation of quantum algorithms which demand a large number of steps.

Generating grid states from Schrödinger-cat states without postselection

NASA Astrophysics Data System (ADS)

Weigand, Daniel J.; Terhal, Barbara M.

2018-02-01

Grid (or comb) states are an interesting class of bosonic states introduced by Gottesman, Kitaev, and Preskill [D. Gottesman, A. Kitaev, and J. Preskill, Phys. Rev. A 64, 012310 (2001), 10.1103/PhysRevA.64.012310] to encode a qubit into an oscillator. A method to generate or "breed" a grid state from Schrödinger cat states using beam splitters and homodyne measurements is known [H. M. Vasconcelos, L. Sanz, and S. Glancy, Opt. Lett. 35, 3261 (2010), 10.1364/OL.35.003261], but this method requires postselection. In this paper we show how postprocessing of the measurement data can be used to entirely remove the need for postselection, making the scheme much more viable. We bound the asymptotic behavior of the breeding procedure and demonstrate the efficacy of the method numerically.

Relativistic nuclear magnetic resonance J-coupling with ultrasoft pseudopotentials and the zeroth-order regular approximation

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

Green, Timothy F. G., E-mail: tim.green@materials.ox.ac.uk; Yates, Jonathan R., E-mail: jonathan.yates@materials.ox.ac.uk

2014-06-21

We present a method for the first-principles calculation of nuclear magnetic resonance (NMR) J-coupling in extended systems using state-of-the-art ultrasoft pseudopotentials and including scalar-relativistic effects. The use of ultrasoft pseudopotentials is allowed by extending the projector augmented wave (PAW) method of Joyce et al. [J. Chem. Phys. 127, 204107 (2007)]. We benchmark it against existing local-orbital quantum chemical calculations and experiments for small molecules containing light elements, with good agreement. Scalar-relativistic effects are included at the zeroth-order regular approximation level of theory and benchmarked against existing local-orbital quantum chemical calculations and experiments for a number of small molecules containing themore » heavy row six elements W, Pt, Hg, Tl, and Pb, with good agreement. Finally, {sup 1}J(P-Ag) and {sup 2}J(P-Ag-P) couplings are calculated in some larger molecular crystals and compared against solid-state NMR experiments. Some remarks are also made as to improving the numerical stability of dipole perturbations using PAW.« less

Progress towards a loophole-free test of nonlocality

NASA Astrophysics Data System (ADS)

McCusker, Kevin; Christensen, Bradley; Kwiat, Paul; Altepeter, Joseph

2012-02-01

We report on our progress towards a loophole-free test of nonlocality using spontaneous parametric down-conversion (SPDC). While the timing loophole can be easily closed in such a system by moving the detectors far apart [1], closing the detector loophole is significantly more difficult. In the standard Bell entangled states with the maximal violation of the CHSH inequality [2], an overall efficiency of 83% is required. This limit can be lowered to 67% by using non-maximally entangled states (although sensitivity to noise is greatly increased) [3]. We are carefully engineering our source to achieve maximal heralding efficiency, by optimizing both the spatial and spectral filtering, while keeping noise low using high-extinction-ratio polarizing beamsplitters. Combined with high-efficiency detectors, either optimized visible-light photon counters [4] or transition-edge sensors [5], closure of the detection loophole is within reach. [4pt] [1] G. Weihs et al., Phys. Rev. Lett. 81, 5039 (1998).[2] J. F. Clauser et al., Phys. Rev. Lett. 23, 880 (1969).[3] P.H. Eberhard, Phys. Rev. A 47, R747 (1993).[4] S. Takeuchi et al., Appl. Phys. Lett. 74, 1063 (1999).[5] A. E. Lita, A. J. Miller, and S. Nam, Opt. Exp. 16, 3032 (2008).

The boomerang effect in electron-hydrogen molecule scattering as determined by time-dependent calculations

NASA Astrophysics Data System (ADS)

Ben-Asher, Anael; Moiseyev, Nimrod

2017-05-01

The appearance of oscillations in the energy-dependent cross sections of the vibrational excitation ν =0 →ν ≥3 of the hydrogen molecule in its electronic ground state as predicted by Mündel, Berman, and Domcke [Phys. Rev. A 32, 181 (1985)] was confirmed in the electron scattering experiments by Allan [J. Phys. B: At. Mol. Phys. 18, L451 (1985)]. These unusual structures were obtained in spite of the extremely short lifetime of H2- in its ro-vibrational states. Based on the standard (Hermitian) time-independent scattering calculations, Horáček et al. [Phys. Rev. A 73, 022701 (2006)] associated these oscillations with the boomerang effect. Here, we show the boomerang effect as developed in time, based on our time-dependent nuclear wavepacket (WP) calculations. The nuclear WP dynamics of H2- is determined using the non-Hermitian quantum mechanics (NH-QM) which enables the use of the Born-Oppenheimer approximation with complex potential energy surfaces. This NH-QM approach, which enables us the association of the nuclear WP dynamics as obtained from the complex potential energy curve of H2- with the evolution of cross section in time, can enlighten the dynamics in other scattering experiments.

The boomerang effect in electron-hydrogen molecule scattering as determined by time-dependent calculations.

PubMed

Ben-Asher, Anael; Moiseyev, Nimrod

2017-05-28

The appearance of oscillations in the energy-dependent cross sections of the vibrational excitation ν=0→ν≥3 of the hydrogen molecule in its electronic ground state as predicted by Mündel, Berman, and Domcke [Phys. Rev. A 32, 181 (1985)] was confirmed in the electron scattering experiments by Allan [J. Phys. B: At. Mol. Phys. 18, L451 (1985)]. These unusual structures were obtained in spite of the extremely short lifetime of H 2 - in its ro-vibrational states. Based on the standard (Hermitian) time-independent scattering calculations, Horáček et al. [Phys. Rev. A 73, 022701 (2006)] associated these oscillations with the boomerang effect. Here, we show the boomerang effect as developed in time, based on our time-dependent nuclear wavepacket (WP) calculations. The nuclear WP dynamics of H 2 - is determined using the non-Hermitian quantum mechanics (NH-QM) which enables the use of the Born-Oppenheimer approximation with complex potential energy surfaces. This NH-QM approach, which enables us the association of the nuclear WP dynamics as obtained from the complex potential energy curve of H 2 - with the evolution of cross section in time, can enlighten the dynamics in other scattering experiments.

Optical properties of metal-hydride switchable films

NASA Astrophysics Data System (ADS)

Griessen, Ronald

2001-03-01

In 1996 we discovered that yttrium-, lanthanum-, and rare-earth-hydride (REHx) films [1] protected by a thin palladium layer, exhibit spectacular changes in their optical properties when the hydrogen concentration x is increased from 2 to 3. For example, a 500 nm thick YH2 film is metallic and shiny while YH3 is yellowish and transparent. The transition is reversible, fast [2, 3], and can simply be induced by adding or removing hydrogen from the gas phase, an electrolyte or from an H containing liquid. The optical switching that occurs near the metal-insulator transition of these hydrides is remarkably robust as it is not affected by structural or compositional disorder. It occurs in polycrystalline and epitaxial films, in alloys with cubic or hexagonal crystal structures,and deuterides [4] switch as well as hydrides. At small length scales epitaxial YHx films exhibit surprising structural properties which open the way to pixel-by-pixel optical switching [5]. Colour-neutral switchable mirrors based on RE-Mg alloys [6] can be used in all-solid-state switchable devices. Newest results for Rare-Earth free switchable mirrors will be presented. [1] J. N. Huiberts, R. Griessen, J. H. Rector, R. J. Wijngaarden, J. P. Dekker, D. G. de Groot and N. J. Koeman, Nature 380 (1996) 231; [2] S. J. van der Molen, J. W. J. Kerssemakers, J. H. Rector, N. J. Koeman, B. Dam, R. Griessen, J. Appl. Phys. 86 (1999) 6107; [3] F. J. A. den Broeder, S. J. van der Molen, et al., Nature 394 (1998)656; [4] A. T. M. van Gogh, E. S. Kooij, R. Griessen, Phys. Rev. Lett. 83 (1999) 4614; [5] J. W. J. Kerssemakers, S. J. van der Molen and R. Griessen, Nature 406 (2000) 489; [6] P. van der Sluis, M. Ouwerkerk and P. A. Duine, Appl. Phys. Lett. 70 (1997) 3356.

Chemical Potentials, Activity Coefficients, and Solubility in Aqueous NaCl Solutions: Prediction by Polarizable Force Fields.

PubMed

Moučka, Filip; Nezbeda, Ivo; Smith, William R

2015-04-14

We describe a computationally efficient molecular simulation methodology for calculating the concentration dependence of the chemical potentials of both solute and solvent in aqueous electrolyte solutions, based on simulations of the salt chemical potential alone. We use our approach to study the predictions for aqueous NaCl solutions at ambient conditions of these properties by the recently developed polarizable force fields (FFs) AH/BK3 of Kiss and Baranyai (J. Chem. Phys. 2013, 138, 204507) and AH/SWM4-DP of Lamoureux and Roux (J. Phys. Chem. B 2006, 110, 3308 - 3322) and by the nonpolarizable JC FF of Joung and Cheatham tailored to SPC/E water (J. Phys. Chem. B 2008, 112, 9020 - 9041). We also consider their predictions of the concentration dependence of the electrolyte activity coefficient, the crystalline solid chemical potential, the electrolyte solubility, and the solution specific volume. We first highlight the disagreement in the literature concerning calculations of solubility by means of molecular simulation in the case of the JC FF and provide strong evidence of the correctness of our methodology based on recent independently obtained results for this important test case. We then compare the predictions of the three FFs with each other and with experiment and draw conclusions concerning their relative merits, with particular emphasis on the salt chemical potential and activity coefficient vs concentration curves and their derivatives. The latter curves have only previously been available from Kirkwood-Buff integrals, which require approximate numerical integrations over system pair correlation functions at each concentration. Unlike the case of the other FFs, the AH/BK3 curves are nearly parallel to the corresponding experimental curves at moderate and higher concentrations. This leads to an excellent prediction of the water chemical potential via the Gibbs-Duhem equation and enables the activity coefficient curve to be brought into excellent agreement with experiment by incorporating an appropriate value of the standard state chemical potential in the Henry Law convention.

Direct evidence of three-body interactions in a cold Rb85 Rydberg gas

NASA Astrophysics Data System (ADS)

Han, Jianing

2010-11-01

Cold Rydberg atoms trapped in a magneto-optical trap (MOT) are not isolated and they interact through dipole-dipole and multipole-multipole interactions. First-order dipole-dipole interactions and van der Waals interactions between two atoms have been intensively studied. However, the facts that the first-order dipole-dipole interactions and van der Waals interactions show the same size of broadening [A. Reinhard, K. C. Younge, T. C. Liebisch, B. Knuffman, P. R. Berman, and G. Raithel, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.100.233201 100, 233201 (2008)] and there are transitions between two dimer states [S. M. Farooqi, D. Tong, S. Krishnan, J. Stanojevic, Y. P. Zhang, J. R. Ensher, A. S. Estrin, C. Boisseau, R. Cote, E. E. Eyler, and P. L. Gould, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.91.183002 91, 183002 (2003); K. R. Overstreet, Arne Schwettmann, Jonathan Tallant, and James P. Shaffer, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.76.011403 76, 011403(R) (2007)] cannot be explained by the two-atom picture. The purpose of this article is to show the few-body nature of a dense cold Rydberg gas by studying the molecular-state microwave spectra. Specifically, three-body energy levels have been calculated. Moreover, the transition from three-body energy levels to two-body coupled molecular energy levels and to isolated atomic energy levels as a function of the internuclear spacing is studied. Finally, single-body, two-body, and three-body interaction regions are estimated according to the experimental data. The results reported here provides useful information for plasma formation, further cooling, and superfluid formation.

Using Local Perturbations To Manipulate and Control Pointer States in Quantum Dot Systems

NASA Astrophysics Data System (ADS)

Akis, Richard; Speyer, Gil; Ferry, David; Brunner, Roland

2012-02-01

Recently, scanning gate microscopy (SGM) was used to image scarred wave functions in an open InAs quantum dot[1]. The SGM tip provides a local potential perturbation and imaging is performed by measuring changes in conductance. Scarred wave functions, long associated with quantum chaos, have been shown in open dots to correspond to pointer states[2], eigenstates that survive the decoherence process that occurs via coupling to the environment. Pointer states modulate the conductance, yielding periodic fluctuations and the scars, normally thought unstable, are stabilized by quantum Darwinism [3]. We shall show that, beyond probing, pointer states can be manipulated by local perturbations. Particularly interesting effects occur in coupled quantum dot arrays, where a pointer state localized in one dot can be shifted over into another with a perturbation in a completely different part of the system. These nonlocal effects may perhaps be exploited to give such systems an exotic functionality. [1] A. M. Burke, R. Akis, T. E. Day, Gil Speyer, D. K. Ferry, and B. R. Bennett, Phys. Rev. Lett. 104, 176801 (2010). [2] D. K. Ferry, R. Akis, and J. P. Bird, Phys. Rev. Lett. 104, 176801 (2004). [3] R. Brunner, R. Akis,D. K. Ferry, F. Kuchar,and R. Meisels, Phys. Rev. Lett. 101, 024102 (2008).

Comment on ``Teleportation of two-mode squeezed states''

NASA Astrophysics Data System (ADS)

He, Guangqiang; Zhang, Jingtao

2011-10-01

We investigate the teleportation scheme of two-mode squeezed states proposed by Adhikari [S. Adhikari , Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.77.012337 77, 012337 (2008)]. It uses four-mode entangled states to teleport two-mode squeezed states. The fidelity between the original two-mode squeezed states and teleported ones is calculated. The maximal fidelity value of Adhikari's protocol is 0.38, which is incompatible with the fidelity definition with the maximal value 1. In our opinion, one reason is that they calculate the fidelity for multimodes Gaussian states using the fidelity formula for single-mode ones. Another reason is that the covariance matrix of output states should be what is obtained after applying the linear unitary Bogoliubov operations (two cascaded Fourier transformations) on the covariance matrix given in Eq. (12) in their paper. These two reasons result in the incomparable results. In addition, Adhikari's protocol can be simplified to be easily implemented.

Singly and Doubly Excited States of the D-Dimensional Helium Atom(Supported by DOD-ONR N00014-94-1-0998)

NASA Astrophysics Data System (ADS)

Carzoli, J.; Dunn, M.; Watson, D. K.

1998-05-01

Large order dimensional perturbation theory (DPT) has been used to study the ground and a number of excited states of two-electron atoms for the case L=0. Here we present the first application of recent work generalizing DPT to higher angular momentum.(M. Dunn, D.K. Watson, Ann. Phys. 251 (1996) 266)^,(M. Dunn, D.K. Watson, The Large Dimension Limit of Higher Angular Momentum States. Phys. Rev. A. (accepted for publication)) In this work we begin the investigation of P^o states, presenting results for the energies of some of the lowest lying states and discuss the analytic structure of these energies as functions of 1/D. We also obtain energies of corresponding D^o states with almost no additional effort by making use of interdimensional degeneracies with the P^o states.

A generalized theoretical framework for the description of spin decoupling in solid-state MAS NMR: Offset effect on decoupling performance

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

Tan, Kong Ooi; Meier, Beat H., E-mail: beme@ethz.ch, E-mail: maer@ethz.ch; Ernst, Matthias, E-mail: beme@ethz.ch, E-mail: maer@ethz.ch

2016-09-07

We present a generalized theoretical framework that allows the approximate but rapid analysis of residual couplings of arbitrary decoupling sequences in solid-state NMR under magic-angle spinning conditions. It is a generalization of the tri-modal Floquet analysis of TPPM decoupling [Scholz et al., J. Chem. Phys. 130, 114510 (2009)] where three characteristic frequencies are used to describe the pulse sequence. Such an approach can be used to describe arbitrary periodic decoupling sequences that differ only in the magnitude of the Fourier coefficients of the interaction-frame transformation. It allows a ∼100 times faster calculation of second-order residual couplings as a function ofmore » pulse sequence parameters than full spin-dynamics simulations. By comparing the theoretical calculations with full numerical simulations, we show the potential of the new approach to examine the performance of decoupling sequences. We exemplify the usefulness of this framework by analyzing the performance of commonly used high-power decoupling sequences and low-power decoupling sequences such as amplitude-modulated XiX (AM-XiX) and its super-cycled variant SC-AM-XiX. In addition, the effect of chemical-shift offset is examined for both high- and low-power decoupling sequences. The results show that the cross-terms between the dipolar couplings are the main contributions to the line broadening when offset is present. We also show that the SC-AM-XIX shows a better offset compensation.« less

A generalized theoretical framework for the description of spin decoupling in solid-state MAS NMR: Offset effect on decoupling performance.

PubMed

Tan, Kong Ooi; Agarwal, Vipin; Meier, Beat H; Ernst, Matthias

2016-09-07

We present a generalized theoretical framework that allows the approximate but rapid analysis of residual couplings of arbitrary decoupling sequences in solid-state NMR under magic-angle spinning conditions. It is a generalization of the tri-modal Floquet analysis of TPPM decoupling [Scholz et al., J. Chem. Phys. 130, 114510 (2009)] where three characteristic frequencies are used to describe the pulse sequence. Such an approach can be used to describe arbitrary periodic decoupling sequences that differ only in the magnitude of the Fourier coefficients of the interaction-frame transformation. It allows a ∼100 times faster calculation of second-order residual couplings as a function of pulse sequence parameters than full spin-dynamics simulations. By comparing the theoretical calculations with full numerical simulations, we show the potential of the new approach to examine the performance of decoupling sequences. We exemplify the usefulness of this framework by analyzing the performance of commonly used high-power decoupling sequences and low-power decoupling sequences such as amplitude-modulated XiX (AM-XiX) and its super-cycled variant SC-AM-XiX. In addition, the effect of chemical-shift offset is examined for both high- and low-power decoupling sequences. The results show that the cross-terms between the dipolar couplings are the main contributions to the line broadening when offset is present. We also show that the SC-AM-XIX shows a better offset compensation.

Simple calculation of ab initio melting curves: Application to aluminum.

PubMed

Robert, Grégory; Legrand, Philippe; Arnault, Philippe; Desbiens, Nicolas; Clérouin, Jean

2015-03-01

We present a simple, fast, and promising method to compute the melting curves of materials with ab initio molecular dynamics. It is based on the two-phase thermodynamic model of Lin et al [J. Chem. Phys. 119, 11792 (2003)] and its improved version given by Desjarlais [Phys. Rev. E 88, 062145 (2013)]. In this model, the velocity autocorrelation function is utilized to calculate the contribution of the nuclei motion to the entropy of the solid and liquid phases. It is then possible to find the thermodynamic conditions of equal Gibbs free energy between these phases, defining the melting curve. The first benchmark on the face-centered cubic melting curve of aluminum from 0 to 300 GPa demonstrates how to obtain an accuracy of 5%-10%, comparable to the most sophisticated methods, for a much lower computational cost.

Measurement of high-pressure shock waves in cryogenic deuterium-tritium ice layered capsule implosions on NIF.

PubMed

Robey, H F; Moody, J D; Celliers, P M; Ross, J S; Ralph, J; Le Pape, S; Berzak Hopkins, L; Parham, T; Sater, J; Mapoles, E R; Holunga, D M; Walters, C F; Haid, B J; Kozioziemski, B J; Dylla-Spears, R J; Krauter, K G; Frieders, G; Ross, G; Bowers, M W; Strozzi, D J; Yoxall, B E; Hamza, A V; Dzenitis, B; Bhandarkar, S D; Young, B; Van Wonterghem, B M; Atherton, L J; Landen, O L; Edwards, M J; Boehly, T R

2013-08-09

The first measurements of multiple, high-pressure shock waves in cryogenic deuterium-tritium (DT) ice layered capsule implosions on the National Ignition Facility have been performed. The strength and relative timing of these shocks must be adjusted to very high precision in order to keep the DT fuel entropy low and compressibility high. All previous measurements of shock timing in inertial confinement fusion implosions [T. R. Boehly et al., Phys. Rev. Lett. 106, 195005 (2011), H. F. Robey et al., Phys. Rev. Lett. 108, 215004 (2012)] have been performed in surrogate targets, where the solid DT ice shell and central DT gas regions were replaced with a continuous liquid deuterium (D2) fill. This report presents the first experimental validation of the assumptions underlying this surrogate technique.

Communication: Unraveling the 4He droplet-mediated soft-landing from ab initio-assisted and time-resolved density functional simulations: Au@4He300/TiO2(110)

NASA Astrophysics Data System (ADS)

de Lara-Castells, María Pilar; Aguirre, Néstor F.; Stoll, Hermann; Mitrushchenkov, Alexander O.; Mateo, David; Pi, Martí

2015-04-01

An ab-initio-based methodological scheme for He-surface interactions and zero-temperature time-dependent density functional theory for superfluid 4He droplets motion are combined to follow the short-time collision dynamics of the Au@4He300 system with the TiO2(110) surface. This composite approach demonstrates the 4He droplet-assisted sticking of the metal species to the surface at low landing energy (below 0.15 eV/atom), thus providing the first theoretical evidence of the experimentally observed 4He droplet-mediated soft-landing deposition of metal nanoparticles on solid surfaces [Mozhayskiy et al., J. Chem. Phys. 127, 094701 (2007) and Loginov et al., J. Phys. Chem. A 115, 7199 (2011)].

Ionic and electronic transport properties in dense plasmas by orbital-free density functional theory

DOE PAGES

Sjostrom, Travis; Daligault, Jérôme

2015-12-09

We validate the application of our recent orbital-free density functional theory (DFT) approach, [Phys. Rev. Lett. 113, 155006 (2014)], for the calculation of ionic and electronic transport properties of dense plasmas. To this end, we calculate the self-diffusion coefficient, the viscosity coefficient, the electrical and thermal conductivities, and the reflectivity coefficient of hydrogen and aluminum plasmas. Very good agreement is found with orbital-based Kohn-Sham DFT calculations at lower temperatures. Because the computational costs of the method do not increase with temperature, we can produce results at much higher temperatures than is accessible by the Kohn-Sham method. Our results for warmmore » dense aluminum at solid density are inconsistent with the recent experimental results reported by Sperling et al. [Phys. Rev. Lett. 115, 115001 (2015)].« less

Penning trap mass measurement of 72Br

NASA Astrophysics Data System (ADS)

Valverde, A. A.; Bollen, G.; Cooper, K.; Eibach, M.; Gulyuz, K.; Izzo, C.; Morrissey, D. J.; Ringle, R.; Sandler, R.; Schwarz, S.; Sumithrarachchi, C. S.; Villari, A. C. C.

2015-03-01

The Low Energy Beam and Ion Trap (LEBIT) Penning trap mass spectrometer was used to perform an improved-precision mass measurement of 72Br and the low-lying isomeric state, Brm72, giving mass excesses of -59 062.2 (1.0 )keV and -58 960.9 (1.2 )keV , respectively. These values are consistent with the values from the 2012 atomic mass evaluation [Chin. Phys. C 36, 1603 (2012), 10.1088/1674-1137/36/12/003] and the Nubase2012 evaluation of nuclear properties [Chin. Phys. C 36, 1157 (2012), 10.1088/1674-1137/36/12/001]. The uncertainties on the mass of the ground state and isomeric state have been reduced by a factor of seven.

Topological degeneracy of non-Abelian states for dummies

NASA Astrophysics Data System (ADS)

Oshikawa, Masaki; Kim, Yong Baek; Shtengel, Kirill; Nayak, Chetan; Tewari, Sumanta

2007-06-01

We present a physical construction of degenerate groundstates of the Moore-Read Pfaffian states, which exhibits non-Abelian statistics, on general Riemann surface with genus g. The construction is given by a generalization of the recent argument [M.O., T. Senthil, Phys. Rev. Lett. 96 (2006) 060601] which relates fractionalization and topological order. The nontrivial groundstate degeneracy obtained by Read and Green [Phys. Rev. B 61 (2000) 10267] based on differential geometry is reproduced exactly. Some restrictions on the statistics, due to the fractional charge of the quasiparticle are also discussed. Furthermore, the groundstate degeneracy of the p + i p superconductor in two dimensions, which is closely related to the Pfaffian states, is discussed with a similar construction.

Decoherence-free evolution of time-dependent superposition states of two-level systems and thermal effects

NASA Astrophysics Data System (ADS)

Prado, F. O.; de Almeida, N. G.; Duzzioni, E. I.; Moussa, M. H. Y.; Villas-Boas, C. J.

2011-07-01

In this paper we detail some results advanced in a recent letter [Prado , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.102.073008 102, 073008 (2009).] showing how to engineer reservoirs for two-level systems at absolute zero by means of a time-dependent master equation leading to a nonstationary superposition equilibrium state. We also present a general recipe showing how to build nonadiabatic coherent evolutions of a fermionic system interacting with a bosonic mode and investigate the influence of thermal reservoirs at finite temperature on the fidelity of the protected superposition state. Our analytical results are supported by numerical analysis of the full Hamiltonian model.

Surfactant-Enhanced Benard Convection on an Evaporating Drop

NASA Astrophysics Data System (ADS)

Nguyen, Van X.; Stebe, Kathleen J.

2001-11-01

Surfactant effects on an evaporating drop are studied experimentally. Using a fluorescent probe, the distribution and surface phase of the surfactant is directly imaged throughout the evaporation process. From these experiments, we identify conditions in which surfactants promote surface tension-driven Benard instabilities in aqueous systems. The drops under study contain finely divided particles, which act as tracers in the flow, and form well-defined patterns after the drop evaporates. Two flow fields have been reported in this system. The first occurs because the contact line becomes pinned by solid particles at the contact line region. In order for the contact line to remain fixed, an outward flow toward the ring results, driving further accumulation at the contact ring. A ‘coffee ring’ of particles is left as residue after the drop evaporates[1]. The second flow is Benard convection, driven by surface tension gradients on the drop[2,3]. In our experiments, an insoluble monolayer of pentadecanoic acid is spread at the interface of a pendant drop. The surface tension is recorded, and the drop is deposited on a well-defined solid substrate. Fluorescent images of the surface phase of the surfactant are recorded as the drop evaporates. The surfactant monolayer assumes a variety of surface states as a function of the area per molecule at the interface: surface gaseous, surface liquid expanded, and surface liquid condensed phases[4]. Depending upon the surface state of the surfactant as the drop evaporates, transitions of residue patterns left by the particles occur, from the coffee ring pattern to Benard cells to irregular patterns, suggesting a strong resistance to outward flow are observed. The occurrence of Benard cells on a surfactant-rich interface occurs when the interface is in LE-LC coexistence. Prior research concerning surfactant effects on this instability predict that surfactants are strongly stabilizing[5]. The mechanisms for this change in behavior are discussed. References: [1]R. D. Deegan,, PRE 61,475 (2000). [2]M. Maillard et al., J. Phys. Chem. B 104, 11871 (2000). [3]H. Wang et al. Langmuir 15, 957 (2001). [4]B. G. Moore et al., J. Phys. Chem. 94, 4588 (1990). [5]J. C. Berg & A. Acrivos, Chem. Eng. Sci. 20,737 (1965).

Energy transfer in compressible magnetohydrodynamic turbulence for isothermal self-gravitating fluids

NASA Astrophysics Data System (ADS)

Banerjee, Supratik; Kritsuk, Alexei G.

2018-02-01

Three-dimensional, compressible, magnetohydrodynamic turbulence of an isothermal, self-gravitating fluid is analyzed using two-point statistics in the asymptotic limit of large Reynolds numbers (both kinetic and magnetic). Following an alternative formulation proposed by Banerjee and Galtier [Phys. Rev. E 93, 033120 (2016), 10.1103/PhysRevE.93.033120; J. Phys. A: Math. Theor. 50, 015501 (2017), 10.1088/1751-8113/50/1/015501], an exact relation has been derived for the total energy transfer. This approach results in a simpler relation expressed entirely in terms of mixed second-order structure functions. The kinetic, thermodynamic, magnetic, and gravitational contributions to the energy transfer rate can be easily separated in the present form. By construction, the new formalism includes such additional effects as global rotation, the Hall term in the induction equation, etc. The analysis shows that solid-body rotation cannot alter the energy flux rate of compressible turbulence. However, the contribution of a uniform background magnetic field to the flux is shown to be nontrivial unlike in the incompressible case. Finally, the compressible, turbulent energy flux rate does not vanish completely due to simple alignments, which leads to a zero turbulent energy flux rate in the incompressible case.

Energy transfer in compressible magnetohydrodynamic turbulence for isothermal self-gravitating fluids.

PubMed

Banerjee, Supratik; Kritsuk, Alexei G

2018-02-01

Three-dimensional, compressible, magnetohydrodynamic turbulence of an isothermal, self-gravitating fluid is analyzed using two-point statistics in the asymptotic limit of large Reynolds numbers (both kinetic and magnetic). Following an alternative formulation proposed by Banerjee and Galtier [Phys. Rev. E 93, 033120 (2016)2470-004510.1103/PhysRevE.93.033120; J. Phys. A: Math. Theor. 50, 015501 (2017)1751-811310.1088/1751-8113/50/1/015501], an exact relation has been derived for the total energy transfer. This approach results in a simpler relation expressed entirely in terms of mixed second-order structure functions. The kinetic, thermodynamic, magnetic, and gravitational contributions to the energy transfer rate can be easily separated in the present form. By construction, the new formalism includes such additional effects as global rotation, the Hall term in the induction equation, etc. The analysis shows that solid-body rotation cannot alter the energy flux rate of compressible turbulence. However, the contribution of a uniform background magnetic field to the flux is shown to be nontrivial unlike in the incompressible case. Finally, the compressible, turbulent energy flux rate does not vanish completely due to simple alignments, which leads to a zero turbulent energy flux rate in the incompressible case.

Multichannel-quantum-defect-theory treatment of preionized and predissociated triplet gerade levels of H2

NASA Astrophysics Data System (ADS)

Matzkin, A.; Jungen, Ch.; Ross, S. C.

2000-12-01

Multichannel quantum defect theory (MQDT) is used to calculate highly excited predissociated and preionized triplet gerade states of H2. The treatment is ab initio and is based on the clamped-nuclei quantum-defect matrices and dipole transition moments derived from quantum-chemical potential energy curves by Ross et al. [Can. J. Phys. (to be published)]. Level positions, predissociation or preionization widths and relative intensities are found to be in good agreement with those observed by Lembo et al. [Phys. Rev. A 38, 3447 (1988); J. Chem. Phys. 92, 2219 (1990)] by an optical-optical double resonance photoionization or depletion technique.

Properties of the State of the Art of Bulk III-V Nitride Substrates and Homoepitaxial Layers

DTIC Science & Technology

2010-01-01

Bockowski M, Kamler G, Litwin -Staszewska E and Porowski S 2005 J. Cryst. Growth 281 38 [69] Grzegory I, Lucznik B, Bockowski M, Pastuszka B, Kamler G...and Han J Y 2002 Phys. Rev. B 66 233311 [106] Litwin -Staszewska E et al 1999 Phys. Status Solidi b 216 567 [107] Freitas J A Jr, Gowda M, Tischler J

Wigner tomography of multispin quantum states

NASA Astrophysics Data System (ADS)

Leiner, David; Zeier, Robert; Glaser, Steffen J.

2017-12-01

We study the tomography of multispin quantum states in the context of finite-dimensional Wigner representations. An arbitrary operator can be completely characterized and visualized using multiple shapes assembled from linear combinations of spherical harmonics [A. Garon, R. Zeier, and S. J. Glaser, Phys. Rev. A 91, 042122 (2015), 10.1103/PhysRevA.91.042122]. We develop a general methodology to experimentally recover these shapes by measuring expectation values of rotated axial spherical tensor operators and provide an interpretation in terms of fictitious multipole potentials. Our approach is experimentally demonstrated for quantum systems consisting of up to three spins using nuclear magnetic resonance spectroscopy.

Response to ``Comment on `Excitations in photoactive molecules from quantum Monte Carlo' '' [J. Chem. Phys. 122, 087101 (2005)

NASA Astrophysics Data System (ADS)

Filippi, Claudia; Buda, Francesco

2005-02-01

We find that regions of the excited state potential energy surface of formaldimine, which are accessible from the Franck-Condon configuration, are incorrectly described by the restricted open-shell Kohn-Sham (ROKS) approach. In these regions, the deviations of the ROKS energies from the time-dependent density functional theory results are not a simple shift. Contrary to what is argued in the Comment by Doltsinis and Fink [J. Chem. Phys.XX, XXX (2004)], these differences can play a role in the excited state molecular dynamics of formaldimine at finite temperature.

Rovibrational states of interstitial H2 in Si

NASA Astrophysics Data System (ADS)

Koch, S.; Lavrov, E. V.; Weber, J.

2011-06-01

Rovibrational Q(J) transitions of the interstitial H2 molecule in Si have been investigated by Raman scattering in the temperature range 90-388 K. In accordance with an earlier suggestion [M. Hiller, E. V. Lavrov, and J. Weber, Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.74.235214 74, 235214 (2006)], it is shown that the Q(2) transition of para hydrogen couples to the TAX phonon of Si and appears in the Raman spectra at temperatures above 200 K. The results presented also indicate that the rotational J=3 state of ortho hydrogen is resonantly coupled to the OΓ phonon.

Entanglement-assisted transformation is asymptotically equivalent to multiple-copy transformation

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

Duan Runyao; Feng Yuan; Ying Mingsheng

2005-08-15

We show that two ways of manipulating quantum entanglement - namely, entanglement-assisted local transformation [D. Jonathan and M. B. Plenio, Phys. Rev. Lett. 83, 3566 (1999)] and multiple-copy transformation [S. Bandyopadhyay, V. Roychowdhury, and U. Sen, Phys. Rev. A 65, 052315 (2002)]--are equivalent in the sense that they can asymptotically simulate each other's ability to implement a desired transformation from a given source state to another given target state with the same optimal success probability. As a consequence, this yields a feasible method to evaluate the optimal conversion probability of an entanglement-assisted transformation.

Solid phase stability of molybdenum under compression: Sound velocity measurements and first-principles calculations

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

Zhang, Xiulu; Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology, 621010 Mianyang, Sichuan; Liu, Zhongli

2015-02-07

The high-pressure solid phase stability of molybdenum (Mo) has been the center of a long-standing controversy on its high-pressure melting. In this work, experimental and theoretical researches have been conducted to check its solid phase stability under compression. First, we performed sound velocity measurements from 38 to 160 GPa using the two-stage light gas gun and explosive loading in backward- and forward-impact geometries, along with the high-precision velocity interferometry. From the sound velocities, we found no solid-solid phase transition in Mo before shock melting, which does not support the previous solid-solid phase transition conclusion inferred from the sharp drops of themore » longitudinal sound velocity [Hixson et al., Phys. Rev. Lett. 62, 637 (1989)]. Then, we searched its structures globally using the multi-algorithm collaborative crystal structure prediction technique combined with the density functional theory. By comparing the enthalpies of body centered cubic structure with those of the metastable structures, we found that bcc is the most stable structure in the range of 0–300 GPa. The present theoretical results together with previous ones greatly support our experimental conclusions.« less

Practical Bayesian tomography

NASA Astrophysics Data System (ADS)

Granade, Christopher; Combes, Joshua; Cory, D. G.

2016-03-01

In recent years, Bayesian methods have been proposed as a solution to a wide range of issues in quantum state and process tomography. State-of-the-art Bayesian tomography solutions suffer from three problems: numerical intractability, a lack of informative prior distributions, and an inability to track time-dependent processes. Here, we address all three problems. First, we use modern statistical methods, as pioneered by Huszár and Houlsby (2012 Phys. Rev. A 85 052120) and by Ferrie (2014 New J. Phys. 16 093035), to make Bayesian tomography numerically tractable. Our approach allows for practical computation of Bayesian point and region estimators for quantum states and channels. Second, we propose the first priors on quantum states and channels that allow for including useful experimental insight. Finally, we develop a method that allows tracking of time-dependent states and estimates the drift and diffusion processes affecting a state. We provide source code and animated visual examples for our methods.

Experimental demonstration of real-time adaptive one-qubit quantum-state tomography

NASA Astrophysics Data System (ADS)

Yin, Qi; Li, Li; Xiang, Xiao; Xiang, Guo-Yong; Li, Chuang-Feng; Guo, Guang-Can

2017-01-01

Quantum-state tomography plays a pivotal role in quantum computation and information processing. To improve the accuracy in estimating an unknown state, carefully designed measurement schemes, such as adopting an adaptive strategy, are necessarily needed, which have gained great interest recently. In this work, based on the proposal of Sugiyama et al. [Phys. Rev. A 85, 052107 (2012)], 10.1103/PhysRevA.85.052107, we experimentally realize an adaptive quantum-state tomography for one qubit in an optical system. Since this scheme gives an analytical solution to the optimal measurement basis problem, our experiment is updated in real time and the infidelity between the real state and the estimated state is tracked with the detected photons. We observe an almost 1 /N scaling rule of averaged infidelity against the overall number of photons, N , in our experiment, which outperforms 1 /√{N } of nonadaptive schemes.

Cryptanalysis on a scheme to share information via employing a discrete algorithm to quantum states

NASA Astrophysics Data System (ADS)

Amellal, H.; Meslouhi, A.; El Baz, M.; Hassouni, Y.; El Allati, A.

2017-03-01

Recently, Yang and Hwang [Int. J. Theor. Phys. 53, 224 (2014)] demonstrated that the scheme to share information via employing discrete algorithm to quantum states presented by Kang and Fang [Commun. Theor. Phys. 55, 239 (2011)] suffers from a major vulnerability allowing an eavesdropper to perform a measurement and resend attack. By introducing an additional checking state framework, the authors have proposed an improved protocol to overcome this weakness. This work calls into question the invoked vulnerability in order to clarify a misinterpretation in the same protocol stages also introduce a possible leakage information strategy, known as a faked state attack, despite the proposed improvement, which means that the same security problem may persist. Finally, an upgrading technic was introduced in order to enhance the security transmission.

Comment on 'The diatomic dication CuZn{sup 2+} in the gas phase' [J. Chem. Phys. 135, 034306 (2011)

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

Fiser, Jiri; Diez, Reinaldo Pis; Franzreb, Klaus

2013-02-21

In this Comment, the density functional theory (DFT) calculations carried out by Diez et al. [J. Chem. Phys. 135, 034306 (2011)] are revised within the framework of the coupled-cluster single double triple method. These more sophisticated calculations allow us to show that the {sup 2}{Sigma}{sup +} electronic ground state of CuZn{sup 2+}, characterized as the metastable ground state by DFT calculations, is a repulsive state instead. The {sup 2}{Delta} and {sup 2}{Pi} metastable states of CuZn{sup 2+}, on the other hand, should be responsible for the formation mechanism of the dication through the near-resonant electron transfer CuZn{sup +}+ Ar{sup +}{yields}more » CuZn{sup 2+}+ Ar reaction.« less

Finsler-Geometric Continuum Dynamics and Shock Compression

DTIC Science & Technology

2018-01-01

An important mathe - matical device used in the current derivations centers on the divergence theorem of Finsler geometry first presented by Rund...carbide ceramic. Philos Mag 92:2860–2893 Clayton JD (2012b)On anholonomic deformation, geometry, and differentiation. Math Mech Solids 17:702–735 Clayton... Math Phys 2015:828475 Clayton JD (2015b) Penetration resistance of armor ceramics: dimensional analysis and property correlations. Int J Impact Eng

IR Window Studies

DTIC Science & Technology

1975-09-30

significantly greater, ami leads to appre- ciable temperature gradients within the acoustic penetration depth. As an example the absorption model shown in...Watervllle, N.H. 1975). 2. J. H. Parks, D. A. Rockwell, T. S. Colbert , K. M. Lakln, and D. Mlh, Appl. Phys. Lett. 25, 537 (1974). ~ 3. D. A...Rockwell, T. S. Colbert , and J. H. Parks, in Proceedings of the International Conference on Optical Properties of Highly Transparent Solids, edited

Molecular Simulations of Dynamic Processes of Solid Explosives

DTIC Science & Technology

2004-12-01

compression. Therefore, we analyzed the dynamics of the energetic crystals RDX , HMX , HNIW and PETN under hydrostatic compression conditions using...for the RDX , HMX and HNIW crystals were found in good agreement with experimental values over the entire range of pressures investigated...Theoretical studies of the hydrostatic compression of RDX , HMX , HNIW, and PETN crystals, J. Phys. Chem. B 103, 6783. scu, D. C.; Rice, B. M. and

Suppression of tunneling two-level systems in ultrastable glasses of indomethacin.

PubMed

Pérez-Castañeda, Tomás; Rodríguez-Tinoco, Cristian; Rodríguez-Viejo, Javier; Ramos, Miguel A

2014-08-05

Glasses and other noncrystalline solids exhibit thermal and acoustic properties at low temperatures anomalously different from those found in crystalline solids, and with a remarkable degree of universality. Below a few kelvin, these universal properties have been successfully interpreted using the tunneling model, which has enjoyed (almost) unanimous recognition for decades. Here we present low-temperature specific-heat measurements of ultrastable glasses of indomethacin that clearly show the disappearance of the ubiquitous linear contribution traditionally ascribed to the existence of tunneling two-level systems (TLS). When the ultrastable thin-film sample is thermally converted into a conventional glass, the material recovers a typical amount of TLS. This remarkable suppression of the TLS found in ultrastable glasses of indomethacin is argued to be due to their particular anisotropic and layered character, which strongly influences the dynamical network and may hinder isotropic interactions among low-energy defects, rather than to the thermodynamic stabilization itself. This explanation may lend support to the criticisms by Leggett and others [Yu CC, Leggett AJ (1988) Comments Condens Matter Phys 14(4):231-251; Leggett AJ, Vural DC (2013) J Phys Chem B 117(42):12966-12971] to the standard tunneling model, although more experiments in different kinds of ultrastable glasses are needed to ascertain this hypothesis.

Immotile Active Matter: Activity from Death and Reproduction

NASA Astrophysics Data System (ADS)

Kalziqi, Arben; Yanni, David; Thomas, Jacob; Ng, Siu Lung; Vivek, Skanda; Hammer, Brian K.; Yunker, Peter J.

2018-01-01

Unlike equilibrium atomic solids, biofilms—soft solids composed of bacterial cells—do not experience significant thermal fluctuations at the constituent level. However, living cells stochastically reproduce and die, provoking a mechanical response. We investigate the mechanical consequences of cellular death and reproduction by measuring surface-height fluctuations of biofilms containing two mutually antagonistic strains of Vibrio cholerae that kill one another on contact via the type VI secretion system. While studies of active matter typically focus on activity via constituent mobility, here, activity is mediated by reproduction and death events in otherwise immobilized cells. Biofilm surface topography is measured in the nearly homeostatic limit via white light interferometry. Although biofilms are far from equilibrium systems, measured surface-height fluctuation spectra resemble the spectra of thermal permeable membranes but with an activity-mediated effective temperature, as predicted by Risler, Peilloux, and Prost [Phys. Rev. Lett. 115, 258104 (2015), 10.1103/PhysRevLett.115.258104]. By comparing the activity of killer strains of V. cholerae with that of genetically modified strains that cannot kill each other and validating with individual-based simulations, we demonstrate that extracted effective temperatures increase with the amount of death and reproduction and that death and reproduction can fluidize biofilms. Together, these observations demonstrate the unique physical consequences of activity mediated by death and reproduction events.

Immotile Active Matter: Activity from Death and Reproduction.

PubMed

Kalziqi, Arben; Yanni, David; Thomas, Jacob; Ng, Siu Lung; Vivek, Skanda; Hammer, Brian K; Yunker, Peter J

2018-01-05

Unlike equilibrium atomic solids, biofilms-soft solids composed of bacterial cells-do not experience significant thermal fluctuations at the constituent level. However, living cells stochastically reproduce and die, provoking a mechanical response. We investigate the mechanical consequences of cellular death and reproduction by measuring surface-height fluctuations of biofilms containing two mutually antagonistic strains of Vibrio cholerae that kill one another on contact via the type VI secretion system. While studies of active matter typically focus on activity via constituent mobility, here, activity is mediated by reproduction and death events in otherwise immobilized cells. Biofilm surface topography is measured in the nearly homeostatic limit via white light interferometry. Although biofilms are far from equilibrium systems, measured surface-height fluctuation spectra resemble the spectra of thermal permeable membranes but with an activity-mediated effective temperature, as predicted by Risler, Peilloux, and Prost [Phys. Rev. Lett. 115, 258104 (2015)PRLTAO0031-900710.1103/PhysRevLett.115.258104]. By comparing the activity of killer strains of V. cholerae with that of genetically modified strains that cannot kill each other and validating with individual-based simulations, we demonstrate that extracted effective temperatures increase with the amount of death and reproduction and that death and reproduction can fluidize biofilms. Together, these observations demonstrate the unique physical consequences of activity mediated by death and reproduction events.

Instability in radiatively melted silicon films

NASA Astrophysics Data System (ADS)

Jackson, K. A.; Kurtze, Douglas A.

1985-04-01

Bosch and Lemons [Phys. Rev. Letters 47 (1981) 1151] were first to report that on heating of silicon with a laser, the heated area can break up into small regions of solid and liquid. Thus phenomenon produces undesirable surface roughness on silicon which has been melted using irradiation from a laser or heat lamps. It is due to the higher reflectivity of liquid silicon so that radiative heating produces small regions of superheated solid in contact with small regions of supercooled liquid. In this paper, the instabilities resulting from this unusual thermal situation have been analyzed. It is shown that a stable pattern can develop provided that the spacing between the solid and liquid is small enough. For a 1/2 μm thick layer of polysilicon on silica, the calculated stable spacing is less than about 10 μm, in accord with experiment.

FOREWORD: Computational methodologies for designing materials Computational methodologies for designing materials

NASA Astrophysics Data System (ADS)

Rahman, Talat S.

2009-02-01

It would be fair to say that in the past few decades, theory and computer modeling have played a major role in elucidating the microscopic factors that dictate the properties of functional novel materials. Together with advances in experimental techniques, theoretical methods are becoming increasingly capable of predicting properties of materials at different length scales, thereby bringing in sight the long-sought goal of designing material properties according to need. Advances in computer technology and their availability at a reasonable cost around the world have made tit all the more urgent to disseminate what is now known about these modern computational techniques. In this special issue on computational methodologies for materials by design we have tried to solicit articles from authors whose works collectively represent the microcosm of developments in the area. This turned out to be a difficult task for a variety of reasons, not the least of which is space limitation in this special issue. Nevertheless, we gathered twenty articles that represent some of the important directions in which theory and modeling are proceeding in the general effort to capture the ability to produce materials by design. The majority of papers presented here focus on technique developments that are expected to uncover further the fundamental processes responsible for material properties, and for their growth modes and morphological evolutions. As for material properties, some of the articles here address the challenges that continue to emerge from attempts at accurate descriptions of magnetic properties, of electronically excited states, and of sparse matter, all of which demand new looks at density functional theory (DFT). I should hasten to add that much of the success in accurate computational modeling of materials emanates from the remarkable predictive power of DFT, without which we would not be able to place the subject on firm theoretical grounds. As we know and will also see from the collection of works here, DFT also provides a platform for testing, improving, and evaluating the feasibility of more approximate methods whose need has become even more urgent. This is understandable since functional materials, given their limited translational symmetry, necessitate the usage of unit cells with a large number of atoms (sometimes in hundreds). Even if DFT codes were efficient enough to handle several hundred atoms in the calculational super-cell, the extraction of equilibrium geometry for such systems requires injection of more efficient methodology, as geometry is the input and not the output of a DFT calculation. Equally important is the need to calculate the temperature dependencies of material properties and for simulations to be carried out at length scales suitable for incorporating kinetic effects from competing processes and cooperative effects from constituting entities. It is true that codes based on DFT are becoming increasingly efficient and that methods such as ab initio molecular dynamics simulations are available for simulations of systems at temperatures above 0 K. However, such approaches still have a way to go before they can be readily applied to materials with complex geometries and composition, and for time and length scales that are relevant to realistic environments in the laboratory. Several articles here represent some of the recent advances towards 'multi-scale' modeling of materials. Among the articles that focus exclusively on DFT, the contribution by Weinert et al [1] summarizes some of the advances made to better describe magnetic properties and entropic effects. The article by Kyrychenko and Ullrich [2] discusses recent developments in time dependent DFT to describe transport properties and absorption spectra of solids. Their model allows for a comprehensive treatment of electron--electron interaction, screening and correlation effects which are necessary for proper description of properties of the excited state. The contribution by Langreth and co-workers [3] summarizes their recent efforts at incorporating non-local van der Waals forces into DFT so as to make it suitable for accurate description of the physical and chemical properties of the ground state of sparse/soft matter. Their applications to molecules, layered systems, and hybrid structures are promising and mark the beginning of work in another important set of materials for which insights could be obtained from DFT. The paper here by Tang et al [4] focuses on the usage of grid-based methods for calculations of local charge densities. The virtue of the method is that charge densities are not confined to a lattice. Finally, as applications of DFT, the article by Groß [5] is representative of the usage of DFT in tailoring the electronic structures of surface alloys and other nanostructures, while the contribution by Bohnen et al [6] is a further example of the applicability of density functional perturbation theory in accurate descriptions of the lattice dynamics of functional nanomaterials such as carbon nanotubes. For the modeling of amorphous materials, Biswas and co-workers [7] present a review of methods such as the reverse Monte Carlo (RMC) and 'experimentally constrained molecular relaxation' models which impose constraints to ensure that the final model meets a priori requirements on structure, topology, chemical ordering, etc. In a similar vein, the papers by Rossi and Ferrando [8] and Rogan et al [9] , summarize advances in the determination of the equilibrium structure of nanoparticles and nanoalloys through global optimization strategies such as genetic and Basin-hopping approaches, diversity-driven unbiased searches and the conformational space annealing method. Structure determination itself relies on the knowledge of the system energy landscape, the saddle points and the transition states. In this issue the work of Pedersen et al [10] is an example of how a saddle point search method can be used to study dislocation mobility in a covalent material, which can be a very challenging task for a complex material. Trushin et al [11] present a related procedure for understanding atomistic mechanisms and energetics of strain relaxation in heteroepitaxial systems and transitions from the coherent epitaxial (defect free) state to the state containing an isolated defect (localized or extended). To facilitate the simulation of rare events, Fichthorn et al [12] elaborate on the adoption of the bond-boost method for accelerated molecular dynamics (MD) simulation and its application to kinetic phenomena relevant to thin-film growth. They also present the state-bridging bond-boost method to address the dynamics of systems residing in a group of states connected by small energy barriers and separated from the rest of phase space by large barriers. In the genre of accelerated schemes which also seek to address the issue of completeness in the determination of reaction rates we include here the 'off-lattice' self-learning kinetic Monto Carlo method presented by Kara and co-workers [13] and its application to atomic cluster diffusion on fcc(111) surfaces. Further ramifications of the self-learning kinetic Monte Carlo method are presented in the paper by Nandipati et al [14] , who apply the recently developed optimistic synchronous relaxation (OSR) algorithm as well as the semi-rigorous synchronous sublattice (SL) algorithm for parallel computation of the coarsening of islands on fcc(111) surfaces. The above and related methods also lend themselves to the examination of morphological evolution of functional materials. The contribution by Hamouda et al [15] summarizes the effect of impurities on epitaxial growth and on shape evolution of systems. Similarly, using an atomistic lattice-gas model Li et al [16] describes the key features of the complex mounded morphologies which develop during deposition of Ag films on Ag(111) surfaces. Also, using a combination of a Monte Carlo method and continuum elasticity theory, Uhlík et al [17] present an efficient computational method for finding the equilibrium concentration profiles which minimize the free energy of intermixed heteroepitaxial islands of assigned shape and composition. The contribution by Leuenberger and Sham [18] establishes how the process of Umklapp-assisted recombination can be used to optically detect the spin state of the nucleus of a phosphorus donor. They present two methods to improve the optical detection of the spin state of a single nucleus in Si:P. The work of Ni et al [19] is an example of the application of the molecular dynamics technique to determine the thermal conductances across covalently bonded interfaces between oriented single crystal diamond and completely aligned polyethylene chains. Finally, the paper by Yildirim et al [20] illustrates the application of standard lattice dynamics and molecular statics methods to identify the novel characteristics of nanoalloys, as a function of composition and geometry. References [1] Weinert M, Schneider G, Podloucky R and Redinger J 2009 FLAPW: applications and implementations J. Phys.: Condens. Matter 21 084201 [2] Kyrychenko F V and Ullrich C A 2009 Transport and optical conductivity in dilute magnetic semiconductors J. Phys.: Condens. Matter 21 084202 [3] Langreth D C, Lundqvist B I, Chakarova-Käck S, Cooper V R, Dion M, Hyldgaard P, Kelkkanen A, Kleis J, Kong L, Li S, Moses P G, Murray E, Puzder A, Rydberg H, Schröder E and Thonhauser T 2009 A density functional for sparse matter J. Phys.: Condens. Matter 21 084203 [4] Tang W, Sanville E and Henkelman G 2009 A grid-based Bader analysis algorithm without lattice bias J. Phys.: Condens. Matter 21 084204 [5] Groß A 2009 Tailoring the reactivity of bimetallic overlayer and surface alloy systems J. Phys.: Condens. Matter 21 084205 [6] Bohnen K-P, Heid R and Chan C T 2009 Lattice instability and superconductivity in electron doped (3, 3) carbon nanotubes J. Phys.: Condens. Matter 21 084206 [7] Biswas P, Tafen D N, Inam F, Cai B and Drabold D A 2009 Materials modeling by design: applications to amorphous solids J. Phys.: Condens. Matter 21 084207 [8] Rossi G and Ferrando R 2009 Searching for low-energy structures of nanoparticles: a comparison of different methods and algorithms J. Phys.: Condens. Matter 21 084208 [9] Rogan J, Ramírez M, Muñoz V, Alejandro Valdivia J, García G, Ramírez R and Kiwi M 2009 Diversity driven unbiased search of minimum energy cluster configurations J. Phys.: Condens. Matter 21 084209 [10] Pedersen A, Pizzagalli L and Jónsson H 2009 Finding mechanism of transitions in complex systems: formation and migration of dislocation kinks in a silicon crystal J. Phys.: Condens. Matter 21 084210 [11] Trushin O, Jalkanen J, Granato E, Ying S C and Ala-Nissila T 2009 Atomistic studies of strain relaxation in heteroepitaxial systems J. Phys.: Condens. Matter 21 084211 [12] Fichthorn K A, Miron R A, Wang Y and Tiwary Y 2009 Accelerated molecular dynamics of thin-film growth with the bond-boost method J. Phys.: Condens. Matter 21 084212 [13] Kara A, Trushin O, Yildirim H and Rahman T S 2009 Off-lattice self-learning kinetic Monte Carlo: application to 2D cluster diffusion on the fcc(111) surface J. Phys.: Condens. Matter 21 084213 [14] Nandipati G, Shim Y, Amar J G, Karim A, Kara A, Rahman T S and Trushin O 2009 Parallel kinetic Monte Carlo simulations of Ag(111) island coarsening using a large database J. Phys.: Condens. Matter 21 084214 [15] Hamouda A, Stasevich T J, Pimpinelli A and Einstein T L 2009 Effects of impurities on surface morphology: some examples J. Phys.: Condens. Matter 21 084215 [16] Li M, Han Y, Thiel P A and Evans J W 2009 Formation of complex wedding-cake morphologies during homoepitaxial film growth of Ag on Ag(111): atomistic, step-dynamics, and continuum modeling J. Phys.: Condens. Matter 21 084216 [17] Uhlík F, Gatti R and Montalenti F 2009 A fast computational method for determining equilibrium concentration profiles in intermixed nanoislands J. Phys.: Condens. Matter 21 084217 [18] Leuenberger M and Sham L J 2009 Theory of Umklapp-assisted recombination of bound excitons in Si:P J. Phys.: Condens. Matter 21 084218 [19] Ni B, Watanabe T and Phillpot S P 2009 Thermal transport in polyethylene and at polyethylene-diamond interfaces investigated using molecular dynamics simulation J. Phys.: Condens. Matter 21 084219 [20] Yildirim H, Kara A and Rahman T S 2009 Structural, vibrational and thermodynamic properties of AgnCu34-n nanoparticles J. Phys.: Condens. Matter 21 084220

Reply to "Comment on `Route from discreteness to the continuum for the Tsallis q -entropy' "

NASA Astrophysics Data System (ADS)

Oikonomou, Thomas; Bagci, G. Baris

2018-06-01

It has been known for some time that the usual q -entropy Sq(n ) cannot be shown to converge to the continuous case. In Phys. Rev. E 97, 012104 (2018), 10.1103/PhysRevE.97.012104, we have shown that the discrete q -entropy S˜q(n ) converges to the continuous case when the total number of states are properly taken into account in terms of a convergence factor. Ou and Abe [previous Comment, Phys. Rev. E 97, 066101 (2018), 10.1103/PhysRevE.97.066101] noted that this form of the discrete q -entropy does not conform to the Shannon-Khinchin expandability axiom. As a reply, we note that the fulfillment or not of the expandability property by the discrete q -entropy strongly depends on the origin of the convergence factor, presenting an example in which S˜q(n ) is expandable.

Position, spin, and orbital angular momentum of a relativistic electron

NASA Astrophysics Data System (ADS)

Bliokh, Konstantin Y.; Dennis, Mark R.; Nori, Franco

2017-08-01

Motivated by recent interest in relativistic electron vortex states, we revisit the spin and orbital angular momentum properties of Dirac electrons. These are uniquely determined by the choice of the position operator for a relativistic electron. We consider two main approaches discussed in the literature: (i) the projection of operators onto the positive-energy subspace, which removes the Zitterbewegung effects and correctly describes spin-orbit interaction effects, and (ii) the use of Newton-Wigner-Foldy-Wouthuysen operators based on the inverse Foldy-Wouthuysen transformation. We argue that the first approach [previously described in application to Dirac vortex beams in K. Y. Bliokh et al., Phys. Rev. Lett. 107, 174802 (2011), 10.1103/PhysRevLett.107.174802] has a more natural physical interpretation, including spin-orbit interactions and a nonsingular zero-mass limit, than the second one [S. M. Barnett, Phys. Rev. Lett. 118, 114802 (2017), 10.1103/PhysRevLett.118.114802].

Interfacial states and far-from-equilibrium transitions in the epitaxial growth and erosion on (110) crystal surfaces

NASA Astrophysics Data System (ADS)

Levandovsky, Artem; Golubović, Leonardo; Moldovan, Dorel

2006-12-01

We discuss the far-from-equilibrium interfacial phenomena occurring in the multilayer homoepitaxial growth and erosion on (110) crystal surfaces. Experimentally, these rectangular symmetry surfaces exhibit a multitude of interesting nonequilibrium interfacial structures, such as the rippled one-dimensional periodic states that are not present in the homoepitaxial growth and erosion on the high symmetry (100) and (111) crystal surfaces. Within a unified phenomenological model, we reveal and elucidate this multitude of states on (110) surfaces as well as the transitions between them. By analytic arguments and numerical simulations, we address experimentally observed transitions between two types of rippled states on (110) surfaces. We discuss several intermediary interface states intervening, via consecutive transitions, between the two rippled states. One of them is the rhomboidal pyramid state, theoretically predicted by Golubovic [Phys. Rev. Lett. 89, 266104 (2002)] and subsequently seen, by de Mongeot and co-workers, in the epitaxial erosion of Cu(110) and Rh(110) surfaces [A. Molle , Phys. Rev. Lett. 93, 256103 (2004), and A. Molle , Phys. Rev. B 73, 155418 (2006)]. In addition, we find a number of interesting intermediary states having structural properties somewhere between those of rippled and pyramidal states. Prominent among them are the rectangular rippled states of long rooflike objects (huts) recently seen on Ag(110) surface. We also predict the existence of a striking interfacial structure that carries nonzero, persistent surface currents. Periodic surface currents vortex lattice formed in this so-called buckled rippled interface state is a far-from-equilibrium relative of the self-organized convective flow patterns in hydrodynamic systems. We discuss the coarsening growth of the multitude of the interfacial states on (110) crystal surfaces.

Analytical results for a conditional phase shift between single-photon pulses in a nonlocal nonlinear medium

NASA Astrophysics Data System (ADS)

Viswanathan, Balakrishnan; Gea-Banacloche, Julio

2018-03-01

It has been suggested that second-order nonlinearities could be used for quantum logic at the single-photon level. Specifically, successive two-photon processes in principle could accomplish the phase shift (conditioned on the presence of two photons in the low-frequency modes) |011 〉→i |100 〉→-|011 〉 . We have analyzed a recent scheme proposed by Xia et al. [Phys. Rev. Lett. 116, 023601 (2016)], 10.1103/PhysRevLett.116.023601 to induce such a conditional phase shift between two single-photon pulses propagating at different speeds through a nonlinear medium with a nonlocal response. We present here an analytical solution for the most general case, i.e., for an arbitrary response function, initial state, and pulse velocity, which supports their numerical observation that a π phase shift with unit fidelity is possible, in principle, in an appropriate limit. We also discuss why this is possible in this system, despite the theoretical objections to the possibility of conditional phase shifts on single photons that were raised some time ago by Shapiro [Phys. Rev. A 73, 062305 (2006)], 10.1103/PhysRevA.73.062305 and by Gea-Banacloche [Phys. Rev. A 81, 043823 (2010)], 10.1103/PhysRevA.81.043823 one of us.

Afterglow luminescence in sol-gel/Pechini grown oxide materials: persistence or phosphorescence process? (Conference Presentation)

NASA Astrophysics Data System (ADS)

Sontakke, Atul; Ferrier, Alban; Viana, Bruno

2017-03-01

Persistent luminescence and phosphorescence, both yields afterglow luminescence, but are completely different mechanisms. Persistent luminescence involves a slow thermal release of trapped electrons stored in defect states, whereas the phosphorescence is caused due to triplet to singlet transition [1,2]. Many persistent luminescence phosphors are based on oxide inorganic hosts, and exhibit long afterglow luminescence after ceasing the excitation. We observed intense and long afterglow luminescence in sol-gel/pechini grown inorganic oxides, and as a first interpretation thought to be due to persistence mechanism. However, some of these materials do not exhibit defect trap centers, and a detailed investigation suggested it is due to phosphorescence, but not the persistence. Phosphorescence is not common in inorganic solids, and that too at room temperature, and therefore usually misinterpreted as persistence luminescence [3]. Here we present a detailed methodology to distinguish phosphorescence from persistence luminescence in inorganic solids, and the process to harvest highly efficient long phosphorescence afterglow at room temperature. 1. Jian Xu, Setsuhisa Tanabe, Atul D. Sontakke, Jumpei Ueda, Appl. Phys. Lett. 107, 081903 (2015) 2. Sebastian Reineke, Marc A. Baldo, Scientific Reports, 4, 3797 (2014) 3. Pengchong Xue, Panpan Wang, Peng Chen, Boqi Yao, Peng Gong, Jiabao Sun, Zhenqi Zhang, Ran Lu, Chem. Sci. (2016) DOI: 10.1039/C5SC03739E

Isochoric heating of solid gold targets with the PW-laser-driven ion beams (Conference Presentation)

NASA Astrophysics Data System (ADS)

Steinke, Sven; Ji, Qing; Bulanov, Stepan S.; Barnard, John; Vincenti, Henri; Schenkel, Thomas; Esarey, Eric H.; Leemans, Wim P.

2017-05-01

We present first results on ion acceleration with the BELLA PW laser as well as end-to-end simulation for isochoric heating of solid gold targets using PW-laser generated ion beams: (i) 2D Particle-In-Cell (PIC) simulations are applied to study the ion source characteristics of the PW laser-target interaction at the long focal length (f/65) beamline at laser intensities of ˜[5×10]^19 Wcm-2 at spot size of 0=53 μm on a CH target. (ii) In order to transport the ion beams to an EMP-free environment, an active plasma lens will be used. This was modeled [1] by calculating the Twiss parameters of the ion beam from the appropriate transport matrixes taking the source parameters obtained from the PIC simulation. (iii) Hydrodynamic simulations indicate that these ion beams can isochorically heat a 1 mm3 gold target to the Warm Dense Matter state. Reference: J. van Tilborg et al, Phys. Rev. Lett. 115, 184802 (2015). This work was supported by Laboratory Directed Research and Development (LDRD) funding from Lawrence Berkeley National Laboratory, provided by the Director, Office of Science, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

Structure of edge-state inner products in the fractional quantum Hall effect

NASA Astrophysics Data System (ADS)

Fern, R.; Bondesan, R.; Simon, S. H.

2018-04-01

We analyze the inner products of edge state wave functions in the fractional quantum Hall effect, specifically for the Laughlin and Moore-Read states. We use an effective description for these inner products given by a large-N expansion ansatz proposed in a recent work by J. Dubail, N. Read, and E. Rezayi [Phys. Rev. B 86, 245310 (2012), 10.1103/PhysRevB.86.245310]. As noted by these authors, the terms in this ansatz can be constrained using symmetry, a procedure we perform to high orders. We then check this conjecture by calculating the overlaps exactly for small system sizes and compare the numerics with our high-order expansion. We find the effective description to be very accurate.

Classical simulation of infinite-size quantum lattice systems in two spatial dimensions.

PubMed

Jordan, J; Orús, R; Vidal, G; Verstraete, F; Cirac, J I

2008-12-19

We present an algorithm to simulate two-dimensional quantum lattice systems in the thermodynamic limit. Our approach builds on the projected entangled-pair state algorithm for finite lattice systems [F. Verstraete and J. I. Cirac, arxiv:cond-mat/0407066] and the infinite time-evolving block decimation algorithm for infinite one-dimensional lattice systems [G. Vidal, Phys. Rev. Lett. 98, 070201 (2007)10.1103/PhysRevLett.98.070201]. The present algorithm allows for the computation of the ground state and the simulation of time evolution in infinite two-dimensional systems that are invariant under translations. We demonstrate its performance by obtaining the ground state of the quantum Ising model and analyzing its second order quantum phase transition.

Differential cross sections for electron-impact excitation of the electronic states of pyrimidine

NASA Astrophysics Data System (ADS)

Brunger, Michael; Jones, Darryl; Bellm, Susan

2012-06-01

Pyrimidine (C4N2H4) is an important molecule, as it forms the basis of larger biomolecules, such as the DNA bases thymine, cytosine and uracil. There is a pressing demand for low-energy electron scattering data from such biological analogs in order to model radiation induced damage [1]. We therefore present the first measurements for absolute differential cross section data for low-energy electron-impact excitation of the electronic states of pyrimidine. The present measurements were performed using a crossed-beam apparatus [2] for incident electron energies ranging between 15 to 50eV while covering a 10 to 90^o angular range. Here the absolute scale has been determined through a normalisation to the recently measured elastic scattering differential cross section data for pyrimidine [3]. [1] F. Ferreira da Silva, D. Almeida, G. Martins, A. R. Milosavljevic, B. P. Marinkovic, S. V. Hoffmann, N. J. Mason, Y. Nunes, G. Garcia and P. Limao-Vieira, Phys Chem Chem Phys 12, 6717 (2010). [2] M. J. Brunger and P. J. O. Teubner, Phys Rev A 41, 1413 (1990). [3] P. Palihawadana, J. Sullivan, M. Brunger, C. Winstead, V. McKoy, G. Garcia, F. Blanco and S. Buckman, Phys Rev A 84, 062702 (2011).

Fermi edge singularity in a tunnel junction

NASA Astrophysics Data System (ADS)

Zhang, Jin; Sherkunov, Yury; D'Ambrumenil, Nicholas; Muzykantskii, Boris

2010-03-01

We present results on the non-equilibrium Fermi edge singularity (FES) problem in tunnel junctions. The FES, which is present in a Fermi gas subject to any sudden change of potential, manifests itself in the final state many body interaction between the electrons in the leads [1]. We establish a connection between the FES problem in a tunnel junction and the Full Counting Statistics (FCS) for the device [2]. We find that the exact profile of the changing potential (or the profile for the barrier opening and closing in the tunnel junction case) strongly affects the overlap between the initial and final state of the Fermi gas. We factorize the contribution to the FES into two approximately independent terms: one is connected with the short time opening process while the other is concerned with the long time asymptotic effect, namely the Anderson orthogonality catastrophe. We consider applications to a localized level coupled through a tunnel barrier to a 1D lead driven out of equilibrium [3]. References: [1] G. Mahan, Phys. Rev. 163, 1612 (1967); P. Nozieres and C. T. De Dominicis, Phys. Rev. 178, 1079 (1969); P. Anderson, Phys. Rev. Lett. 18, 1049 (1967) [2] J. Zhang, Y. Sherkunov, N. d'Ambrumenil, and B. Muzykantskii, ArXiv:0909.3427 [3] D. Abanin and L. Levitov, Phys. Rev. Lett. 94, 186803 (2005)

Lifshitz transition with interactions in high magnetic fields: Application to CeIn3

NASA Astrophysics Data System (ADS)

Schlottmann, Pedro

2012-02-01

The N'eel ordered state of CeIn3 is suppressed by a magnetic field of 61 T at ambient pressure. There is a second transition at ˜45 T, which has been associated with a Lifshitz transition [1,2]. Skin depth measurements [2] indicate that the transition is discontinuous as T ->0. Motivated by this transition we study the effects of Landau quantization and interaction among carriers on a Lifshitz transition. The Landau quantization leads to quasi-one-dimensional behavior for the direction parallel to the field. Repulsive Coulomb interactions give rise to a gas of strongly coupled carriers [3]. The density correlation function is calculated for a special long-ranged potential [4]. It is concluded that in CeIn3 a pocket is being emptied as a function of field in a discontinuous fashion in the ground state. This discontinuity is gradually smeared by the temperature [4] in agreement with the skin depth experiments [2]. 0.05in [1] S.E. Sebastian et al, PNAS 106, 7741 (2009). [2] K.M. Purcell et al, Phys. Rev. B 79, 214428 (2009). [3] P. Schlottmann and R. Gerhardts, Z. Phys. B 34, 363 (1979). [4] P. Schlottmann, Phys. Rev. B 83, 115133 (2011); J. Appl. Phys., in print.

Solid-liquid surface tensions of critical nuclei and nucleation barriers from a phase-field-crystal study of a model binary alloy using finite system sizes.

PubMed

Choudhary, Muhammad Ajmal; Kundin, Julia; Emmerich, Heike; Oettel, Martin

2014-08-01

Phase-field-crystal (PFC) modeling has emerged as a computationally efficient tool to address crystal growth phenomena on atomistic length and diffusive time scales. We use a two-dimensional phase-field-crystal model for a binary system based on Elder et al. [Phys. Rev. B 75, 064107 (2007)] to study critical nuclei and their liquid-solid phase boundaries, in particular the nucleus size dependence of the liquid-solid interface tension as well as of the nucleation barrier. Critical nuclei are stabilized in finite systems of various sizes, however, the extracted interface tension as function of the nucleus radius r is independent of system size. We suggest a phenomenological expression to describe the dependence of the extracted interface tension on the nucleus radius r for the liquid-solid system. Moreover, the numerical PFC results show that this dependency can not be fully described by the nonclassical Tolman formula.

Fundamental measure theory for the inhomogeneous hard-sphere system based on Santos' consistent free energy.

PubMed

Hansen-Goos, Hendrik; Mortazavifar, Mostafa; Oettel, Martin; Roth, Roland

2015-05-01

Based on Santos' general solution for the scaled-particle differential equation [Phys. Rev. E 86, 040102(R) (2012)], we construct a free-energy functional for the hard-sphere system. The functional is obtained by a suitable generalization and extension of the set of scaled-particle variables using the weighted densities from Rosenfeld's fundamental measure theory for the hard-sphere mixture [Phys. Rev. Lett. 63, 980 (1989)]. While our general result applies to the hard-sphere mixture, we specify remaining degrees of freedom by requiring the functional to comply with known properties of the pure hard-sphere system. Both for mixtures and pure systems, the functional can be systematically extended following the lines of our derivation. We test the resulting functionals regarding their behavior upon dimensional reduction of the fluid as well as their ability to accurately describe the hard-sphere crystal and the liquid-solid transition.

First-Principles Estimation of Electronic Temperature from X-Ray Thomson Scattering Spectrum of Isochorically Heated Warm Dense Matter

NASA Astrophysics Data System (ADS)

Mo, Chongjie; Fu, Zhenguo; Kang, Wei; Zhang, Ping; He, X. T.

2018-05-01

Through the perturbation formula of time-dependent density functional theory broadly employed in the calculation of solids, we provide a first-principles calculation of x-ray Thomson scattering spectrum of isochorically heated aluminum foil, as considered in the experiments of Sperling et al. [Phys. Rev. Lett. 115, 115001 (2015), 10.1103/PhysRevLett.115.115001], where ions were constrained near their lattice positions. From the calculated spectra, we find that the electronic temperature cannot exceed 2 eV, much smaller than the previous estimation of 6 eV via the detailed balance relation. Our results may well be an indication of unique electronic properties of warm dense matter, which can be further illustrated by future experiments. The lower electronic temperature predicted partially relieves the concern on the heating of x-ray free electron laser to the sample when used in structure measurement.

Determination of structure tilting in magnetized plasmas—Time delay estimation in two dimensions

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

Guszejnov, Dávid; Bencze, Attila; Zoletnik, Sándor

2013-06-15

Time delay estimation (TDE) is a well-known technique to investigate poloidal flows in fusion plasmas. The present work is an extension of the earlier works of Bencze and Zoletnik [Phys. Plasmas 12, 052323 (2005)] and Tal et al.[Phys. Plasmas 18, 122304 (2011)]. From the prospective of the comparison of theory and experiment, it seems to be important to estimate the statistical properties of the TDE based on solid mathematical groundings. This paper provides analytic derivation of the variance of the TDE using a two-dimensional model for coherent turbulent structures in the plasma edge and also gives an explicit method formore » determination of the tilt angle of structures. As a demonstration, this method is then applied to the results of a quasi-2D Beam Emission Spectroscopy measurement performed at the TEXTOR tokamak.« less

Communication: Unraveling the {sup 4}He droplet-mediated soft-landing from ab initio-assisted and time-resolved density functional simulations: Au@{sup 4}He{sub 300}/TiO{sub 2}(110)

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

Lara-Castells, María Pilar de, E-mail: Pilar.deLara.Castells@csic.es; Aguirre, Néstor F.; Stoll, Hermann

2015-04-07

An ab-initio-based methodological scheme for He-surface interactions and zero-temperature time-dependent density functional theory for superfluid {sup 4}He droplets motion are combined to follow the short-time collision dynamics of the Au@{sup 4}He{sub 300} system with the TiO{sub 2}(110) surface. This composite approach demonstrates the {sup 4}He droplet-assisted sticking of the metal species to the surface at low landing energy (below 0.15 eV/atom), thus providing the first theoretical evidence of the experimentally observed {sup 4}He droplet-mediated soft-landing deposition of metal nanoparticles on solid surfaces [Mozhayskiy et al., J. Chem. Phys. 127, 094701 (2007) and Loginov et al., J. Phys. Chem. A 115,more » 7199 (2011)].« less

Quantum Spin Ice under a [111] Magnetic Field: From Pyrochlore to Kagome

NASA Astrophysics Data System (ADS)

Bojesen, Troels Arnfred; Onoda, Shigeki

2017-12-01

Quantum spin ice, modeled for magnetic rare-earth pyrochlores, has attracted great interest for hosting a U(1) quantum spin liquid, which involves spin-ice monopoles as gapped deconfined spinons, as well as gapless excitations analogous to photons. However, the global phase diagram under a [111] magnetic field remains open. Here we uncover by means of unbiased quantum Monte Carlo simulations that a supersolid of monopoles, showing both a superfluidity and a partial ionization, intervenes the kagome spin ice and a fully ionized monopole insulator, in contrast to classical spin ice where a direct discontinuous phase transition takes place. We also show that on cooling, kagome spin ice evolves towards a valence-bond solid similar to what appears in the associated kagome lattice model [S. V. Isakov et al., Phys. Rev. Lett. 97, 147202 (2006), 10.1103/PhysRevLett.97.147202]. Possible relevance to experiments is discussed.

Electron scattering from excited states of hydrogen: Implications for the ionization threshold law

NASA Astrophysics Data System (ADS)

Temkin, A.; Shertzer, J.

2013-05-01

The elastic scattering wave function for electrons scattered from the Nth excited state of hydrogen is the final state of the matrix element for excitation of that state. This paper deals with the solution of that problem primarily in the context of the Temkin-Poet (TP) model [A. Temkin, Phys. Rev.PHRVAO0031-899X10.1103/PhysRev.126.130 126, 130 (1962); R. Poet, J. Phys. BJPAPEH0022-370010.1088/0022-3700/11/17/019 11, 3081 (1978)], wherein only the radial parts of the interaction are included. The relevant potential for the outer electron is dominated by the Hartree potential, VNH(r). In the first part of the paper, VNH(r) is approximated by a potential WN(r), for which the scattering equation can be analytically solved. The results allow formal analytical continuation of N into the continuum, so that the ionization threshold law can be deduced. Because the analytic continuation involves going from N to an imaginary function of the momentum of the inner electron, the threshold law turns out to be an exponentially damped function of the available energy E, in qualitative accord with the result of Macek and Ihra [J. H. Macek and W. Ihra, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.55.2024 55, 2024 (1997)] for the TP model. Thereafter, the scattering equation for the Hartree potential VNH(r) is solved numerically. The numerical aspects of these calculations have proven to be challenging and required several developments for the difficulties to be overcome. The results for VNH(r) show only a simple energy-dependent shift from the approximate potential WN(r), which therefore does not change the analytic continuation and the form of the threshold law. It is concluded that the relevant optical potential must be included in order to compare directly with the analytic result of Macek and Ihra. The paper concludes with discussions of (a) a quantum mechanical interpretation of the result, and (b) the outlook of this approach for the complete problem.

A Framework for Bounding Nonlocality of State Discrimination

NASA Astrophysics Data System (ADS)

Childs, Andrew M.; Leung, Debbie; Mančinska, Laura; Ozols, Maris

2013-11-01

We consider the class of protocols that can be implemented by local quantum operations and classical communication (LOCC) between two parties. In particular, we focus on the task of discriminating a known set of quantum states by LOCC. Building on the work in the paper Quantum nonlocality without entanglement (Bennett et al., Phys Rev A 59:1070-1091, 1999), we provide a framework for bounding the amount of nonlocality in a given set of bipartite quantum states in terms of a lower bound on the probability of error in any LOCC discrimination protocol. We apply our framework to an orthonormal product basis known as the domino states and obtain an alternative and simplified proof that quantifies its nonlocality. We generalize this result for similar bases in larger dimensions, as well as the “rotated” domino states, resolving a long-standing open question (Bennett et al., Phys Rev A 59:1070-1091, 1999).

Generalized concurrence measure for faithful quantification of multiparticle pure state entanglement using Lagrange's identity and wedge product

NASA Astrophysics Data System (ADS)

Bhaskara, Vineeth S.; Panigrahi, Prasanta K.

2017-05-01

Concurrence, introduced by Hill and Wootters (Phys Rev Lett 78:5022, 1997), provides an important measure of entanglement for a general pair of qubits that is faithful: strictly positive for entangled states and vanishing for all separable states. Such a measure captures the entire content of entanglement, providing necessary and sufficient conditions for separability. We present an extension of concurrence to multiparticle pure states in arbitrary dimensions by a new framework using the Lagrange's identity and wedge product representation of separability conditions, which coincides with the "I-concurrence" of Rungta et al. (Phys Rev A 64:042315, 2001) who proposed by extending Wootters's spin-flip operator to a so-called universal inverter superoperator. Our framework exposes an inherent geometry of entanglement and may be useful for the further extensions to mixed and continuous variable states.

Bonding of Alkali-Alkaline Earth Molecules in the Lowest Σ^+ States of Doublet and Quartet Multiplicity

NASA Astrophysics Data System (ADS)

Pototschnig, Johann V.; Hauser, Andreas W.; Ernst, Wolfgang E.

2016-06-01

n the present study the ground state as well as the lowest ^4Σ^+ state were determined for 16 AK-AKE molecules. Multireference configuration interaction calculations were carried out in order to understand the bonding of diatomic alkali-alkaline earth (AK-AKE) molecules. The correlations between molecular properties (disociation energy, bond distances, electric dipole moment) and atomic properties (electronegativity, polarizability) will be discussed. A correlation between the dissociation energy and the dipole moment of the lowest ^4Σ^+ state was observed, while the dipole moment of the lowest ^2Σ^+ state does not show such a simple dependency. In this case an empirical relation could be established. The class of AK-AKE molecules was selected for this investigation due to their possible applications in ultracold molecular physics. J. V. Pototschnig, A. W. Hauser and W. E. Ernst, Phys. Chem. Chem. Phys., 2016,18, 5964-5973

Modeling Bi-induced changes in the electronic structure of GaAs1-xBix alloys

NASA Astrophysics Data System (ADS)

Virkkala, Ville; Havu, Ville; Tuomisto, Filip; Puska, Martti J.

2013-12-01

We suggested recently [V. Virkkala , Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.88.035204 88, 035204 (2013)] that the band-gap narrowing in dilute GaAs1-xNx alloys can be explained to result from the broadening of the localized N states due to the N-N interaction along the zigzag chains in the <110> directions. In that study our tight-binding modeling based on first-principles density-functional calculations took into account the random distribution of N atoms in a natural way. In this work we extend our modeling to GaAs1-xBix alloys. Our results indicate that Bi states mix with host material states. However, the states near the valence-band edge agglomerate along the zigzag chains originating from individual Bi atoms. This leads to Bi-Bi interactions in a random alloy broadening these states in energy and causing the band-gap narrowing.

PREFACE: Celebrating 20 years of Journal of Physics: Condensed Matter—in honour of Richard Palmer Celebrating 20 years of Journal of Physics: Condensed Matter—in honour of Richard Palmer

NASA Astrophysics Data System (ADS)

Ferry, David; Dowben, Peter; Inglesfield, John

2009-11-01

This year marks the 20th anniversary of the launch of Journal of Physics: Condensed Matter in 1989. The journal was formed from the merger of Journal of Physics C: Solid State Physics and Journal of Physics F: Metal Physics which had separated in 1971. In the 20 years since its launch, Journal of Physics: Condensed Matter has more than doubled in size, while raising standards. Indeed, Journal of Physics: Condensed Matter has become one of the leading scientific journals for our field. This could not have occurred without great leadership at the top. No one has been more responsible for this growth in both size and quality than our Senior Publisher, Richard Palmer. Richard first started work at IOP in March 1971 as an Editorial Assistant with J. Phys. B After a few months, he transferred to J. Phys.C The following year, the Assistant Editor of J. Phys. C, Malcolm Haines, left suddenly in order to work on his family vineyard in France, and Richard stepped into the breach. In those days, external editors had a much more hands-on role in IOP Publishing and he had to travel to Harwell to be interviewed by Alan Lidiard, the Honorary Editor of J. Phys. C, before being given the job of Assistant Editor permanently. Since J. Phys. C and J. Phys. F re-merged to form Journal of Physics: Condensed Matter, Richard gradually shed his other journal responsibilities, except for Reports on Progress in Physics, to build up Journal of Physics: Condensed Matter. He has worked closely with four Editors-in-Chief of J. Phys. C and five of Journal of Physics: Condensed Matter. When Richard announced his retirement this past winter, we met it with a great deal of both happiness and sadness. Of course, we are happy that he is going to be allowed to enjoy his retirement, but we remain very sad to lose such a valuable member of our team, especially the one who had provided the heart and soul of the journal over its 20 years. We will be able to rely upon the team which Richard ably trained as we go into the future. The Executive Board decided to do this special issue, both to commemorate the 20th year of Journal of Physics: Condensed Matter and to honour Richard for his long years of service to IOP Publishing and Journal of Physics: Condensed Matter. This issue is dedicated to Richard for his many years of work and friendship with the journal board that has seen a great many changes over the years. This issue covers a very wide range of topics, since we approached all current and past members of the various boards of Journal of Physics: Condensed Matter in seeking papers for this special issue. The response has been very positive and this will be one of our larger special issues. The desire to honour Richard is widespread among these various boards, so that we have been almost overwhelmed with submissions, although many who wished to contribute could not because of other obligations. We hope that you, the readership, will enjoy these articles.

Quantum Hall states and conformal field theory on a singular surface

NASA Astrophysics Data System (ADS)

Can, T.; Wiegmann, P.

2017-12-01

In Can et al (2016 Phys. Rev. Lett. 117), quantum Hall states on singular surfaces were shown to possess an emergent conformal symmetry. In this paper, we develop this idea further and flesh out details on the emergent conformal symmetry in holomorphic adiabatic states, which we define in the paper. We highlight the connection between the universal features of geometric transport of quantum Hall states and holomorphic dimension of primary fields in conformal field theory. In parallel we compute the universal finite-size corrections to the free energy of a critical system on a hyperbolic sphere with conical and cusp singularities, thus extending the result of Cardy and Peschel for critical systems on a flat cone (Cardy and Peschel 1988 Nucl. Phys. B 300 377-92), and the known results for critical systems on polyhedra and flat branched Riemann surfaces.

Theoretical study on the cooperative exciton dissociation process based on dimensional and hot charge-transfer state effects in an organic photocell

NASA Astrophysics Data System (ADS)

Shimazaki, Tomomi; Nakajima, Takahito

2016-06-01

This paper discusses the exciton dissociation process at the donor-acceptor interface in organic photocells. In our previous study, we introduced a local temperature to handle the hot charge-transfer (CT) state and calculated the exciton dissociation probability based on the 1D organic semiconductor model [T. Shimazaki and T. Nakajima, Phys. Chem. Chem. Phys. 17, 12538 (2015)]. Although the hot CT state plays an essential role in exciton dissociations, the probabilities calculated are not high enough to efficiently separate bound electron-hole pairs. This paper focuses on the dimensional (entropy) effect together with the hot CT state effect and shows that cooperative behavior between both effects can improve the exciton dissociation process. In addition, we discuss cooperative effects with site-disorders and external-electric-fields.

Siegert-state expansion for nonstationary systems. IV. Three-dimensional case

NASA Astrophysics Data System (ADS)

Tolstikhin, Oleg I.

2008-03-01

The Siegert-state expansion approach [O. I. Tolstikhin, Phys. Rev. A 73, 062705 (2006)] is extended to the three-dimensional case. Coupled equations defining the time evolution of coefficients in the expansion of the solution to the time-dependent Schrödinger equation in terms of partial-wave Siegert states are derived, and physical observables (probabilities of transitions to discrete states and the momentum distribution of ejected particles) are expressed in terms of these coefficients. The approach is implemented in terms of Siegert pseudostates and illustrated by calculations of the photodetachment of H- by strong high-frequency laser pulses. The present calculations demonstrate that the interference effect in the laser-atom interaction dynamics found recently in the one-dimensional case [K. Toyota , Phys. Rev. A 76, 043418 (2007)] reveals itself in the three-dimensional case as well.

The Strength of Chemical Bonds in Solids and Liquids (Preprint)

DTIC Science & Technology

2011-07-01

1979). 37 Triftshauser, W. & McGervey, J. D. Monovacancy formation energy in copper, silver, and gold by positron annihilation . Appl. Phys. 6, 177...framework for the application and interpretation of these values 9,10. To our knowledge, εij values have not been quantified using a thermodynamics approach...typically within experimental error. As a second application of εAA, we consider the enthalpy of fusion, ∆Hm, which accompanies the transformation from

Slip Continuity in Explicit Crystal Plasticity Simulations Using Nonlocal Continuum and Semi-discrete Approaches

DTIC Science & Technology

2013-01-01

Based Micropolar Single Crystal Plasticity: Comparison of Multi - and Single Criterion Theories. J. Mech. Phys. Solids 2011, 59, 398–422. ALE3D ...element boundaries in a multi -step constitutive evaluation (Becker, 2011). The results showed the desired effects of smoothing the deformation field...Implementation The model was implemented in the large-scale parallel, explicit finite element code ALE3D (2012). The crystal plasticity

Structural characterization of the voltage sensor domain and voltage-gated K+- channel proteins vectorially-oriented within a single bilayer membrane at the solid/vapor and solid/liquid interfaces via neutron interferometry

PubMed Central

Gupta, S.; Dura, J.A.; Freites, J.A.; Tobias, D.J.; Blasie, J. K.

2012-01-01

The voltage-sensor domain (VSD) is a modular 4-helix bundle component that confers voltage sensitivity to voltage-gated cation channels in biological membranes. Despite extensive biophysical studies and the recent availability of x-ray crystal structures for a few voltage-gated potassium (Kv-) channels and a voltage-gate sodium (Nav-) channel, a complete understanding of the cooperative mechanism of electromechanical coupling, interconverting the closed-to-open states (i.e. non-conducting to cation conducting) remains undetermined. Moreover, the function of these domains is highly dependent on the physical-chemical properties of the surrounding lipid membrane environment. The basis for this work was provided by a recent structural study of the VSD from a prokaryotic Kv-channel vectorially-oriented within a single phospholipid (POPC; 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine) membrane investigated by x-ray interferometry at the solid/moist He (or solid/vapor) and solid/liquid interfaces thus achieving partial to full hydration, respectively (Gupta et. al. Phys. Rev E. 2011, 84). Here, we utilize neutron interferometry to characterize this system in substantially greater structural detail at the sub-molecular level, due to its inherent advantages arising from solvent contrast variation coupled with the deuteration of selected sub-molecular membrane components, especially important for the membrane at the solid/liquid interface. We demonstrate the unique vectorial orientation of the VSD and the retention of its molecular conformation manifest in the asymmetric profile structure of the protein within the profile structure of this single bilayer membrane system. We definitively characterize the asymmetric phospholipid bilayer solvating the lateral surfaces of the VSD protein within the membrane. The profile structures of both the VSD protein and phospholipid bilayer depend upon the hydration state of the membrane. We also determine the distribution of water and exchangeable hydrogen throughout the profile structure of both the VSD itself and the VSD:POPC membrane. These two experimentally-determined water and exchangeable hydrogen distribution profiles are in good agreement with molecular dynamics simulations of the VSD protein vectorially-oriented within a fully hydrated POPC bilayer membrane, supporting the existence of the VSD’s water pore. This approach was extended to the full-length Kv-channel (KvAP) at solid/liquid interface, providing the separate profile structures of the KvAP protein and the POPC bilayer within the reconstituted KvAP:POPC membrane. PMID:22686684

Cold Rydberg atoms in circular states

NASA Astrophysics Data System (ADS)

Anderson, David; Schwarzkopf, Andrew; Raithel, Georg

2012-06-01

Circular-state Rydberg atoms are interesting in that they exhibit a unique combination of extraordinary properties; long lifetimes (˜n^5), large magnetic moments (l=|m|=n-1) and no first order Stark shift. Circular states have found applications in cavity quantum electrodynamics and precision measurements [1,2], among other studies. In this work we present the production of circular states in an atom trapping apparatus using an adiabatic state-switching method (the crossed-field method [3]). To date, we have observed lifetimes of adiabatically prepared states of several milliseconds. Their relatively large ionization electric fields have been verified by time-of-flight signatures of ion trajectories. We intend to explore the magnetic trapping of circular state Rydberg atoms, as well as their production and interaction properties in ultra-cold and degenerate samples.[4pt] [1] P. Bertet et al., Phys. Rev. Lett., 88, 14 (2002)[0pt] [2] M. Brune et al., Phys. Rev. Lett., 72, 21 (1994)[0pt] [3] D. Delande and J.C. Gay, Europhys. Lett., 5, 303-308 (1988).

Realization of the Nersesyan-Tsvelik model in (NO)[Cu(NO3)3

NASA Astrophysics Data System (ADS)

Volkova, O.; Morozov, I.; Shutov, V.; Lapsheva, E.; Sindzingre, P.; Cépas, O.; Yehia, M.; Kataev, V.; Klingeler, R.; Büchner, B.; Vasiliev, A.

2010-08-01

The topology of the magnetic interactions of the copper spins in the nitrosonium nitratocuprate (NO)[Cu(NO3)3] suggests that it could be a realization of the Nersesyan-Tsvelik model [A. A. Nersesyan and A. M. Tsvelik, Phys. Rev. B 67, 024422 (2003)10.1103/PhysRevB.67.024422], whose ground state was argued to be either a resonating valence-bond state or a valence-bond crystal. The measurement of thermodynamic and magnetic resonance properties reveals a behavior inherent to low-dimensional spin S=(1)/(2) systems and provides indeed no evidence for the formation of long-range magnetic order down to 1.8 K.

Classification of Four-Qubit States by Means of a Stochastic Local Operation and the Classical Communication Invariant

NASA Astrophysics Data System (ADS)

Zha, Xin-Wei; Ma, Gang-Long

2011-02-01

It is a recent observation that entanglement classification for qubits is closely related to stochastic local operations and classical communication (SLOCC) invariants. Verstraete et al.[Phys. Rev. A 65 (2002) 052112] showed that for pure states of four qubits there are nine different degenerate SLOCC entanglement classes. Li et al.[Phys. Rev. A 76 (2007) 052311] showed that there are at feast 28 distinct true SLOCC entanglement classes for four qubits by means of the SLOCC invariant and semi-invariant. We give 16 different entanglement classes for four qubits by means of basic SLOCC invariants.

Strong monogamy conjecture in a four-qubit system

NASA Astrophysics Data System (ADS)

Karmakar, Sumana; Sen, Ajoy; Bhar, Amit; Sarkar, Debasis

2016-01-01

Monogamy is a defining feature of entanglement, having far-reaching applications. Recently, Regula et al. [Phys. Rev. Lett. 113, 110501 (2014), 10.1103/PhysRevLett.113.110501] proposed a stronger version of monogamy relation for concurrence. We have extended the strong monogamy inequality for another entanglement measure, viz., negativity. In particular, we have concentrated on the four-qubit system and provided a detailed study on the status of strong monogamy on pure states. Further, we have analytically provided some classes of states for which negativity and squared negativity satisfy strong monogamy. Numerical evidences have also been shown in proper places. Our analysis also provides cases where strong monogamy is violated.

Two-sided estimates of minimum-error distinguishability of mixed quantum states via generalized Holevo-Curlander bounds

NASA Astrophysics Data System (ADS)

Tyson, Jon

2009-03-01

We prove a concise factor-of-2 estimate for the failure rate of optimally distinguishing an arbitrary ensemble of mixed quantum states, generalizing work of Holevo [Theor. Probab. Appl. 23, 411 (1978)] and Curlander [Ph.D. Thesis, MIT, 1979]. A modification to the minimal principle of Cocha and Poor [Proceedings of the 6th International Conference on Quantum Communication, Measurement, and Computing (Rinton, Princeton, NJ, 2003)] is used to derive a suboptimal measurement which has an error rate within a factor of 2 of the optimal by construction. This measurement is quadratically weighted and has appeared as the first iterate of a sequence of measurements proposed by Ježek et al. [Phys. Rev. A 65, 060301 (2002)]. Unlike the so-called pretty good measurement, it coincides with Holevo's asymptotically optimal measurement in the case of nonequiprobable pure states. A quadratically weighted version of the measurement bound by Barnum and Knill [J. Math. Phys. 43, 2097 (2002)] is proven. Bounds on the distinguishability of syndromes in the sense of Schumacher and Westmoreland [Phys. Rev. A 56, 131 (1997)] appear as a corollary. An appendix relates our bounds to the trace-Jensen inequality.

First-forbidden β decay of ^17N and ^17Ne.

NASA Astrophysics Data System (ADS)

Millener, D. J.

1997-04-01

By measuring positrons in coincidence with 495-keV γ rays de-exciting the 1/2^+ first-excited state of ^17F, Borge et al.(M. J. B. Borge et al.), Phys. Lett. B 317, 25 (1993). have obtained a branch of 1.65(16)% for the first-forbidden β^+ decay of ^17Ne to the 1/2^+ state. This is a very interesting result because the measured branch is roughly a factor of two larger than expected on the basis of nuclear matrix elements which reproduce the corresponding β^- branch of 3.0%(A. R. Poletti and J. G. Pronko, Phys. Rev. C 8), 1285 (1973);D. E. Alburger and D. H. Wilkinson, Phys. Rev. C 13, 835 (1976). in the decay of ^17N. Recently, Ozawa et al.(A. Ozawa et al.), preprint RIKEN-AF-NP-238. have confirmed the magnitude of the β branch in ^17Ne decay, obtaining a value of 1.44(16)% by a method which utilizes a 32 MeV/A radioactive beam of ^17Ne. It is shown that differences, due to charge-dependent effects, in the ^17N and ^17Ne ground-state wave functions account for both β-decay branches.

Gaussian intrinsic entanglement for states with partial minimum uncertainty

NASA Astrophysics Data System (ADS)

Mišta, Ladislav; Baksová, Klára

2018-01-01

We develop a recently proposed theory of a quantifier of bipartite Gaussian entanglement called Gaussian intrinsic entanglement (GIE) [L. Mišta, Jr. and R. Tatham, Phys. Rev. Lett. 117, 240505 (2016), 10.1103/PhysRevLett.117.240505]. Gaussian intrinsic entanglement provides a compromise between computable and physically meaningful entanglement quantifiers and so far it has been calculated for two-mode Gaussian states including all symmetric partial minimum-uncertainty states, weakly mixed asymmetric squeezed thermal states with partial minimum uncertainty, and weakly mixed symmetric squeezed thermal states. We improve the method of derivation of GIE and show that all previously derived formulas for GIE of weakly mixed states in fact hold for states with higher mixedness. In addition, we derive analytical formulas for GIE for several other classes of two-mode Gaussian states with partial minimum uncertainty. Finally, we show that, like for all previously known states, also for all currently considered states the GIE is equal to Gaussian Rényi-2 entanglement of formation. This finding strengthens a conjecture about the equivalence of GIE and Gaussian Rényi-2 entanglement of formation for all bipartite Gaussian states.

Rigorous Relativistic Methods for Addressing {P}- and {T}-NONCONSERVATION in Heavy-Element Molecules

NASA Astrophysics Data System (ADS)

Fleig, Timo

2013-06-01

A new and rigorous method for accurate ab-initio calculations of the electron electric dipole moment {P,T}-odd interaction constant is presented. The approach uses string-based Configuration Interaction wavefunctions and Dirac four-component spinors as one-particle basis functions, and the {P,T}-odd constant is obtained as an expectation value over these correlated wavefunctions. The method has been applied to the HfF^+ molecular ion to determine spectroscopic constants for four low-lying electronic states. For one of these states (Ω = 1) we have determined a new accurate benchmark value for the effective electric field E_{ eff} correlating 34 valence and outer atomic core electrons and using wavefunction expansions with nearly 5 \\cdot 10^8 coefficients. For the Ω = 1 state of the ThO molecule the first ab-initio result for the electron EDM interaction constant is presented. Aspects of modern all-electron relativistic many-body approaches applicable to both atoms and molecules will be discussed, including perspectives for the treatment of other interesting candidate systems and {P}- or {P,T}-non-conserving effects in molecular systems. %Zero-kinetic-energy (ZEKE) photoelectron spectroscopy was used to probe the vibrational levels in the ground electronic state of the chlorobenzene cation using a two-color photoionization scheme via the S{_1} electronic state of the neutral. Exciting through different S{_1} vibrational levels has revealed mixing of some S{_1} normal coordinates in the ground state of the cation. A previously-identified Fermi resonance in the S{_1} state of the neutral is also confirmed by the ZEKE spectra. The adiabatic ionization energy is measured as 73 170±5 cm^{-1}. S. Knecht, H. J. Å. Jensen and T. Fleig J. Chem. Phys. {132}, 014108 (2010 T. Fleig, H. J. Å. Jensen, J. Olsen and L. Visscher J. Chem. Phys. {124}, 104106 (2006) T. Fleig and M. K. Nayak Phys. Rev. X {XXX}, XXXX (submitted). T. G. Wright, S. I. Panov and T. A. Miller J. Chem. Phys. {102}(12), XXXX March 1995.

Isochoric heating of low Z solid targets with sub 10 fs laser pulses

NASA Astrophysics Data System (ADS)

Osterholz, Jens

2004-11-01

The investigation of high density plasmas plays an important role for astrophysics, inertial confinement fusion and x-ray lasers. Therefore the generation of dense plasmas with ultra-intense laser pulses is a field of enormous topical interest. An upper limit of the maximum plasma density that can be achieved with this method, however, occurs due to the formation of a preplasma and the expansion of the plasma during the interaction [1,2]. Here we describe a novel approach that is based on a laser system that generates sub 10 fs pulses with a low prepulse energy. Isochoric heating is demonstrated with small Z solid targets. Time integrated XUV spectroscopy is used to investigate K-shell emission from the plasma. In the spectra, only the Ly α and He α lines are observed, whereas transitions from orbitals with principal quantum numbers n > 2 are not present. This series limit is explained by pressure ionisation in the dense plasma. The XUV spectra were simulated by two different models [3]. The first calculates the effect of pressure ionisation and the second calculates the line intensity ratios. Preliminary calculations suggest that the plasma density of the emitting region is close to solid density with an electron temperature of about 100eV. We conclude that our laser system is well suited for isochoric heating of solid targets and an efficient transfer of the laser energy to the dense region of the target is possible. In cooperation with: T. Fischer, F. Brandl, G. Pretzler and O. Willi, Heinrich-Heine-University Duesseldorf, Germany, S. J. Rose, University of Oxford, United Kingdom [1] D. Riley et al., PRL 69, 3739 (1992). [2] A. Saemann et al., PRL 82, 4843 (1999). [3] S. J. Rose, J Phys B: Atom Molec Opt Phys, 25, 1667 (1992), 31, 2129 (1998).

Comment on "Bit-string oblivious transfer based on quantum state computational distinguishability"

NASA Astrophysics Data System (ADS)

He, Guang Ping

2015-10-01

We show that in the protocol proposed in Phys. Rev. A 91, 042306 (2015), 10.1103/PhysRevA.91.042306, a dishonest sender can always ensure with certainty that the receiver fails to get the secret message. Thus the security requirement of oblivious transfer is not met. This security problem also makes the protocol unsuitable for serving as a building block for 1-out-of-2 oblivious transfer.

Instability in a system of two interacting liquid films: Formation of liquid bridges between solid surfaces

NASA Astrophysics Data System (ADS)

Forcada, Mikel L.

1993-01-01

A theoretical study of systems composed of two solid-supported liquid films that are subject to a mutual attractive interaction reveals the existence of a mechanical instability: for distances closer than a certain threshold value, the system composed by two separate liquid films has no stable equilibrium configurations, and the system collapses to form a single liquid body. The sudden condensation of a connecting liquid bridge when two solid surfaces are brought to close proximity inside an undersaturated medium has been observed experimentally using the surface-force apparatus [see, e.g., Christenson et al., Phys. Rev. B 39, 11750 (1989)]. In this paper, these results are explained as follows: first, liquid films condense on the surfaces; then, if the distance is short enough, the films jump to contact, because of a mechanical instability due to attractive interactions.

New Accurate Wavenumbers of H35Cl^+ and H37Cl^+ Rovibrational Transitions in the v=0-1 Band of the ^2Π State.

NASA Astrophysics Data System (ADS)

Domenech, Jose Luis; Cueto, Maite; Herrero, Victor Jose; Tanarro, Isabel; Cernicharo, Jose; Drouin, Brian

2015-06-01

HCl^+ is a key intermediate in the interstellar chemistry of chlorine. It has been recently identified in space from Herschel's spectra and it has also been detected in the laboratory through its optical emission, infrared and mm-wave spectra. Now that Hershchel is decomissioned, further astrophysical studies on this radical ion will likely rely on ground-based observations in the mid-infrared. We have used a difference frequency laser spectrometer coupled to a hollow cathode discharge to measure the absorption spectrum of H35Cl^+ and H37Cl^+ in the v=0-1 band of the ^2Π state with Dopppler limited resolution. The accuracy of the individual measurements (˜ 10 MHz (3σ)) relies on a solid state wavemeter referenced to an iodine-stabilized Ar^+ laser. The new data are being fit using the CALPGM software from JPL, and the current status will be presented. M. De Luca et al., Astrophys. J. Lett. 751, L37 (2012) W. D. Sheasley and C. W. Mathews, J. Mol. Spectrosc. 47, 420 (1973) P. B. Davies, P. A. Hamilton, B. A. Johnson, Mol. Phys. 57, 217 (1986) H. Gupta, B. J. Drouin, and J. C. Pearson, Astrophys. J. Lett. 751, L37 (2012)

Generalized Stone-Wales transformation as the possible origin of ferromagnetism in polymeric C60: a density-functional theory study.

PubMed

Ribas-Ariño, J; Novoa, Juan J

2006-11-07

Recently, there has been a proposal [Y.-H. Kim et al., Phys. Rev. B 68, 125420 (2003)] suggesting that ferromagnetic interactions in compressed and heated polymeric-C(60) solids could be due to the existence of triplet open cages resulting from successive generalized Stone-Wales transformations within the C(60) cage. Here, by performing B3LYP3-21G and B3LYP6-31G(d) optimizations, we carried out a systematic investigation of the thermodynamics and kinetics of the mechanism of generation of these open cages in their closed-shell singlet, open-shell singlet, and triplet states. We also computed the magnetic interactions induced by the open cages presenting a triplet ground state. Our results indicate that this mechanism is not appropriate to explain the ferromagnetism found in compressed and heated polymeric C(60) for the following reasons: (a) the formation of the only open cage presenting a triplet ground state requires overpassing a highest energy point of 318 kcal/mol, well above other competitive mechanisms reported in the literature; the triplet open cages formed are not stable against their transformation into a diamagnetic intermediate; (c) the magnetic interactions between two adjacent triplet open cages are antiferromagnetic.

Charging and Discharging of Amorphous Solid Water Ice: Effects of Porosity

NASA Astrophysics Data System (ADS)

Bu, Caixia; Baragiola, Raul A.

2015-11-01

Introduction: Amorphous solid water (ASW) is abundant on Saturn’s icy satellites and rings [1,2], where it is subject to bombardment of energetic ions, electrons, and photons; together with secondary electron and ion emission, this may leave the surfaces charged. Surface potential can affect the flux of incoming charged particles, altering surface evolution. We examined the role of porosity [3] on electrostatic charging and discharging of ASW films at 30-140 K.Experiment: Experiments were performed in ultra-high vacuum [4]. ASW films were deposited at 30 K onto a liquid-He-cooled quartz crystal microbalance (QCM). Film porosity was calculated from the areal mass via the QCM and thickness via a UV-visible interferometry. ASW films were charged at 30 K using 500 eV He+. Surface potentials (Vs) of the films were measured with a Kelvin probe, and infrared spectra were collected using a Fourier transform infrared spectrometer.Results: We measured Vs of the ASW film at 30 K as a function of ion fluence (F). The Vs(F) deviates from a straight line at low fluence, attributed to emitted secondary electrons due to the negative polarization voltage [5,6], and increases linearly when the Vs is positive. We also measured Vs as a function of annealing temperature. We prepared ASW films with various porosities by annealing the films to different temperatures (Ta) prior to irradiation or varying the vapor-beam incidence angle (θ). Upon heating, we observed sharp decreases of the Vs at temperatures that strongly depend on Ta and θ. Decreases of the infrared absorbance of the dangling OH bands of the charged film share similar trends as that of the Vs. We propose a model that includes porosity for electrostatic charging/discharging of ASW films at temperatures below 100 K. Results are applicable to the study of plasma-surface interactions of icy satellites and rings.References: [1] Jurac et al., J. Geophys. Res. 100, 14821 (1995); [2] A. L. Graps et al., Space Sci. Rev. 137, 435 (2008); [3] U. Raut et al., J. Chem. Phys. 127, 204713 (2007); [4] C. Bu and R. B. Baragiola, J. Chem. Phys. 143, 074702 (2015); [5] C. Bu et al., J. Chem. Phys. 142, 134702 (2015); [6] M. J. Iedema et al., J. Phys. Chem. B 102, 9203 (1998).

Exchange and Correlation Effects in a Double Barrier Quantum Well

NASA Astrophysics Data System (ADS)

Hasbun, J. E.

2003-03-01

Studies of electronic properties in double barrier resonant tunneling systems usually involve the solution of the BenDaniel-Duke equation (BDK) in the presence of an applied voltage. Electron interactions are included by means of the Hartree term and the wavefunction is self-consistently obtained by coupling the BDK with the Poisson equation. In this work, we go beyond the Hartree approximation by including exchange and correlation effects (v_xc) through the local density functional theory. The analytically parametrized v_xc of Hedin and Lunqvist footnote[1]L. Hedin and B. I. Lundqvist, J. Phys C: Solid. St. Phys. 4, 2064(1971) is employed. While the calculation of v_xc involves extra self-consistency conditions, it is shown that the inclusion of exchange and correlation effects may be important in the electronic characteristics of these devices. For our earlier model footnote[2]J. E. Hasbun, APS Bull. 47, 914(2002) the v_xc potential is comparable to the Hartree electron term at low electric field values, but less so for much higher field. The v_xc employed here ^2 is not appreciably different from the more sophisticated one of Perdew and Zunger footnote[3]J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048(1981). JH wishes to thank Mei-Yin Chou for helpful discussions

First-principles Raman Spectra of Lead Titanate with Pressure

NASA Astrophysics Data System (ADS)

Schad, A.; Ganesh, P.; Cohen, R. E.; Ahart, M.

2010-03-01

PbTiO3 displays[1,2] a morphotropic phase boundary (MPB) under pressure at which electromechanical properties are maximal. Previously only complex solid-solutions were thought to exhibit such a boundary. To aid in the experimental study of the MPB region, we compute Raman scattering spectra of different phases of PbTiO3 with pressure using a DFT based first-principles approach and Density Functional Perturbation Theory (DFPT) [3]. The computed intensities and shifts with pressure agree very well with the experimental data measured on powder samples. Computations further allow comparison of Raman spectra and shifts in energetically competing phases raising the possibility of using calculations for experimental calibration of Raman spectra at any pressure. The results substantiate previous claims of a low-temperature monoclinic phase at the MPB at approximately 10 GPa in PbTiO3 as well as refute the possibility of an I4cm phase at higher pressures as suggested by other groups [4]. [1] Z. Wu and R. E. Cohen, Phys. Rev. Lett. 95, 037601 (2005), [2] M. Ahart et.al., Nature 451, 545 (2008), [3] P. Hermet et.al., J. Phys.:Condens. Matter 21, 215901 (2009) [4] P.E. Janolin et.al., Phys. Rev. Lett. 101, 237601 (2008).

Surface phonons in the topological insulators Bi2Se3 and Bi2Te3

NASA Astrophysics Data System (ADS)

Boulares, Ibrahim; Shi, Guangsha; Kioupakis, Emmanouil; Lošťák, Petr; Uher, Ctirad; Merlin, Roberto

2018-03-01

Raman scattering [K. M. F. Shahil et al., Appl. Phys. Lett. 96, 153103 (2010), V. Gnezdilov et al., Phys. Rev. B 84, 195118 (2011) and H. -H. Kung et al., Phys. Rev. B 95, 245406 (2017)], inelastic helium scattering [X. Zhu et al., Phys. Rev. Lett. 107, 186102 (2011)] and photoemission experiments [J. A. Sobota et al., Phys. Rev. Lett. 113, 157401 (2014)] on the topological insulators Bi2Se3 and Bi2Te3 show features in the range ∼ 50-160 cm-1, which have been assigned alternatively to Raman-forbidden, bulk infrared modes arising from symmetry breaking at the surface or to surface phonons, which couple to the topologically protected electronic states. Here, we present temperature- and wavelength- dependent Raman studies showing additional modes we ascribe to surface phonons in both Bi2Se3 and Bi2Te3. Our assignment is supported by density functional theory calculations revealing surface phonons at frequencies close to those of the extra peaks in the Raman data. The theoretical results also indicate that these modes are not a consequence of spin-orbit coupling and, thus, that their occurrence is unrelated to the topological properties of these materials.

Spin squeezing a cold molecule

NASA Astrophysics Data System (ADS)

Bhattacharya, M.

2015-12-01

In this article we present a concrete proposal for spin squeezing the cold ground-state polar paramagnetic molecule OH, a system currently under fine control in the laboratory. In contrast to existing work, we consider a single, noninteracting molecule with angular momentum greater than 1 /2 . Starting from an experimentally relevant effective Hamiltonian, we identify an adiabatic regime where different combinations of static electric and magnetic fields can be used to realize the single-axis twisting Hamiltonian of Kitagawa and Ueda [M. Kitagawa and M. Ueda, Phys. Rev. A 47, 5138 (1993), 10.1103/PhysRevA.47.5138], the uniform field Hamiltonian proposed by Law et al. [C. K. Law, H. T. Ng, and P. T. Leung, Phys. Rev. A 63, 055601 (2001), 10.1103/PhysRevA.63.055601], and a model of field propagation in a Kerr medium considered by Agarwal and Puri [G. S. Agarwal and R. R. Puri, Phys. Rev. A 39, 2969 (1989), 10.1103/PhysRevA.39.2969]. We then consider the situation in which nonadiabatic effects are quite large and show that the effective Hamiltonian supports spin squeezing even in this case. We provide analytical expressions as well as numerical calculations, including optimization of field strengths and accounting for the effects of field misalignment. Our results have consequences for applications such as precision spectroscopy, techniques such as magnetometry, and stereochemical effects such as the orientation-to-alignment transition.

Entanglement criterion for tripartite systems based on local sum uncertainty relations

NASA Astrophysics Data System (ADS)

Akbari-Kourbolagh, Y.; Azhdargalam, M.

2018-04-01

We propose a sufficient criterion for the entanglement of tripartite systems based on local sum uncertainty relations for arbitrarily chosen observables of subsystems. This criterion generalizes the tighter criterion for bipartite systems introduced by Zhang et al. [C.-J. Zhang, H. Nha, Y.-S. Zhang, and G.-C. Guo, Phys. Rev. A 81, 012324 (2010), 10.1103/PhysRevA.81.012324] and can be used for both discrete- and continuous-variable systems. It enables us to detect the entanglement of quantum states without having a complete knowledge of them. Its utility is illustrated by some examples of three-qubit, qutrit-qutrit-qubit, and three-mode Gaussian states. It is found that, in comparison with other criteria, this criterion is able to detect some three-qubit bound entangled states more efficiently.

Rigorous proof for the nonlocal correlation function in the transverse Ising model with ring frustration.

PubMed

Dong, Jian-Jun; Zheng, Zhen-Yu; Li, Peng

2018-01-01

An unusual correlation function was conjectured by Campostrini et al. [Phys. Rev. E 91, 042123 (2015)PLEEE81539-375510.1103/PhysRevE.91.042123] for the ground state of a transverse Ising chain with geometrical frustration. Later, we provided a rigorous proof for it and demonstrated its nonlocal nature based on an evaluation of a Toeplitz determinant in the thermodynamic limit [J. Stat. Mech. (2016) 11310210.1088/1742-5468/2016/11/113102]. In this paper, we further prove that all the low excited energy states forming the gapless kink phase share the same asymptotic correlation function with the ground state. As a consequence, the thermal correlation function almost remains constant at low temperatures if one assumes a canonical ensemble.

Simulation of the single-vibronic-level emission spectrum of HPS.

PubMed

Mok, Daniel K W; Lee, Edmond P F; Chau, Foo-tim; Dyke, John M

2014-05-21

We have computed the potential energy surfaces of the X¹A' and ùA" states of HPS using the explicitly correlated multi-reference configuration interaction (MRCI-F12) method, and Franck-Condon factors between the two states, which include anharmonicity and Duschinsky rotation, with the aim of testing the assignment of the recently reported single-vibronic-level (SVL) emission spectrum of HPS [R. Grimminger, D. J. Clouthier, R. Tarroni, Z. Wang, and T. J. Sears, J. Chem. Phys. 139, 174306 (2013)]. These are the highest level calculations on these states yet reported. It is concluded that our spectral simulation supports the assignments of the molecular carrier, the electronic states involved and the vibrational structure of the experimental laser induced fluorescence, and SVL emission spectra proposed by Grimminger et al. [J. Chem. Phys. 139, 174306 (2013)]. However, there remain questions unanswered regarding the relative electronic energies of the two states and the geometry of the excited state of HPS.

Excited state electron affinity calculations for aluminum

NASA Astrophysics Data System (ADS)

Hussein, Adnan Yousif

2017-08-01

Excited states of negative aluminum ion are reviewed, and calculations of electron affinities of the states (3s^23p^2)^1D and (3s3p^3){^5}{S}° relative to the (3s^23p)^2P° and (3s3p^2)^4P respectively of the neutral aluminum atom are reported in the framework of nonrelativistic configuration interaction (CI) method. A priori selected CI (SCI) with truncation energy error (Bunge in J Chem Phys 125:014107, 2006) and CI by parts (Bunge and Carbó-Dorca in J Chem Phys 125:014108, 2006) are used to approximate the valence nonrelativistic energy. Systematic studies of convergence of electron affinity with respect to the CI excitation level are reported. The calculated value of the electron affinity for ^1D state is 78.675(3) meV. Detailed Calculations on the ^5S°c state reveals that is 1216.8166(3) meV below the ^4P state.

Private States, Quantum Data Hiding, and the Swapping of Perfect Secrecy.

PubMed

Christandl, Matthias; Ferrara, Roberto

2017-12-01

An important contribution to the understanding of quantum key distribution has been the discovery of entangled states from which secret bits, but no maximally entangled states, can be extracted [Horodecki et al., Phys. Rev. Lett. 94, 200501 (2005)PRLTAO0031-900710.1103/PhysRevLett.94.200501]. The construction of those states was based on an intuition that the quantum mechanical phenomena of data hiding and privacy might be related. In this Letter we firmly connect these two phenomena and highlight three aspects of this result. First, we simplify the definition of the secret key rate. Second, we give a formula for the one-way distillable entanglement of certain private states. Third, we consider the problem of extending the distance of quantum key distribution with help of intermediate stations, a setting called the quantum key repeater. We show that for protocols that first distill private states, it is essentially optimal to use the standard quantum repeater protocol based on entanglement distillation and entanglement swapping.

Experimental adaptive quantum tomography of two-qubit states

NASA Astrophysics Data System (ADS)

Struchalin, G. I.; Pogorelov, I. A.; Straupe, S. S.; Kravtsov, K. S.; Radchenko, I. V.; Kulik, S. P.

2016-01-01

We report an experimental realization of adaptive Bayesian quantum state tomography for two-qubit states. Our implementation is based on the adaptive experimental design strategy proposed in the work by Huszár and Houlsby [F. Huszár and N. M. T. Houlsby, Phys. Rev. A 85, 052120 (2012)., 10.1103/PhysRevA.85.052120] and provides an optimal measurement approach in terms of the information gain. We address the practical questions which one faces in any experimental application: the influence of technical noise and the behavior of the tomographic algorithm for an easy-to-implement class of factorized measurements. In an experiment with polarization states of entangled photon pairs, we observe a lower instrumental noise floor and superior reconstruction accuracy for nearly pure states of the adaptive protocol compared to a nonadaptive protocol. At the same time, we show that for the mixed states, the restriction to factorized measurements results in no advantage for adaptive measurements, so general measurements have to be used.

Private States, Quantum Data Hiding, and the Swapping of Perfect Secrecy

NASA Astrophysics Data System (ADS)

Christandl, Matthias; Ferrara, Roberto

2017-12-01

An important contribution to the understanding of quantum key distribution has been the discovery of entangled states from which secret bits, but no maximally entangled states, can be extracted [Horodecki et al., Phys. Rev. Lett. 94, 200501 (2005), 10.1103/PhysRevLett.94.200501]. The construction of those states was based on an intuition that the quantum mechanical phenomena of data hiding and privacy might be related. In this Letter we firmly connect these two phenomena and highlight three aspects of this result. First, we simplify the definition of the secret key rate. Second, we give a formula for the one-way distillable entanglement of certain private states. Third, we consider the problem of extending the distance of quantum key distribution with help of intermediate stations, a setting called the quantum key repeater. We show that for protocols that first distill private states, it is essentially optimal to use the standard quantum repeater protocol based on entanglement distillation and entanglement swapping.

Quantum computational universality of the Cai-Miyake-Dür-Briegel two-dimensional quantum state from Affleck-Kennedy-Lieb-Tasaki quasichains

NASA Astrophysics Data System (ADS)

Wei, Tzu-Chieh; Raussendorf, Robert; Kwek, Leong Chuan

2011-10-01

Universal quantum computation can be achieved by simply performing single-qubit measurements on a highly entangled resource state, such as cluster states. Cai, Miyake, Dür, and Briegel recently constructed a ground state of a two-dimensional quantum magnet by combining multiple Affleck-Kennedy-Lieb-Tasaki quasichains of mixed spin-3/2 and spin-1/2 entities and by mapping pairs of neighboring spin-1/2 particles to individual spin-3/2 particles [Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.82.052309 82, 052309 (2010)]. They showed that this state enables universal quantum computation by single-spin measurements. Here, we give an alternative understanding of how this state gives rise to universal measurement-based quantum computation: by local operations, each quasichain can be converted to a one-dimensional cluster state and entangling gates between two neighboring logical qubits can be implemented by single-spin measurements. We further argue that a two-dimensional cluster state can be distilled from the Cai-Miyake-Dür-Briegel state.

Rovibrational Quantum Dynamics of the Methane-Water Dimer

NASA Astrophysics Data System (ADS)

Sarka, János; Császár, Attila; Mátyus, Edit

2017-06-01

The challenging quantum dynamical description of the CH_4.H_2O complex has been solved variationally to provide theoretical explanation and assignment to the high-resolution spectroscopic measurements of the methane-water dimer carried out some twenty years ago. The computational results are in excellent agreement with the reported experimental transitions and the experimentally observed reversed rovibrational sequences, i.e., formally negative rotational excitation energies, are also obtained in the computations. In order to better understand the origin of these peculiar features in the energy-level spectrum, we studied all four possible combinations of the light and heavy isotopologues of methane and water and analyzed their rovibrational states using two limiting model systems: the rigidly rotating (RR) molecule and the coupled rotor (CR) system corresponding to the coupling of the two rotating monomers. All rovibrational quantum dynamical computations^{a,c} were carried out with rigid monomers and J = 0,1,2 total angular momentum quantum numbers using the fourth-age quantum chemical code GENIUSH and two different methane-water potential energy surfaces (PES). The numerical and formal analysis of the wave functions give insight into a fascinating complex world worth for further theoretical and experimental inquiries. J. Sarka, A. G. Császár, S. C. Althorpe, D. J. Wales and E. Mátyus, Phys. Chem. Chem. Phys. 18, 22816 (2016). L. Dore, R. C. Cohen, C. A. Schmuttenmaer, K. L. Busarow, M. J. Elrod, J. G. Loeser and R. J. Saykally, J. Chem. Phys. 100, 863 (1994). J. Sarka, A. G. Császár and E. Mátyus, Phys. Chem. Chem. Phys. accepted for publication (2017).} E. Mátyus, G. Czakó and A. G. Császár, J. Chem. Phys. 130, 134112 (2009). C. Fábri, E. Mátyus and A. G. Császár, J. Chem. Phys. 134, 074105 (2011). O. Akin-Ojo and K. Szalewicz, J. Chem. Phys. 123, 134311 (2005). C. Qu, R. Conte, P. L. Houston and J. M. Bowman, Phys. Chem. Chem. Phys. 17, 8172 (2015).

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

Kaminski, K.; Adrjanowicz, K.; Paluch, M.

Time-dependent isothermal dielectric measurements were carried out deeply in the glassy state on two very important saccharides: sucrose and trehalose. In both compounds two prominent secondary relaxation processes were identified. The faster one is an inherent feature of the whole family of carbohydrates. The slower one can also be detected in oligo- and polysaccharides. It was shown earlier that the {beta} process is the Johari-Goldstein (JG) relaxation coupled to motions of the glycosidic linkage, while the {gamma} relaxation originates from motions of the exocyclic hydroxymethyl unit. Recently, it was shown that the JG relaxation process can be used to determinemore » structural relaxation times in the glassy state [R. Casalini and C. M. Roland, Phys. Rev. Lett. 102, 035701 (2009)]. In this paper we present the results of an analysis of the data obtained during aging using two independent approaches. The first was proposed by Casalini and Roland, and the second one is based on the variation of the dielectric strength of the secondary relaxation process during aging [J. K. Vij and G. Power, J. Non-Cryst. Solids 357, 783 (2011)]. Surprisingly, we found that the estimated structural relaxation times in the glassy state of both saccharides are almost the same, independent of the type of secondary mode. This finding calls into question the common view that secondary modes of intramolecular origin do not provide information about the dynamics of the glassy state.« less

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

Childs, Andrew M.; Center for Theoretical Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139; Leung, Debbie W.

We present unified, systematic derivations of schemes in the two known measurement-based models of quantum computation. The first model (introduced by Raussendorf and Briegel, [Phys. Rev. Lett. 86, 5188 (2001)]) uses a fixed entangled state, adaptive measurements on single qubits, and feedforward of the measurement results. The second model (proposed by Nielsen, [Phys. Lett. A 308, 96 (2003)] and further simplified by Leung, [Int. J. Quant. Inf. 2, 33 (2004)]) uses adaptive two-qubit measurements that can be applied to arbitrary pairs of qubits, and feedforward of the measurement results. The underlying principle of our derivations is a variant of teleportationmore » introduced by Zhou, Leung, and Chuang, [Phys. Rev. A 62, 052316 (2000)]. Our derivations unify these two measurement-based models of quantum computation and provide significantly simpler schemes.« less

Functionalizing Ultra-Low Energy Nonlinear Optics: Analysis and Suppression of Quantum Fluctuations

DTIC Science & Technology

2010-01-24

34 Phys. Rev. A 80, 045802 (2009). M. A. Armen , A. E. Miller and H. Mabuchi, "Spontaneous Dressed-State Polarization in the Strong Driving Regime of...H. Mabuchi, “Derivation of Maxwell‐Bloch‐type equations by projection of quantum models,” Phys.  Rev. A 78, 015801, (2008).  [4]  M.  Armen  and H...models of switches for attojoule‐scale nanophotonic logic,” Phys. Rev. A 80,  045802 (2009).  [7] M. A.  Armen , A. E. Miller and H. Mabuchi, “Spontaneous

Raman spectroscopy of triolein under high pressures

NASA Astrophysics Data System (ADS)

Tefelski, D. B.; Jastrzębski, C.; Wierzbicki, M.; Siegoczyński, R. M.; Rostocki, A. J.; Wieja, K.; Kościesza, R.

2010-03-01

This article presents results of the high pressure Raman spectroscopy of triolein. Triolein, a triacylglyceride (TAG) of oleic acid, is an unsaturated fat, present in natural oils such as olive oil. As a basic food component and an energy storage molecule, it has considerable importance for food and fuel industries. To generate pressure in the experiment, we used a high-pressure cylindrical chamber with sapphire windows, presented in (R.M. Siegoczyński, R. Kościesza, D.B. Tefelski, and A. Kos, Molecular collapse - modification of the liquid structure induced by pressure in oleic acid, High Press. Res. 29 (2009), pp. 61-66). Pressure up to 750 MPa was applied. A Raman spectrometer in "macro"-configuration was employed. Raman spectroscopy provides information on changes of vibrational modes related to structural changes of triolein under pressure. Interesting changes in the triglyceride C‒H stretching region at 2650-3100 cm-1 were observed under high-pressures. Changes were also observed in the ester carbonyl (C˭ O) stretching region 1700-1780 cm-1 and the C‒C stretching region at 1050-1150 cm-1. The overall luminescence of the sample decreased under pressure, making it possible to set longer spectrum acquisition time and obtain more details of the spectrum. The registered changes suggest that the high-pressure solid phase of triolein is organized as β-polymorphic, as was reported in (C. Akita, T. Kawaguchi, and F. Kaneko, Structural study on polymorphism of cis-unsaturated triacylglycerol: Triolein, J. Phys. Chem. B 110 (2006), pp. 4346-4353; E. Da Silva and D. Rousseau, Molecular order and thermodynamics of the solid-liquid transition in triglycerides via Raman spectroscopy, Phys. Chem. Chem. Phys. 10 (2008), pp. 4606-4613) (with temperature-induced phase transitions). The research has shown that Raman spectroscopy in TAGs under pressure reveals useful information about its structural changes.

PREFACE: Wetting: introductory note

NASA Astrophysics Data System (ADS)

Herminghaus, S.

2005-03-01

The discovery of wetting as a topic of physical science dates back two hundred years, to one of the many achievements of the eminent British scholar Thomas Young. He suggested a simple equation relating the contact angle between a liquid surface and a solid substrate to the interfacial tensions involved [1], γlg cos θ = γsg - γsl (1) In modern terms, γ denotes the excess free energy per unit area of the interface indicated by its indices, with l, g and s corresponding to the liquid, gas and solid, respectively [2]. After that, wetting seems to have been largely ignored by physicists for a long time. The discovery by Gabriel Lippmann that θ may be tuned over a wide range by electrochemical means [3], and some important papers about modifications of equation~(1) due to substrate inhomogeneities [4,5] are among the rare exceptions. This changed completely during the seventies, when condensed matter physics had become enthusiastic about critical phenomena, and was vividly inspired by the development of the renormalization group by Kenneth Wilson [6]. This had solved the long standing problem of how to treat fluctuations, and to understand the universal values of bulk critical exponents. By inspection of the critical exponents of the quantities involved in equation~(1), John W Cahn discovered what he called critical point wetting: for any liquid, there should be a well-defined transition to complete wetting (i.e., θ = 0) as the critical point of the liquid is approached along the coexistence curve [7]. His paper inspired an enormous amount of further work, and may be legitimately viewed as the entrance of wetting into the realm of modern physics. Most of the publications directly following Cahn's work were theoretical papers which elaborated on wetting in relation to critical phenomena. A vast amount of interesting, and in part quite unexpected, ramifications were discovered, such as the breakdown of universality in thin film systems [8]. Simultaneously, a number of very specific and quantitative predictions were put forward which were aimed at direct experimental tests of the developed concepts [9]. Experimentally, wetting phenomena proved to be a rather difficult field of research. While contact angles seem quite easy to measure, deeper insight can only be gained by assessing the physical properties of minute amounts of material, as provided by the molecularly thin wetting layers. At the same time, the variations in the chemical potential relevant for studying wetting transitions are very small, such that system stability sometimes poses hard to solve practical problems. As a consequence, layering transitions in cryogenic systems were among the first to be thoroughly studied [10] experimentally, since they require comparably moderate stability. First-order wetting transitions were not observed experimentally before the early nineties, either in (cryogenic) quantum systems [11,12] or in binary liquid mixtures [13,14]. The first observation of critical wetting, a continuous wetting transition, in 1996 [15] was a major breakthrough [16]. In the meantime, a detailed seminal paper by Pierre Gilles de Gennes published in 1985 [17] had spurred a large number of new research projects which were directed to wetting phenomena other than those related to phase transitions. More attention was paid to non-equilibrium physics, as it is at work when oil spreads over a surface, or a liquid coating beads off (`dewets') from its support and forms a pattern of many individual droplets. This turned out to be an extremely fruitful field of research, and was more readily complemented by experimental efforts than was the case with wetting transitions. It was encouraging to find effects analogous to layering (as mentioned above) in more common systems such as oil films spreading on a solid support [18,19]. Long standing riddles such as the divergence of dissipation at a moving contact line were now addressed both theoretically and experimentally [20,21]. However, the requirements concerning resolution of the measurements, as well as the stability and cleanliness of the systems, were immense for the reasons mentioned above. The pronounced impact of impurities was already well-known from contact angle measurements, where one invariably observes quite significant hysteresis effects and history dependence of the measured angle due to minute substrate inhomogeneity. This is why pioneering work on characteristic patterns emerging upon dewetting of thin liquid films [22] opened a long lasting, and eventually very fruitful, controversy on the question whether the underlying mechanism was unstable surface waves [24] (which was unambiguously observed for the first time in 1996 [23]) or `just' nucleation from defects. By the mid-nineties, the physics of wetting had made its way into the canon of physical science topics in its full breadth. The number of fruitful aspects addressed by that time is far too widespread to be covered here with any ambition to completeness. The number of researchers turning to this field was continuously growing, and many problems had already been successfully resolved, and many questions answered. However, quite a number of fundamental problems remained, which obstinately resisted solution. Only a few shall be mentioned: There was no satisfactory explanation for triple point wetting [25], in particular for its ubiquity. The numerical values of contact line tensions in both theory and (very reproducible) experiments [26] were many orders of magnitude apart. In the particularly interesting field of structure formation, i.e., dewetting, there was no clear interpretation of many experimental results, and no possibility to distinguish with certainty between the different possible mechanisms. Furthermore, the impact of the rather strong non-linearities of the involved van der Waals forces was entirely unclear. In the more remote field of bionics, it was not clear how some plants manage to make liquids bead off so perfectly from their leaves. This list, which is of course far from complete, serves to illustrate the wide scope of open questions. At that time, research groups in Germany concerned with wetting phenomena gathered and finally applied for a priority programme on wetting and structure formation at interfaces, which obtained funding from the German Science Foundation [27]. This special issue is dedicated to the research carried out within this programme. It spans the period starting from spring 1998 until summer 2004, and is presented as a combination of review over that period and original presentation of the state-of-the-art at its end. Although only a very limited number of problems could be tackled within the programme, a few significant achievements could be attained. Some of these shall be highlighted: It could be shown that triple point wetting is a direct consequence of topographic substrate imperfection. By taking the bending energy of a solid slab on a rough substrate into account, accordance between theory [28] and experiment [29] was finally achieved. By applying scanning force microscopy to three phase contact lines, it could be shown that the `real' contact line tension is indeed much smaller than `observed' on macroscopic scale [39], and comes close to what is theoretically expected. In the field of structure formation by dewetting, unprecedented agreement between experiment [31], theory [32], and particularly careful simulations [33] was achieved. The underlying mechanisms could be clearly distinguished by means of Minkowski functionals. It could be shown both theoretically [34,35] and experimentally [36,37] that chemically patterned substrates give rise not only to a large variety of liquid morphologies, but that the latter can be manipulated and controlled in a precise manner. It was demonstrated that spherical (colloidal) beads may not only be used like surfactants as in Pickering emulsions, but that the resulting interface configurations may be applied to generate an amazing variety of well-controlled porous membranes, with a lot of potential applications [39]. This gives a flavour of the variety of topics addressed in the papers making up this issue. They are organized in five sections, each of which is opened with a short introduction explaining their mutual relation. For further access to the pertinent literature, the reader is referred to the references given in each article separately. References [1] Young T 1805 Philos. Trans. R. Soc. London 95 65 [2] Equation (1) is readily derived by demanding force balance at the contact line, where all three phases meet. [3] Lippmann G 1886 Anal. Chim. 48 776 [4] Cassie A B D and Baxter S 1944 Trans. Faraday Soc. 40 546 [5] Wenzel R N 1949 J. Phys. Chem. 53 1466 [6] Wilson K G 1971 Phys. Rev. B 4 3174 and 3184 [7] Cahn J W 1977 J. Chem. Phys. 66 3667 [8] See, for example Dietrich S and Schick M 1986 Phys. Rev. B 33 4952 [9] See, for example Cheng E et al 1991 Phys. Rev. Lett. 67 1007 [10] Dash J G and Ruvalds J (ed) 1980 Phase Transitions in Surface Films (NATO advanced study series vol B51) (New York: Plenum) [11] Nacher P J and Dupont-Roc J 1991 Phys. Rev. Lett. 67 2966 [12] Rutledge J E and Taborek P 1992 Phys. Rev. Lett. 69 937 [13] Bonn D, Kellay H and Wegdam G H 1992 Phys. Rev. Lett. 69 1975 [14] Bonn D, Kellay H and Wegdam G H 1993 J. Chem. Phys. 99 7115 [15] Ragil K et al 1996 Phys. Rev. Lett. 77 1532 [16] Findenegg G H and Herminghaus S 1997 Curr. Opin. Colloid Interface Sci. 2 301 [17] de Gennes P G 1985 Rev. Mod. Phys. 57 827 [18] Heslot F, Fraysse N and Cazabat A M 1989 Nature 338 1289 [19] Fraysse N et al 1993 J. Colloid Int. Sci. 158 27 [20] Huh C and Scriven L E 1971 J. Colloid Int. Sci. 35 85 [21] Brochard F et al 1994 Langmuir 10 1566 [22] Reiter G 1992 Phys. Rev. Lett. 68 75 [23] Bischof J et al 1996 Phys. Rev. Lett. 77 1536 [24] Ruckenstein E and Jain R K 1974 J. Chem. Soc. Faraday Trans. II 70 132 [25] Herminghaus S et al 1997 Annal. Phys. 6 425 [26] Li D and Neumann A W 1990 Colloids Surf. 43 195 [27] Deutsche Forschungsgemeinschaft, Schwerpunktprogramm 1052, `Benetzung und Strukturbildung an Grenzflächen' [28] Esztermann A and Löwen H 2005 J. Phys.: Condens. Matter 17 S429 [29] Sohaili M et al 2005 J. Phys.: Condens. Matter 17 S415 [30] Pompe T and Herminghaus S 2000 Phys. Rev. Lett. 85 1930 [31] Seemann R et al 2005 J. Phys.: Condens. Matter 17 S267 [32] Herminghaus S et al 1998 Science 282 916 [33] Becker J and Gr\\"un G 2005 J. Phys.: Condens. Matter 17 S291 [34] Lipowsky R \\etal 2005 J. Phys.: Condens. Matter 17 S537 [35] Dietrich S et al 2005 J. Phys.: Condens. Matter 17 S577 [36] Gau H et al 19999 Science 283 46 [37] Mugele F \\etal 2005 J. Phys.: Condens. Matter 17 S559 [38] Pfohl T et al 2003 Chem. Phys. Chem. 4 1291 [39 Xu H et al 2005 J. Phys.: Condens. Matter 17 S465

Observations on the Freezing of Supercooled Pollen Washing Water by a New Electrodynamic Balance

NASA Astrophysics Data System (ADS)

Tong, Haijie; Pope, Francis D.; Kalberer, Markus

2014-05-01

Primary biological particles can act as efficient ice nuclei (IN) by initiating freezing events at temperatures warmer than the homogenous freezing temperature [1, 2]. For example, pollen grain particles can trigger freezing events at temperatures as warm as -5 °C in the contact freezing mode [3]. More recently pollen residues, which are released by washing pollen grains in water, were also observed to act as efficient IN in the immersion mode [4, 5]. In this study we developed a new cold electrodynamic balance (CEDB) system and investigated the freezing properties of single particles of supercooled pollen washing water (SPWW). The EDB technique allows for a contact free measurement of freezing events. The phase of the particle (liquid or frozen solid) can be distinguished via measuring the Mie scattering signal from the particle. Furthermore the size of liquid (spherical) particles can be determined. The freezing events are characterized through the loss of the regular Mie scattering signal from the levitated droplet as it changes state from liquid to a frozen solid. The statistical freezing probabilities of SPWW were obtained in the temperature range: -15 to -40 °C. Each temperature measurement point consists of the analysis of 30-100 droplets. Preliminary conclusions are that SPWW is IN active in the immersion mode. Further discussion will focus on the temperature range of the IN activity, the important variables (other than temperature) for IN activity, other likely modes of IN activity, and the implications of these results in terms of the atmospheric relevance of SPWW. This study was supported by the NERC. We acknowledge Professor Jonathan Reid and James Davis from the University of Bristol for providing information of the design of the warm EDB system. References: [1] Möhler, O., et al. (2007) Biogeosciences, 4, 1059-1071. [2] Prenni, A. J., et al. (2009) Nat. Geosci., 2, 401-404. [3] Diehl, K., et al. (2002) Atmos. Res., 61, 125-133. [4] Pummer, B. G., et al. (2012) Atmos. Chem. Phys., 12, 2541-2550. [5] Augustin, S., et al. (2013) Atmos. Chem. Phys., 13, 10989-11003.

Non-Abelian gauge fields

NASA Astrophysics Data System (ADS)

Gerbier, Fabrice; Goldman, Nathan; Lewenstein, Maciej; Sengstock, Klaus

2013-07-01

Building a universal quantum computer is a central goal of emerging quantum technologies, which has the potential to revolutionize science and technology. Unfortunately, this future does not seem to be very close at hand. However, quantum computers built for a special purpose, i.e. quantum simulators , are currently developed in many leading laboratories. Many schemes for quantum simulation have been proposed and realized using, e.g., ultracold atoms in optical lattices, ultracold trapped ions, atoms in arrays of cavities, atoms/ions in arrays of traps, quantum dots, photonic networks, or superconducting circuits. The progress in experimental implementations is more than spectacular. Particularly interesting are those systems that simulate quantum matter evolving in the presence of gauge fields. In the quantum simulation framework, the generated (synthetic) gauge fields may be Abelian, in which case they are the direct analogues of the vector potentials commonly associated with magnetic fields. In condensed matter physics, strong magnetic fields lead to a plethora of fascinating phenomena, among which the most paradigmatic is perhaps the quantum Hall effect. The standard Hall effect consists in the appearance of a transverse current, when a longitudinal voltage difference is applied to a conducting sample. For quasi-two-dimensional semiconductors at low temperatures placed in very strong magnetic fields, the transverse conductivity, the ratio between the transverse current and the applied voltage, exhibits perfect and robust quantization, independent for instance of the material or of its geometry. Such an integer quantum Hall effect, is now understood as a deep consequence of underlying topological order. Although such a system is an insulator in the bulk, it supports topologically robust edge excitations which carry the Hall current. The robustness of these chiral excitations against backscattering explains the universality of the quantum Hall effect. Another interesting and related effect, which arises from the interplay between strong magnetic field and lattice potentials, is the famous Hofstadter butterfly: the energy spectrum of a single particle moving on a lattice and subjected to a strong magnetic field displays a beautiful fractal structure as a function of the magnetic flux penetrating each elementary plaquette of the lattice. When the effects of interparticle interactions become dominant, two-dimensional gases of electrons exhibit even more exotic behaviour leading to the fractional quantum Hall effect. In certain conditions such a strongly interacting electron gas may form a highly correlated state of matter, the prototypical example being the celebrated Laughlin quantum liquid. Even more fascinating is the behaviour of bulk excitations (quasi-hole and quasi-particles): they are neither fermionic nor bosonic, but rather behave as anyons with fractional statistics intermediate between the two. Moreover, for some specific filling factors (ratio between the electronic density and the flux density), these anyons are proven to have an internal structure (several components) and non-Abelian braiding properties. Many of the above statements concern theoretical predictions—they have never been observed in condensed matter systems. For instance, the fractional values of the Hall conductance is seen as a direct consequence of the fractional statistics, but to date direct observation of anyons has not been possible in two-dimensional semiconductors. Realizing these predictions in experiments with atoms, ions, photons etc, which potentially allow the experimentalist to perform measurements complementary to those made in condensed matter systems, is thus highly desirable! Non-Abelian gauge fields couple the motional states of the particles to their internal degrees of freedom (such as hyperfine states for atoms or ions, electronic spins for electrons, etc). In this sense external non-Abelian fields extend the concept of spin-orbit coupling (Rashba and Dresselhaus couplings), familiar from AMO and condensed matter physics. They lead to yet another variety of fascinating phenomena such as the quantum spin Hall effect, three-dimensional topological insulators, topological superconductors and superfluids of various kinds. One also expects here the appearance of excitations in a form of topological edge states that can support robust transport, or entangled Majorana fermions in the case of topological superconductors or superfluids. Again, while many kinds of topological insulators have been realized in condensed matter systems, a controlled way of creating them in AMO systems and studying quantum phase transitions between various kinds of them is obviously very appealing and challenging. The various systems listed so far correspond to static gauge fields, which are externally imposed by the experimentalists. Even more fascinating is the possibility of generating synthetically dynamical gauge fields, i.e. gauge fields that evolve in time according to an interacting gauge theory, e.g., a full lattice gauge theory (LGT). These dynamical gauge fields can also couple to matter fields, allowing the quantum simulation of such complex systems (notoriously hard to simulate using 'traditional' computers), which are particularly relevant for modern high-energy physics. So far, most of the theoretical proposals concern the simulation of Abelian gauge theories, however, several groups have recently proposed extensions to the non-Abelian scenarios. The scope of the present focused issue of Journal of Physics B is to cover all of these developments, with particular emphasis on the non-Abelian gauge fields. The 14 papers in this issue include contributions from the leading theory groups working in this field; we believe that this collection will provide the reference set for quantum simulations of gauge fields. Although the special issue contains exclusively theoretical proposals and studies, it should be stressed that the progress in experimental studies of artificial Abelian and non-Abelian gauge fields in recent years has been simply spectacular. Multiple leading groups are working on this subject and have already obtained a lot of seminal results. The papers in the special issue are ordered according to the date of acceptance. The issue opens with a review article by Zhou et al [1] on unconventional states of bosons with synthetic spin-orbit coupling. Next, the paper by Maldonado-Mundo et al [2] studies ultracold Fermi gases with artificial Rashba spin-orbit coupling in a 2D gas. Anderson and Charles [3], in contrast, discuss a three-dimensional spin-orbit coupling in a trap. Orth et al [4] investigate correlated topological phases and exotic magnetism with ultracold fermions, again in the presence of artificial gauge fields. The paper of Nascimbène [5] does not address the synthetic gauge fields directly, but describes an experimental proposal for realizing one-dimensional topological superfluids with ultracold atomic gases; obviously, this problem is well situated in the general and growing field of topological superfluids, in particular those realized in the presence of non-Abelian gauge fields/spin-orbit coupling. Graß et al [6] consider in their paper fractional quantum Hall states of a Bose gas with spin-orbit coupling induced by a laser. Particular attention is drawn here to the possibility of realizing states with non-Abelian anyonic excitations. Zheng et al [7] study properties of Bose gases with Raman-induced spin-orbit coupling. Kiffner et al [8] in their paper touch on another kind of system, namely ultracold Rydberg atoms. In particular they study the generation of Abelian and non-Abelian gauge fields in dipole-dipole interacting Rydberg atoms. The behaviour of fermions in synthetic non-Abelian gauge potentials is discussed by Shenoy and Vyasanakere [9]. The paper starts with the study of Rashbon condensates (i.e. Bose condensates in the presence of Rashba coupling) and also introduces novel kinds of exotic Hamiltonians. Goldman et al [10] propose a concrete setup for realizing arbitrary non-Abelian gauge potentials in optical square lattices; they discuss how such synthetic gauge fields can be exploited to generate Chern insulators. Zygelman [11], similarly as Kiffner et al [8], discusses in his paper non-Abelian gauge fields in Rydberg systems. Marchukov et al [12] return to the subject of spin-orbit coupling, and investigate spectral gaps of spin-orbit coupled particles in the realistic situations of deformed traps. The last two papers, in contrast, are devoted to different subjects. Edmonds et al [13] consider a 'dynamical' density-dependent gauge potential, and study the Josephson effect in a Bose-Einstein condensate subject to such a potential. Last, but not least, Mazzucchi et al [14] study the properties of semimetal-superfluid quantum phase transitions in 3D lattices with Dirac points. References [1] Zhou X, Li Y, Cai Z and Wu C 2013 J. Phys. B: At. Mol. Opt. Phys. 46 134001 [2] Maldonado-Mundo D, Öhberg P and Valiente M 2013 J. Phys. B: At. Mol. Opt. Phys. 46 134002 [3] Anderson B M and Clark C W 2013 J. Phys. B: At. Mol. Opt. Phys. 46 134003 [4] Orth P P, Cocks D, Rachel S, Buchhold M, Le Hur K and Hofstetter W 2013 J. Phys. B: At. Mol. Opt. Phys. 46 134004 [5] Nascimbène S 2013 J. Phys. B: At. Mol. Opt. Phys. 46 134005 [6] Graß T, Juliá-Díaz B, Burrello M and Lewenstein M 2013 J. Phys. B: At. Mol. Opt. Phys. 46 134006 [7] Zheng W, Yu Z-Q, Cui X and Zhai H 2013 J. Phys. B: At. Mol. Opt. Phys. 46 134007 [8] Kiffner M, Li W and Jaksch D 2013 J. Phys. B: At. Mol. Opt. Phys. 46 134008 [9] Shenoy V B and Vyasanakere J P 2013 J. Phys. B: At. Mol. Opt. Phys. 46 134009 [10] Goldman N, Gerbier F and Lewenstein M 2013 J. Phys. B: At. Mol. Opt. Phys. 46 134010 [11] Zygelman B 2013 J. Phys. B: At. Mol. Opt. Phys. 46 134011 [12] Marchukov O V, Volosniev A G, Fedorov D V, Jensen A S and Zinner N T 2013 J. Phys. B: At. Mol. Opt. Phys. 46 134012 [13] Edmonds M J, Valiente M and Öhberg P 2013 J. Phys. B: At. Mol. Opt. Phys. 46 134013 [14] Mazzucchi G, Lepori L and Trombettoni A 2013 J. Phys. B: At. Mol. Opt. Phys. 46 134014

Geometric description of modular and weak values in discrete quantum systems using the Majorana representation

NASA Astrophysics Data System (ADS)

Cormann, Mirko; Caudano, Yves

2017-07-01

We express modular and weak values of observables of three- and higher-level quantum systems in their polar form. The Majorana representation of N-level systems in terms of symmetric states of N  -  1 qubits provides us with a description on the Bloch sphere. With this geometric approach, we find that modular and weak values of observables of N-level quantum systems can be factored in N  -  1 contributions. Their modulus is determined by the product of N  -  1 ratios involving projection probabilities between qubits, while their argument is deduced from a sum of N  -  1 solid angles on the Bloch sphere. These theoretical results allow us to study the geometric origin of the quantum phase discontinuity around singularities of weak values in three-level systems. We also analyze the three-box paradox (Aharonov and Vaidman 1991 J. Phys. A: Math. Gen. 24 2315-28) from the point of view of a bipartite quantum system. In the Majorana representation of this paradox, an observer comes to opposite conclusions about the entanglement state of the particles that were successfully pre- and postselected.

Theoretical study on the cooperative exciton dissociation process based on dimensional and hot charge-transfer state effects in an organic photocell

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

Shimazaki, Tomomi; Nakajima, Takahito

2016-06-21

This paper discusses the exciton dissociation process at the donor–acceptor interface in organic photocells. In our previous study, we introduced a local temperature to handle the hot charge-transfer (CT) state and calculated the exciton dissociation probability based on the 1D organic semiconductor model [T. Shimazaki and T. Nakajima, Phys. Chem. Chem. Phys. 17, 12538 (2015)]. Although the hot CT state plays an essential role in exciton dissociations, the probabilities calculated are not high enough to efficiently separate bound electron–hole pairs. This paper focuses on the dimensional (entropy) effect together with the hot CT state effect and shows that cooperative behaviormore » between both effects can improve the exciton dissociation process. In addition, we discuss cooperative effects with site-disorders and external-electric-fields.« less

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

Ren, X.; Senftleben, A.; Pflueger, T.

Absolutely normalized (e,2e) measurements for H{sub 2} and He covering the full solid angle of one ejected electron are presented for 16 eV sum energy of both final state continuum electrons. For both targets rich cross-section structures in addition to the binary and recoil lobes are identified and studied as a function of the fixed electron's emission angle and the energy sharing among both electrons. For H{sub 2} their behavior is consistent with multiple scattering of the projectile as discussed before [Al-Hagan et al., Nature Phys. 5, 59 (2009)]. For He the binary and recoil lobes are significantly larger thanmore » for H{sub 2} and partly cover the multiple scattering structures. To highlight these patterns we propose a alternative representation of the triply differential cross section. Nonperturbative calculations are in good agreement with the He results and show discrepancies for H{sub 2} in the recoil peak region. For H{sub 2} a perturbative approach reasonably reproduces the cross-section shape but deviates in absolute magnitude.« less

Local surrounding of Mn in LaMn 1-xCo xO 3 compounds by means of EXAFS on Mn-K

NASA Astrophysics Data System (ADS)

Procházka, Vít; Sikora, Marcin; Kapusta, Czeslaw; Štěpánková, Helena; Chlan, Vojtěch; Knížek, Karel; Jirák, Zdeněk

2010-05-01

A systematic study of LaMn 1-xCo xO 3 perovskite series by means of X-ray absorption spectroscopy in the extended X-ray absorption fine structure (EXAFS) range of the K-absorption edge of Mn is reported. The Mn-K edge absorption measurements in the EXAFS region were performed to study the local surrounding of Mn ions. Polycrystalline powder samples of LaMn 1-xCo xO 3 ( x=0, 0.02; 0.2; 0.4; 0.5; 0.6; 0.8) prepared by solid-state reaction were used. The EXAFS spectra were analyzed with the FEFF8 computer program. The Mn-O distances of Mn to the nearest oxygen surroundings were evaluated for the samples in the series and compared with the Co-O distances obtained by EXAFS in V. Procházka et al., JMMM 310 (2007) 197 and with results of X-ray powder diffraction in C. Autret, J. Phys. Condens. Matter 17 (2005) 1601.

Universal exchange-driven phonon splitting

NASA Astrophysics Data System (ADS)

Deisenhofer, Joachim; Kant, Christian; Schmidt, Michael; Wang, Zhe; Mayr, Franz; Tsurkan, Vladimir; Loidl, Alois

2012-02-01

We report on a linear dependence of the phonon splitting on the non-dominant exchange coupling Jnd in the antiferromagnetic monoxides MnO, Fe0.92O, CoO and NiO, and in the highly frustrated antiferromagnetic spinels CdCr2O4, MgCr2O4 and ZnCr2O4. For the monoxides our results directly confirm the theoretical prediction of a predominantly exchange induced splitting of the zone-centre optical phonon [1,2]. We find the linear relation δφ= βJndS^2 with slope β = 3.7. This relation also holds for a very different class of systems, namely the highly frustrated chromium spinels. Our finding suggests a universal dependence of the exchange-induced phonon splitting at the antiferromagnetic transition on the non-dominant exchange coupling [3].[4pt] [1] S. Massidda et al., Phys. Rev. Lett. 82, 430 (1999).[0pt] [2] W. Luo et al., Solid State Commun. 142, 504 (2007).[0pt] [3] Ch. Kant et al., arxiv:1109.4809.

Effects of Rashba spin-orbit coupling, Zeeman splitting and gyrotropy in two-dimensional cavity polaritons under the influence of the Landau quantization

NASA Astrophysics Data System (ADS)

Moskalenko, Sveatoslav A.; Podlesny, Igor V.; Dumanov, Evgheni V.; Liberman, Michael A.

2015-09-01

We consider the energy spectrum of the two-dimensional cavity polaritons under the influence of a strong magnetic and electric fields perpendicular to the surface of the GaAs-type quantum wells (QWs) with p-type valence band embedded into the resonators. As the first step in this direction the Landau quantization (LQ) of the electrons and heavy-holes (hh) was investigated taking into account the Rashba spin-orbit coupling (RSOC) with third-order chirality terms for hh and with nonparabolicity terms in their dispersion low including as well the Zeeman splitting (ZS) effects. The nonparabolicity term is proportional to the strength of the electric field and was introduced to avoid the collapse of the semiconductor energy gap under the influence of the third order chirality terms. The exact solutions for the eigenfunctions and eigenenergies were obtained using the Rashba method [E.I. Rashba, Fiz. Tverd. Tela 2, 1224 (1960) [Sov. Phys. Solid State 2, 1109 (1960)

Universal Scaling in the Fan of an Unconventional Quantum Critical Point

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

Melko, Roger G; Kaul, Ribhu

2008-01-01

We present the results of extensive finite-temperature Quantum Monte Carlo simulati ons on a SU(2) symmetric,more » $S=1/2$$ quantum antiferromagnet with a frustrating four-s pin interaction -- the so-called 'JQ' model~[Sandvik, Phys. Rev. Lett. {\\bf 98}, 22 7202 (2007)]. Our simulations, which are unbiased, free of the sign-problem and car ried out on lattice sizes containing in excess of $$1.6\\times 10^4$$ spins, indicate that N\\'eel order is destroyed through a continuous quantum transition at a critica l value of the frustrating interaction. At larger values of this coupling the param agnetic state obtained has valence-bond solid order. The scaling behavior in the 'q uantum critical fan' above the putative critical point confirms a $$z=1$ quantum pha se transition that is not in the conventional $O(3)$ universality class. Our result s are consistent with the predictions of the 'deconfined quantum criticality' scena rio.« less

An Explosively Actuated Electrical Switch Using Kapton Insulation

DTIC Science & Technology

1993-03-01

ionization pin. This is consistent with a shock-induced conduction model because the conductivity is known to increase with pressure.5 The aluminum...34Shock Induced Electrical Activity in Polymeric Solids. A Mechanically Induced Bond Scission Model ," J. Phys. Chem., 83 (23), 1979, p. 3048. 9. Graham...NSWC, White Oak, MD. 6-2 NSWCDD/TR-92/124 DISTRIBUTION Copies Chief of Naval Research Attn: ONR1132P(R. Miller ) 1 ONT 20T (L. V. Schmidt) 1

General, Unified, Multiscale Modeling to Predict the Sensitivity of Energetic Materials

DTIC Science & Technology

2011-10-05

Time dependence of molecular carbon cluster size in solid methane shocked with a piston velocity up =11 km /s. The initial temperature and density were...Galilean in- variant in configuration space, but the kinetic energy of the system depends on the scalar product of the total momentum with U. To... dependent superheating of the x-component shock direction of kinetic energy . This 224513-4 Dawes et al. J. Chem. Phys. 131, 224513 2009 Author

Reply to Comment on ‘Authenticated quantum secret sharing with quantum dialogue based on Bell states'

NASA Astrophysics Data System (ADS)

Abulkasim, Hussein; Hamad, Safwat; Elhadad, Ahmed

2018-02-01

In the Comment made by Gao (2018 Phys. Scr. 93 027002), it has been shown that the multiparty case in our proposed scheme in Abulkasim et al (2016 Phys. Scr. 91 085101) is not secure, where Bob and Charlie can deduce Alice’s unitary operations without being detected. This reply shows a simple modification of the multiparty case to prevent the dishonest agents from performing this kind of attack.

Topological Valley Transport at Bilayer Graphene Domain Walls

DTIC Science & Technology

2015-04-22

2015. Published online 22 April 2015. 1. McCann, E. Asymmetry gap in the electronic band structure of bilayer graphene . Phys. Rev. B 74, 161403 (2006...6. Yao, W., Yang, S. A. & Niu, Q. Edge states in graphene : from gapped flat- band to gapless chiral modes. Phys. Rev. Lett. 102, 096801 (2009). 7...induced in bilayer graphene by an external electric field1–5, and such gapped bilayer graphene is predicted to be a topo- logical insulating phase

Electron Excitation of Free-Free Radiation in Argon and of Vibrational States of H2, D2 and O2.

DTIC Science & Technology

1983-04-01

and A. V. Phelps, J. Chen. Phys. (submitted). 19. L. K. Biberman and G. I. Norma , Usp. Piz. Nauk 91, 193 (1967) [Soy. Phys. Uspekii 10, 52 (1967...operated at 3/ of ls tbs x 10"-2 V2. Sae Th. A. ftihow, 3. A. Pogoebein, V. 1. labe45*o. A. X. Rogoahin, ad B. T. Rediomo,, 1b. Omp. Tee. 712. ?, 41 (1909

Isotherm-Based Thermodynamic Models for Solute Activities of Organic Acids with Consideration of Partial Dissociation.

PubMed

Nandy, Lucy; Ohm, Peter B; Dutcher, Cari S

2016-06-23

Organic acids make up a significant fraction of the organic mass in atmospheric aerosol particles. The calculation of gas-liquid-solid equilibrium partitioning of the organic acid is therefore critical for accurate determination of atmospheric aerosol physicochemical properties and processes such as new particle formation and activation to cloud condensation nuclei. Previously, an adsorption isotherm-based statistical thermodynamic model was developed for capturing solute concentration-activity relationships for multicomponent aqueous solutions over the entire concentration range (Dutcher et al. J. Phys. Chem. C/A 2011, 2012, 2013), with model parameters for energies of adsorption successfully related to dipole-dipole electrostatic forces in solute-solvent and solvent-solvent interactions for both electrolytes and organics (Ohm et al. J. Phys. Chem. A 2015). However, careful attention is needed for weakly dissociating semivolatile organic acids. Dicarboxylic acids, such as malonic acid and glutaric acid are treated here as a mixture of nondissociated organic solute (HA) and dissociated solute (H(+) + A(-)). It was found that the apparent dissociation was greater than that predicted by known dissociation constants alone, emphasizing the effect of dissociation on osmotic and activity coefficient predictions. To avoid additional parametrization from the mixture approach, an expression was used to relate the Debye-Hückel hard-core collision diameter to the adjustable solute-solvent intermolecular distance. An improved reference state treatment for electrolyte-organic aqueous mixtures, such as that observed here with partial dissociation, has also been proposed. This work results in predictive correlations for estimation of organic acid and water activities for which there is little or no activity data.

Refinement of pressure calibration for multi-anvil press experiments

NASA Astrophysics Data System (ADS)

Ono, S.

2016-12-01

Accurate characterization of the pressure and temperature environment in high-pressure apparatuses is of essential importance when we apply laboratory data to the study of the Earth's interior. Recently, the synchrotron X-ray source can be used for the high-pressure experiments, and the in situ pressure calibration has been a common technique. However, this technique cannot be used in the laboratory-based experiments. Even now, the conventional pressure calibration is of great interest to understand the Earth's interior. Several high-pressure phase transitions used as the pressure calibrants in the laboratory-based multi-anvil experiments have been investigated. Precise determinations of phase boundaries of CaGeO3 [1], Fe2SiO4 [2], SiO2, and Zr [3] were performed by the multi-anvil press or the diamond anvil cell apparatuses combined with the synchrotron X-ray diffraction technique. The transition pressures in CaGeO3 (garnet-perovskite), Fe2SiO4 (alfa-gamma), and SiO2 (coesite-stishovite) were in general agreement with those reported by previous studies. However, significant discrepancies for the slopes, dP/dT, of these transitions between our and previous studies were confirmed. In the case of Zr study [3], our experimental results elucidate the inconsistency in the transition pressure between omega and beta phase in Zr observed in previous studies. [1] Ono et al. (2011) Phys. Chem. Minerals, 38, 735-740.[2] Ono et al. (2013) Phys. Chem. Minerals, 40, 811-816.[3] Ono & Kikegawa (2015) J. Solid State Chem., 225, 110-113.

Sci-Sat AM: Radiation Dosimetry and Practical Therapy Solutions - 05: Not all geometries are equivalent for magnetic field Fano cavity tests

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

Malkov, Victor N.; Rogers, David W.O.

The coupling of MRI and radiation treatment systems for the application of magnetic resonance guided radiation therapy necessitates a reliable magnetic field capable Monte Carlo (MC) code. In addition to the influence of the magnetic field on dose distributions, the question of proper calibration has arisen due to the several percent variation of ion chamber and solid state detector responses in magnetic fields when compared to the 0 T case (Reynolds et al., Med Phys, 2013). In the absence of a magnetic field, EGSnrc has been shown to pass the Fano cavity test (a rigorous benchmarking tool of MC codes)more » at the 0.1 % level (Kawrakow, Med.Phys, 2000), and similar results should be required of magnetic field capable MC algorithms. To properly test such developing MC codes, the Fano cavity theorem has been adapted to function in a magnetic field (Bouchard et al., PMB, 2015). In this work, the Fano cavity test is applied in a slab and ion-chamber-like geometries to test the transport options of an implemented magnetic field algorithm in EGSnrc. Results show that the deviation of the MC dose from the expected Fano cavity theory value is highly sensitive to the choice of geometry, and the ion chamber geometry appears to pass the test more easily than larger slab geometries. As magnetic field MC codes begin to be used for dose simulations and correction factor calculations, care must be taken to apply the most rigorous Fano test geometries to ensure reliability of such algorithms.« less

Ab initio many-body calculations of nucleon scattering on ^16O

NASA Astrophysics Data System (ADS)

Navratil, Petr; Quaglioni, Sofia; Roth, Robert

2008-10-01

We develop a new ab initio many-body approachootnotetextS. Quaglioni and P. Navratil, arXiv:0804.1560. capable of describing simultaneously both bound and scattering states in light nuclei, by combining the resonating-group methodootnotetextY. C. Tang et al., Phys. Rep. 47, 167 (1978); K. Langanke and H. Friedrich, Advances in Nuclear Physics, Plenum, New York, 1987. with the ab initio no-core shell model (NCSM).ootnotetextP. Navratil, J. P. Vary, and B. R. Barrett, Phys. Rev. Lett. 84, 5728 (2000); Phys. Rev. C 62, 054311 (2000). In this way, we complement a microscopic-cluster technique with the use of realistic interactions, and a microscopic and consistent description of the nucleon clusters, while preserving Pauli principle and translational symmetry. We will present results for low-energy nucleon scattering on ^16O and for A=17 bound states obtained using realistic nucleon-nucleon potentials. The ^16O wave functions are calculated within the importance-truncated NCSMootnotetextR. Roth and P. Navratil, Phys. Rev. Lett. 99, 092501 (2007). that allows the use of model spaces up to 18φ and ultimately enables to reach convergence of phase-shifts and other observables. Prepared by LLNL under Contract DE-AC52-07NA27344. Support from the U.S. DOE/SC/NP (Work Proposal No. SCW0498), and from the U. S. Department of Energy Grant DE-FC02-07ER41457 is acknowledged.

Strong coupling corrections to the Ginzburg-Landau theory of superfluid He3

NASA Astrophysics Data System (ADS)

Choi, H.; Davis, J. P.; Pollanen, J.; Haard, T. M.; Halperin, W. P.

2007-05-01

In the Ginzburg-Landau theory of superfluid He3 , the free energy is expressed as an expansion of invariants of a complex order parameter. Strong coupling effects, which increase with increasing pressure, are embodied in the set of coefficients of these order-parameter invariants [A. J. Leggett, Rev. Mod. Phys. 47, 331 (1975); E. V. Thuneberg, Phys. Rev. B 36, 3583 (1987); J. Low Temp. Phys. 122, 657 (2001)]. Experiments can be used to determine four independent combinations of the coefficients of the five fourth-order invariants. This leaves the phenomenological description of the thermodynamics near Tc incomplete. Theoretical understanding of these coefficients is also quite limited. We analyze our measurements of the magnetic susceptibility and the NMR frequency shift in the B phase which refine the four experimental inputs to the phenomenological theory. We propose a model based on existing experiments, combined with calculations by Sauls and Serene [Phys. Rev. B 24, 183 (1981)] of the pressure dependence of these coefficients, in order to determine all five fourth-order terms. This model leads us to a better understanding of the thermodynamics of superfluid He3 in its various states. We discuss the surface tension of bulk superfluid He3 and predictions for novel states of the superfluid such as those that are stabilized by elastic scattering of quasiparticles from a highly porous silica aerogel.

Dirac Magnons in Honeycomb Ferromagnets

NASA Astrophysics Data System (ADS)

Pershoguba, Sergey S.; Banerjee, Saikat; Lashley, J. C.; Park, Jihwey; Ågren, Hans; Aeppli, Gabriel; Balatsky, Alexander V.

2018-01-01

The discovery of the Dirac electron dispersion in graphene [A. H. Castro Neto, et al., The Electronic Properties of Graphene, Rev. Mod. Phys. 81, 109 (2009), 10.1103/RevModPhys.81.109] led to the question of the Dirac cone stability with respect to interactions. Coulomb interactions between electrons were shown to induce a logarithmic renormalization of the Dirac dispersion. With a rapid expansion of the list of compounds and quasiparticle bands with linear band touching [T. O. Wehling, et al., Dirac Materials, Adv. Phys. 63, 1 (2014), 10.1080/00018732.2014.927109], the concept of bosonic Dirac materials has emerged. We consider a specific case of ferromagnets consisting of van der Waals-bonded stacks of honeycomb layers, e.g., chromium trihalides CrX3 (X =F , Cl, Br and I), that display two spin wave modes with energy dispersion similar to that for the electrons in graphene. At the single-particle level, these materials resemble their fermionic counterparts. However, how different particle statistics and interactions affect the stability of Dirac cones has yet to be determined. To address the role of interacting Dirac magnons, we expand the theory of ferromagnets beyond the standard Dyson theory [F. J. Dyson, General Theory of Spin-Wave Interactions, Phys. Rev. 102, 1217 (1956), 10.1103/PhysRev.102.1217, F. J. Dyson, Thermodynamic Behavior of an Ideal Ferromagnet, Phys. Rev. 102, 1230 (1956), 10.1103/PhysRev.102.1230] to the case of non-Bravais honeycomb layers. We demonstrate that magnon-magnon interactions lead to a significant momentum-dependent renormalization of the bare band structure in addition to strongly momentum-dependent magnon lifetimes. We show that our theory qualitatively accounts for hitherto unexplained anomalies in nearly half-century-old magnetic neutron-scattering data for CrBr3 [W. B. Yelon and R. Silberglitt, Renormalization of Large-Wave-Vector Magnons in Ferromagnetic CrBr3 Studied by Inelastic Neutron Scattering: Spin-Wave Correlation Effects, Phys. Rev. B 4, 2280 (1971), 10.1103/PhysRevB.4.2280, E. J. Samuelsen, et al., Spin Waves in Ferromagnetic CrBr3 Studied by Inelastic Neutron Scattering, Phys. Rev. B 3, 157 (1971), 10.1103/PhysRevB.3.157]. We also show that honeycomb ferromagnets display dispersive surface and edge states, unlike their electronic analogs.

Analytic Empirical Potential and its Comparison to State of the Art ab initio Calculations for the 6e^- Excited b(1^3Π_u)-STATE of Li_2.

NASA Astrophysics Data System (ADS)

Dattani, Nikesh S.; Le Roy, Robert J.

2015-06-01

Despite only having 6e^-, the most sophisticated Li_2(b,1^3Π_u) calculation has an r_e that disagrees with the empirical value by over 1500% of the latter's uncertainty, and energy spacings that disagree with those of the empirical potential by up to over 1.5cm-1. The discrepancy here is far more than for the ground state of the 5e^- system BeH, for which the best ab initio calculation gives an r_e which disagrees with the empirical value by less than 200% of the latter's uncertainty. In addition to this discrepancy, other reasons motivating the construction of an analytic empirical potential for Li_2(b,1^3Π_u) include (1) the fact that it is the most deeply bound Li_2 state, (2) it is the only Li_2 state out of the lowest five, for which no analytic empirical potential has yet been built, (3) the state it mixes with, the A(1^1σ_u)-state, is one of the most thoroughly characterized molecular states, but has a small gap of missing data in part of the region where it mixes with the b-state, and (4) it is one of the states accessible by new ultra-high precision techniques based on photoassociation. Finally (5) there is currently a discrepancy between the most sophisticated 3e- ab initio calculation, and the most current empirical value, for the first Li(^2S)-Li(^2P) interaction term (C_3), despite the latter being the most precise experimentally determined oscillator strength for any system, by an order of magnitude^e. The b-state is one of the states that has this exact C_3 interaction term. Musial & Kucharski (2014) J. Chem. Theor. Comp. 10, 1200. Dattani N. S. (2015) J. Mol. Spec. http://dx.doi.org/10.1016/j.jms.2014.09.005. Semczuk M., Li X., Gunton W., Haw M., Dattani N. S., Witz J., Mills A., Jones D. J., Madison K. W. (2013) Phys. Rev. A 87, 052505 Gunton W., Semczuk M., Dattani N. S., Madison K. W. (2013) Phys. Rev. A 88, 062510 Tang L.-Y., Yan Z.-C., Shi T.-Y., Mitroy J (2011) Phys. Rev. A 84, 052502. Le Roy R. J., Dattani N. S., Coxon J. A., Ross A. J., Crozet P., Linton C. (2009) J. Chem Phys. 131, 204309

EDITORIAL: Cluster issue on Heusler compounds and devices Cluster issue on Heusler compounds and devices

NASA Astrophysics Data System (ADS)

Felser, Claudia; Hillebrands, Burkard

2009-04-01

This is the third cluster issue of Journal Physics D: Applied Physics devoted to half-metallic Heusler compounds and devices utilizing this class of materials. Heusler compounds are named after Fritz Heusler, the owner of a German copper mine, the Isabellenhütte, who discovered this class of materials in 1903 [1]. He synthesized mixtures of Cu2Mn alloys with various main group metals Z = Al, Si, Sn, Sb, which became ferromagnetic despite all constituents being non-magnetic. The recent success story of Heusler compounds began in 1983 with the discovery of the half-metallic electronic structure in NiMnSb [2] and Co2MnZ [3], making these and similar materials, in particular PtMnSb, also useful for magneto-optical data storage media applications due to their high Kerr rotation. The real breakthrough, however, came in 2000 with the observation of a large magnetoresistance effect in Co2Cr0.6Fe0.4Al [4]. The Co2YZ (Y = Ti, Cr, Mn, Fe) compounds are a special class of materials, which follow the Slater-Pauling rule [5], and most of them are half-metallic bulk materials. The electronic structure of Heusler compounds is well understood [6] and Curie temperatures up to 1100 K have been observed [7]. In their contribution to this cluster issue, Thoene et al predict that still higher Curie temperatures can be achieved. A breakthrough from the viewpoint of materials design is the synthesis of nanoparticles of Heusler compounds as reported in the contribution by Basit et al. Nano-sized half- metallic ferromagnets will open new directions for spintronic applications. The challenge, however, is still to produce spintronic devices with well defined interfaces to take advantage of the half-metallicity of the electrodes. Several groups have succeeded in producing excellent tunnel junctions with high magnetoresistance effects at low temperatures and decent values at room temperature [8-11]. Spin-dependent tunnelling characteristics of fully epitaxial magnetic tunnel junctions with a Heusler alloy can be used to obtain information about the half-metallicity and the magnons as reported by Taira et al in this issue. An improvement of the tunnel magnetoresistance effect (TMR) at room temperature could be achieved by shifting the Fermi energy from the edges of the valence or the conduction band into the middle of the gap [12]. In the case of Co2FeSi0.5Al0.5 (CFAS), TMR values higher than 200% can be achieved [13]. The improvement of the interface seems to be important as has been shown by XMCD (x-ray magnetic circular dichroism) [14] and photoemission spectroscopy [15]. The interface magnetization is very often reduced [14]; however, the interface and the surface electron spin polarization can be improved by post annealing as reported by Wüstenberg et al in this issue. High energy photoemission spectroscopy is a new tool for investigating bulk properties of Heusler compounds [16]. In this issue we report on the investigation of a whole device structure by this technique due to the high escape depth inherent to this method in the contribution of Herbort et al. Dynamic correlations might be a reason for the formation of non-quasi-particles such as magnons in the gap [17], which destroy the half-metallicity and thus can be considered as another cause for the reduced TMR at room temperature. Thus correlations have to be taken into account. This is demonstrated for the Heusler compound Co2Mn1 - xFexSi as reported by Chadov et al in this issue. Magneto-optic methods are powerful instruments for investigating magnetic properties of Heusler compounds. The determination of the huge quadratic Kerr effect in the Co2FeSi Heusler compound is a good example [18]. In this issue Hamrle et al and Gaier et al report on the determination of the exchange constant by measuring the magnon dispersion properties using Brillouin light scattering spectroscopy. The magnon dispersion was calculated by Thoene et al. New developments in the field of spintronics go into the direction of the spin-Hall effect, spin-torque investigations and CPP GMR (current perpendicular plane giant magnetoresistance). Schneider et al have studied the Hall effect of laser ablated Co2(MnFe)Si thin films. Recently Inomata's group has reported on a high CPP GMR effect based on CFSA [19]. In this issue a theoretical study by Dai et al reports on the interfaces between CCFA and very thin chromium layers. Here the interface stays half-metallic which is a promising result regarding the realization of potential GMR devices. For spin-torque applications special requirements concerning the materials are necessary. Low damping constants, low magnetic moments and a perpendicular anisotropy are favourable properties. Ferrimagnetic Heusler compounds are candidates for low magnetic moments despite a high spin polarization and a high Curie temperature [20, 21]. Mn3Ga shows additionally a tetragonal distortion, which is favourable for perpendicular anisotropy [21]. The stability of Heusler compounds versus structural distortion is a well known phenomenon in shape memory alloys [22]. We hope this cluster of papers will inspire many researchers in the field of spintronics and motivate some of them to use these advanced materials for new devices. References [1] Heusler F 1903 Verh. Dtsch. Phys. Ges. 12 219 [2] de Groot R A, Müller F M, van Engen P G and Buschow K H J 1983 Phys. Rev. Lett. 50 2024 [3] Kübler J, Williams A R, Sommers C B 1983 Phys. Rev. B 28 1745 [4] Block T, Felser C and Jakob G 2003 J. Solid State Chem. 176 646 [5] Galanakis I, Mavropoulos Ph and Dederichs P H 2006 J. Phys. D: Appl. Phys. 39 765 [6] Kandpal H C, Fecher G H and Felser C 2007 J. Phys. D: Appl. Phys. 40 1507 [7] Wurmehl S, Fecher G H, Kandpal H C, Ksenofontov V, Felser C and Lin H J 2006 Appl. Phys. Lett. 86 032503 [8] Kämmerer S, Thomas A, Hütten A and Reiss G 2004 Appl. Phys. Lett. 85 79 [9] Yamato M, Marukame T, Ishikawa T, Matsuda K, Uemura T and Arita M 2006 J. Phys. D: Appl. Phys. 39 824 [10] Sakuraba Y, Hattori M, Oogane M, Ando Y, Kato H, Sakuma A, Miyazaki T and Kubota H 2006 Appl. Phys. Lett. 88 192508 [11] Inomata K, Okamura S, Miyazaki A, Kikuchi M, Tezuka N, Wojcik M and Jedryka E 2006 J. Phys. D: Appl. Phys. 39 816 [12] Fecher G H and Felser C 2007 J. Phys. D: Appl. Phys. 40 1582 [13] Tezuka N, Ikeda N, Miyazaki A, Sugimoto S, Kikuchi M and Inomata K 2006 Appl. Phys. Lett. 89 112514 [14] Kallmayer M, Schneider H, Jakob G, Elmers H J, Balke B and Cramm S 2007 J. Phys. D: Appl. Phys. 40 1552 [15] Cinchetti M, Wüstenberg J P, Sánchez Albaneda M, Steeb F, Conca A, Jourdan M and Aeschlimann M 2007 J. Phys. D: Appl. Phys. 40 1544 [16] Fecher G H, Balke B, Ouardi S, Felser C, Schonhense G, Ikenaga E, Kim J J, Ueda S and Kobayashi K 2007 J. Phys. D: Appl. Phys. 40 1576 [17] Chioncel L, Sakuraba Y, Arrigoni E, Katsnelson M I, Oogane M, Ando Y, Miyazaki T, Burzo E and Lichtenstein A I 2008 Phys. Rev. Lett. 100 086402 [18] Hamrle J, Blomeier S, Gaier O, Hillebrands B, Schneider H, Jakob G, Postava K and Felser C 2007 J. Phys. D: Appl. Phys. 40 1563 [19] Furubayashi T, Kodama K, Sukegawa H, Takahashi Y K, Inomata K and Hono K 2008 Appl. Phys. Lett. 93 122507 [20] Balke B, Fecher G H, Winterlik J and Felser C 2007 Appl. Phys. Lett. 90 152504 [21] Wurmehl S, Kandpal H C, Fecher G H and Felser C 2006 J. Phys.: Cond. Mat. 18 6171 [22] Entel P, Bucheinikov V D, Khovailo V V, Zayak A T, Adeagbo W A, Gruner M E, Herper H C and Wassermann E F 2006 J. Phys. D: Appl. Phys. 39 865

Quantum Teleportation of a Two Qubit State Using GHZ- Like State

NASA Astrophysics Data System (ADS)

Nandi, Kaushik; Mazumdar, Chandan

2014-04-01

Recently Yang et al. (Int. J. Theor. Phys. 48:516, 2009) had shown that using a particular type of GHZ- Like state as quantum channel, it is possible to teleport an arbitrary unknown qubit. We investigate this channel for the teleportation of a particular type of two qubit state.

Convex Optimization over Classes of Multiparticle Entanglement

NASA Astrophysics Data System (ADS)

Shang, Jiangwei; Gühne, Otfried

2018-02-01

A well-known strategy to characterize multiparticle entanglement utilizes the notion of stochastic local operations and classical communication (SLOCC), but characterizing the resulting entanglement classes is difficult. Given a multiparticle quantum state, we first show that Gilbert's algorithm can be adapted to prove separability or membership in a certain entanglement class. We then present two algorithms for convex optimization over SLOCC classes. The first algorithm uses a simple gradient approach, while the other one employs the accelerated projected-gradient method. For demonstration, the algorithms are applied to the likelihood-ratio test using experimental data on bound entanglement of a noisy four-photon Smolin state [Phys. Rev. Lett. 105, 130501 (2010), 10.1103/PhysRevLett.105.130501].

Microwave spectroscopy of high-L Rydberg states of nickel

NASA Astrophysics Data System (ADS)

Lindsay, Mark D.; Keele, Julie A.; Woods, Shannon L.; Lundeen, Stephen R.

2010-03-01

High-L non-penetrating Rydberg levels of nickel display a fine structure pattern consisting of six levels for each value of L. This pattern was studied recently with the optical RESIS technique, determining initial values of the quadrupole moment and polarizabilities of the ^2D5/2 ground state of Ni^+ [1]. Measurements are now in progress using the microwave RESIS technique [2], which promises much more precise measurements of the fine structure and of the related core properties, including the permanent hexadecapole moment.[4pt] [1] Julie A. Keele, et. al., to be published, Phys. Rev. A[0pt] [2] M.E. Hanni, et. al., Phys. Rev. A 78, 062510 (2008)

Weak limit of the three-state quantum walk on the line

NASA Astrophysics Data System (ADS)

Falkner, Stefan; Boettcher, Stefan

2014-07-01

We revisit the one-dimensional discrete time quantum walk with three states and the Grover coin, the simplest model that exhibits localization in a quantum walk. We derive analytic expressions for the localization and a long-time approximation for the entire probability density function (PDF). We find the possibility for asymmetric localization to the extreme that it vanishes completely on one site of the initial conditions. We also connect the time-averaged approximation of the PDF found by Inui et al. [Phys. Rev. E 72, 056112 (2005), 10.1103/PhysRevE.72.056112] to a spatial average of the walk. We show that this smoothed approximation predicts moments of the real PDF accurately.

Quantum Teleportation of a Three-qubit State using a Five-qubit Cluster State

NASA Astrophysics Data System (ADS)

Liu, Zhong-min; Zhou, Lin

2014-12-01

Recently Muralidharan and Panigrahi (Phys. Rev. A 78, 062333 2008) had shown that using a five-qubit cluster state as quantum channel, it is possible to teleport an arbitrary single-qubit state and an arbitrary two-qubit state. In this paper, we investigate this channel for the teleportation of a special form of three-qubit state.

Systematic parameter study of hadron spectra and elliptic flow from viscous hydrodynamic simulations of Au+Au collisions at sNN=200 GeV

NASA Astrophysics Data System (ADS)

Shen, Chun; Heinz, Ulrich; Huovinen, Pasi; Song, Huichao

2010-11-01

Using the (2+1)-dimensional viscous hydrodynamic code vish2+1 [H. Song and U. Heinz, Phys. Lett. BPYLBAJ0370-269310.1016/j.physletb.2007.11.019 658, 279 (2008); H. Song and U. Heinz, Phys. Rev. CPRVCAN0556-281310.1103/PhysRevC.77.064901 77, 064901 (2008); H. Song, Ph. D. thesis, The Ohio State University, 2009], we present systematic studies of the dependence of pion and proton transverse-momentum spectra and their elliptic flow in 200A GeV Au+Au collisions on the parameters of the hydrodynamic model (thermalization time, initial entropy density distribution, decoupling temperature, equation of state, and specific shear viscosity η/s). We identify a tension between the slope of the proton spectra, which (within hydrodynamic simulations that assume a constant shear viscosity to entropy density ratio) prefer larger η/s values, and the slope of the pT dependence of charged hadron elliptic flow, which prefers smaller values of η/s. Changing other model parameters does not appear to permit dissolution of this tension.

Local perturbations perturb—exponentially-locally

NASA Astrophysics Data System (ADS)

De Roeck, W.; Schütz, M.

2015-06-01

We elaborate on the principle that for gapped quantum spin systems with local interaction, "local perturbations [in the Hamiltonian] perturb locally [the groundstate]." This principle was established by Bachmann et al. [Commun. Math. Phys. 309, 835-871 (2012)], relying on the "spectral flow technique" or "quasi-adiabatic continuation" [M. B. Hastings, Phys. Rev. B 69, 104431 (2004)] to obtain locality estimates with sub-exponential decay in the distance to the spatial support of the perturbation. We use ideas of Hamza et al. [J. Math. Phys. 50, 095213 (2009)] to obtain similarly a transformation between gapped eigenvectors and their perturbations that is local with exponential decay. This allows to improve locality bounds on the effect of perturbations on the low lying states in certain gapped models with a unique "bulk ground state" or "topological quantum order." We also give some estimate on the exponential decay of correlations in models with impurities where some relevant correlations decay faster than one would naively infer from the global gap of the system, as one also expects in disordered systems with a localized groundstate.

Self-trapping of a light particle in a dense fluid: Application of scaled density-functional theory to the decay of orthopositronium

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

Reese, T.; Miller, B.N.

1990-11-15

The localization of a light particle (e.g., electron, positron, or positronium atom) in a fluid is known as self-trapping. In an earlier paper (B. N. Miller and T. L. Reese, Phys. Rev. A 39, 4735 (1989)) we showed that (1) the density-functional theories (DFT's) of self-trapping could be derived from a mesoscopic model that employs a quantum-mechanical description of the light particle and a classical description of the fluid, and (2) the application of scaling to the simplest variant of DFT results in a universal model for all fluids that obey the principle of corresponding states. In this paper wemore » apply the fully scaled theory to the pickoff annihilation of orthopositronium. Predictions of three different versions of the theory are compared with the experimental measurements of McNutt and Sharma on ethane (J. Chem. Phys. 68, 130 (1978)) and Tuomisaari, Rytsola, and Hautojarvi on argon (Phys. Lett. 112A, 279 (1988)). Best agreement is obtained from a model that incorporates transitions between localized and extended states.« less

Semiclassical Calculations of Peripheral Heavy-Ion Collisions at Fermi Energies and the Nuclear Equation of State

NASA Astrophysics Data System (ADS)

Souliotis, G. A.; Shetty, D. V.; Galanopoulos, S.; Yennello, S. J.

2008-10-01

A systematic study of quasi-elastic and deep-inelastic collisions at Fermi energies has been undertaken at Texas A&M aiming at obtaining information on the mechanism of nucleon exchange and the course towards N/Z equilibration [1,2]. We expect to get insight in the dynamics and the nuclear equation of state by comparing our experimental heavy residue data to detailed calculations using microscopic models of quantum molecular dynamics (QMD) type. At present, we have performed detailed calculations using the code CoMD (Constrained Molecular Dynamics) of A. Bonasera and M. Papa [3]. The code implements an effective interaction with a nuclear-matter compressibility of K=200 (soft EOS) with several forms of the density dependence of the nucleon-nucleon symmetry potential. CoMD imposes a constraint in the phase space occupation for each nucleon, effectively restoring the Pauli principle at each time step of the collision. Results of the calculations and comparisons with our data will be presented and implications concerning the isospin part of the nuclear equation of state will be discussed. [1] G.A. Souliotis et al., Phys. Rev. Lett. 91, 022701 (2003). [2] G.A. Souliotis et al., Phys. Lett. B 588, 35 (2004). [3] M. Papa et al., Phys. Rev. C 64, 024612 (2001).

Spin Observables for the ^3He(p,2p)^d_pn Proton Knockout Reaction at 497 MeV

NASA Astrophysics Data System (ADS)

Häusser, O.; Melconian, D.; Cummings, W. J.; Larson, B.; Lorenzon, W.; Brash, E. J.; Yen, S.; Walden, P.; Abegg, R.; Delheij, P. P. J.; Oelfke, U.; O'Donnell, J. M.; Roos, P. G.; Chant, N. S.; Epstein, M. B.; Aniol, K.; Rutt, P. M.

1997-10-01

Studies of the spin structure of ^3He are important and timely since ^3 He is used worldwide to investigate fundamental properties of the neutron. Unlike in previous (p,2p) knockout experiments, we were able to resolve the d and pn final states in the ^3He(p,2p) reaction using the two-arm magnetic spectrometer system DASS at TRIUMF. A cyclotron tune was developed to maintain the resolution of the 497 MeV proton beam at <= 0.7 MeV. The target consisted of 9 atm. ^3He gas, laser polarized to 70-80%. The spin observables A_000N, A_00N0 and A_00NN are compared to PWIA and DWIA calculations. A_00NN(d) is insensitive to distortion effects and provides a test of ^3He ground state wavefunctions [1-3]. The observables for the 3-body breakup channel are close to those for free (pp) scattering and provide information on small J=1 admixtures in the pn final state. 1. I.R. Afnan and N.D. Birrell, Phys. Rev. C16, 823 (1977). 2. Ch. Hajduk and P.U. Sauer, Nucl. Phys. A369, 321 (1981). 3. C. Ciofi degli Atti, E. Pace and G. Salme, Phys. Lett. B141, 14 (1984).

Molecular based equation of state for shocked liquid nitromethane.

PubMed

Desbiens, Nicolas; Bourasseau, Emeric; Maillet, Jean-Bernard; Soulard, Laurent

2009-07-30

An approach is proposed to obtain the equation of state of unreactive shocked liquid nitromethane. Unlike previous major works, this equation of state is not based on extended integration schemes [P.C. Lysne, D.R. Hardesty, Fundamental equation of state of liquid nitromethane to 100 kbar, J. Chem. Phys. 59 (1973) 6512]. It does not follow the way proposed by Winey et al. [J.M. Winey, G.E. Duvall, M.D. Knudson, Y.M. Gupta, Equation of state and temperature measurements for shocked nitromethane, J. Chem. Phys. 113 (2000) 7492] where the specific heat C(v), the isothermal bulk modulus B(T) and the coefficient of thermal pressure (deltaP/deltaT)(v) are modeled as functions of temperature and volume using experimental data. In this work, we compute the complete equation of state by microscopic calculations. Indeed, by means of Monte Carlo molecular simulations, we have proposed a new force field for nitromethane that lead to a good description of shock properties [N. Desbiens, E. Bourasseau, J.-B. Maillet, Potential optimization for the calculation of shocked liquid nitromethane properties, Mol. Sim. 33 (2007) 1061; A. Hervouët, N. Desbiens, E. Bourasseau, J.-B. Maillet, Microscopic approaches to liquid nitromethane detonation properties, J. Phys. Chem. B 112 (2008) 5070]. Particularly, it has been shown that shock temperatures and second shock temperatures are accurately reproduced which is significative of the quality of the potential. Here, thermodynamic derivative properties are computed: specific heats, Grüneisen parameter, sound velocity among others, along the Hugoniot curve. This work constitutes to our knowledge the first determination of the equation of state of an unreactive shocked explosive by molecular simulations.

Nonlocality of the original Einstein-Podolsky-Rosen state

NASA Astrophysics Data System (ADS)

Cohen, O.

1997-11-01

We examine the properties and behavior of the original Einstein-Podolsky-Rosen (EPR) wave function [Phys. Rev. 47, 777 (1935)] and related Gaussian-correlated wave functions. We assess the degree of entanglement of these wave functions and consider an argument of Bell [Ann. (N.Y.) Acad. Sci. 480, 263 (1986)] based on the Wigner phase-space distribution [Phys. Rev. 40, 749 (1932)], which implies that the original EPR correlations can accommodate a local hidden-variable description. We extend Bell's analysis to the related Gaussian wave functions. We then show that it is possible to identify definite nonlocal aspects for the original EPR state and related states. We describe possible experiments that would demonstrate these nonlocal features through violations of Bell inequalities. The implications of our results, and in particular their relevance for the causal interpretation of quantum mechanics, are considered.

Torsional, Vibrational and Vibration-Torsional Levels in the S_{1} and Ground Cationic D_{0}^{+} States of Para-Fluorotoluene

NASA Astrophysics Data System (ADS)

Gardner, Adrian M.; Tuttle, William Duncan; Whalley, Laura E.; Claydon, Andrew; Carter, Joseph H.; Wright, Timothy G.

2017-06-01

The S_{1} electronic state and ground state of the cation of para-fluorotoluene (pFT) have been investigated using resonance-enhanced multiphoton ionization (REMPI) spectroscopy and zero-kinetic-energy (ZEKE) spectroscopy. Here we focus on the low wavenumber region where a number of "pure" torsional, fundamental vibrational and vibration-torsional levels are expected; assignments of observed transitions are discussed, which are compared to results of published work on toluene (methylbenzene) from the Lawrance group. The similarity in the activity observed in the excitation spectrum of the two molecules is striking. A. M. Gardner, W. D. Tuttle, L. Whalley, A. Claydon, J. H. Carter and T. G. Wright, J. Chem. Phys., 145, 124307 (2016). J. R. Gascooke, E. A. Virgo, and W. D. Lawrance J. Chem. Phys., 143, 044313 (2015).

Generalized seniority on a deformed single-particle basis

NASA Astrophysics Data System (ADS)

Jia, L. Y.

2017-09-01

Recently, I proposed a fast computing scheme for generalized seniority on a spherical single-particle basis [J. Phys. G: Nucl. Part. Phys. 42, 115105 (2015), 10.1088/0954-3899/42/11/115105]. This work redesigns the scheme to make it applicable to deformed single-particle basis. The algorithm is applied to the rare-earth-metal nucleus 94 64 158Gd for intrinsic (body-fixed frame) neutron excitations under the low-momentum NN interaction Vlow -k. By allowing as many as four broken pairs, I compute the lowest 300 intrinsic states of several multipolarities. These states converge well to the exact ones, showing generalized seniority is very effective in truncating the deformed shell model. Under realistic interactions, the picture remains approximately valid: The ground state is a coherent pair condensate and the pairs gradually break up as excitation energy increases.

United States Air Force Geophysics Scholar Program, 1982-1983.

DTIC Science & Technology

1984-03-01

Surveyor," Federal Geodetic Control Committee: FrCCIS-83-2, Rockville, Maryland. 2-13 Hothem, L.D., T. Vincenty and D.B. Hoyle , "Analyses of Doppler...to thank Fred Dale for his technical support and John Paulson for many helpful discussions. 9-3 I. Objectives Negative ion-molecule reactions play an...O’Malley, Phys. Rev. 150, 14 (1966). port of Fred Dale. This work has been supported in 2 L. Dub& and A. Herzenberg, Phys. Rev. Lett. 38, 820 (1977). part

Unraveling the Nature of Chemical Reactivity of Complex Systems

DTIC Science & Technology

2009-01-13

28 J. Zhou, J. J. Lin, W. Shiu, and K. Liu, J. Chem. Phys. 119, 4997 2003. 29 S. C. Althorpe, F. Fernandez - Alonso , B. D. Bean, J. D. Ayers, A. E...Truhlar DG, Espinosa- Garcia J (2000) Potential energy surface, thermal, and state-selected rate coefficients, and kinetic isotope effects for Cl CH43...HCl CH3. J Chem Phys 112:9375–9389. 22. Rangel C, Navarrete M, Corchado JC, Espinosa- Garcia J (2006) Potential energy surface, kinetics, and

Army Science Conference Proceedings (16th) Held in Fort Monroe, Virginia on 25-27 October 1988. Addenda

DTIC Science & Technology

1988-10-27

spectrum for the superconducting state is made complex by the appearence of the Holstein absorption process[5-81. The coupling between electrons and...Nudelman, (New York: Plenum Press, 1970), p. 223. 5. T. Holstein , Phys. Rev. 96, 535 (1954). 6. R. R. Joyce and P. L. Richards, Phys. Rev. Lett. 24...Transgenic animals include cows , which can produce the drug Factor IX for hemophilia in their milk, and chickens which can be made resistant to infection by

Kinetic restriction of simple gases in porous carbons: transition-state theory study.

PubMed

Nguyen, Thanh X; Bhatia, Suresh K

2008-01-01

The separation of simple gases such as N2, Ar, CO2, and CH4 is an industrially important problem, particularly for the mitigation of greenhouse emissions. Furthermore, these gases are widely accepted as standard probing gases for the characterization of the microstructure of porous solids. However, a consistent set of microstructural parameters of a microporous solid determined from the use of adsorption measurements of these different gases is not always achieved because of differences in their pore accessibility. This is a long-standing and poorly understood problem. Here, we present the calculated results of the crossing time of N2, Ar, CO2, and CH4 between two neighboring cages through a constricted window in a realistic structural model of saccharose char, generated from hybrid reverse Monte Carlo (HRMC) simulation (Nguyen, T. X.; Bhatia, S. K.; Jain, S. K.; Gubbins, K. E. Mol. Simul. 2006, 32, 567-577) using transition state theory (TST), as described in our recent work (Nguyen, T. X.; Bhatia, S. K. J. Phys. Chem. 2007, 111, 2212-2222). The striking feature in these results is that whereas very fast diffusion of carbon dioxide within the temperature range of 273-343 K, with crossing time on the molecular dynamics scale (10-4-10-6 s), leads to instantaneous equilibrium and no hysteresis on the experimental time scale, slower diffusion of Ar and N2 at the low temperature of analysis indicates an accessibility problem. These results rationalize the experimental results of hysteresis for N2 at 77 K and Ar at 87 K but not for CO2 at 273 K in Takeda 3 A carbon molecular sieves. Furthermore, it is shown that CH4 diffusion through narrow pore mouths can be hindered even at ambient temperature. Finally, we show that the use of pore size and wall thickness distributions extracted from the adsorption of Ar at 87 K using the finite wall thickness (FWT) model (Nguyen, T. X.; Bhatia, S. K. Langmuir 2004, 20, 3532-3535 and Nguyen, T. X.; Bhatia, S. K. J. Phys. Chem. B 2004, 108, 14032-14042) provides the correct prediction of experimental CO2 adsorption in BPL and PCB carbons whereas that from N2 at 77 K gives a significant underprediction for both CO2 and CH4 in the BPL carbon. These trends are in excellent agreement with those predicted using the calculated crossing times.

Infrared Spectrum of CO-O2, a 'new' Weakly-Bound Complex

NASA Astrophysics Data System (ADS)

McKellar, Bob; Barclay, A. J.; Michaelian, K. H.; Moazzen-Ahmadi, Nasser

2016-06-01

Only a few weakly-bound complexes containing the O2 molecule have been characterized by high-resolution spectroscopy, notably N2O-O2 [1] and HF-O2 [2]. This neglect is no doubt due in part to the complications added by the oxygen unpaired electron spin. Here we report an extensive infrared spectrum of CO-O2, as observed in the CO fundamental band region (˜2150 wn) using a tunable quantum cascade laser to probe a pulsed supersonic jet expansion. The derived energy level pattern consists of 'stacks' characterized by K, the projection of the total angular momentum on the intermolecular axis. Five such stacks are observed in the ground vibrational state, and ten in the excited state, v(CO) = 1. They are divided into two groups, with no observed transitions between groups, and we believe these groups correlate with the two lowest rotational states of O2, namely (N, J) = (1, 0) and (1, 2). In many ways, the spectrum and energy levels are similar to those of CO-N2 [3], and we use the same approach for analysis, simply fitting each stack with its own origin, B-value, and distortion constants. The rotational constant of the lowest stack in the ground state (with K = 0) implies an effective intermolecular separation of 3.82 Å, but this should be interpreted with caution since it ignores possible effects of electron spin. [1] H.-B. Qian, D. Seccombe, and B.J. Howard, J. Chem. Phys. 107, 7658 (1997). [2] W.M. Fawzy, C.M. Lovejoy, D.J. Nesbitt, and J.T. Hougen, J. Chem. Phys. 117, 693 (2002); S. Wu, G. Sedo, E.M. Grumstrup, and K.R. Leopold, J. Chem. Phys. 127, 204315 (2007). [3] M. Rezaei, K.H. Michaelian, N. Moazzen-Ahmadi, and A.R.W. McKellar, J. Phys. Chem. A 117, 13752 (2013), and references therein.

Microscopic spin Hamiltonian approaches for 3d8 and 3d2 ions in a trigonal crystal field - perturbation theory methods versus complete diagonalization methods

NASA Astrophysics Data System (ADS)

Rudowicz, Czeslaw; Yeung, Yau-yuen; Yang, Zi-Yuan; Qin, Jian

2002-06-01

In this paper, we critically review the existing microscopic spin Hamiltonian (MSH) approaches, namely the complete diagonalization method (CDM) and the perturbation theory method (PTM), for 3d8(3d2) ions in a trigonal (C3v, D3, D3d) symmetry crystal field (CF). A new CDM is presented and a CFA/MSH computer package based on our crystal-field analysis (CFA) package for 3dN ions is developed for numerical calculations. Our method takes into account the contribution to the SH parameters (D, g∥ and g⊥) from all 45 CF states for 3d8(3d2) ions and is based on the complete diagonalization of the Hamiltonian including the electrostatic interactions, the CF terms (in the intermediate CF scheme) and the spin-orbit coupling. The CFA/MSH package enables us to study not only the CF energy levels and wavefunctions but also the SH parameters as functions of the CF parameters (B20, B40 and B43 or alternatively Dq, v and v') for 3d8(3d2) ions in trigonal symmetry. Extensive comparative studies of other MSH approaches are carried out using the CFA/MSH package. First, we check the accuracy of the approximate PTM based on the `quasi-fourth-order' perturbation formulae developed by Petrosyan and Mirzakhanyan (PM). The present investigations indicate that the PM formulae for the g-factors (g∥ and g⊥) indeed work well, especially for the cases of small v and v' and large Dq, whereas the PM formula for the zero-field splitting (ZFS) exhibits serious shortcomings. Earlier criticism of the PM approach by Zhou et al (Zhou K W, Zhao S B, Wu P F and Xie J K 1990 Phys. Status Solidi b 162 193) is then revisited. Second, we carry out an extensive comparison of the results of the present CFA/MSH package and those of other CDMs based on the strong- and weak-CF schemes. The CF energy levels and the SH parameters for 3d2 and 3d8 ions at C3v symmetry sites in several crystals are calculated and analysed. Our investigations reveal serious inconsistencies in the CDM results of Zhou et al and Li (Li Y 1995 J. Phys.: Condens. Matter 7 4075) based on the strong-CF scheme for Ni2+ ions in LiNbO3 crystals. The correctness of our CFA/MSH package is verified by comparing our results with the predictions of Ma et al (Ma D P, Ma N, Ma X D and Zhang H M 1998 J. Phys. Chem. Solids 59 1211, Ma D P, Ma X D, Chen J R and Liu Y Y 1997 Phys. Rev. B 56 1780) and Macfarlane (Macfarlane R M 1964 J. Chem. Phys. 40 373) for α-Al2O3 : V3+(3d2) and MgO : Ni2+(3d8). It appears that the two independent approaches show perfect agreement with our approach, unlike those of Zhou et al and Li, which turn out to be unreliable. Our results reveal that the contributions to the ZFS parameter from the higher excited states cannot be neglected; also, the ZFS parameter is very sensitive to slight changes of the crystal structure. Hence our CFA/MSH package, which takes into account the contributions to the ZFS parameter from the higher excited states, can provide reliable results and proves to be a useful tool for the studies of the effect of the lattice distortions, defects and structural disorder on the spectroscopic properties of 3d2 and 3d8 ions at trigonal symmetry sites in crystals.

Bulk modulus of two-dimensional liquid dusty plasmas and its application

NASA Astrophysics Data System (ADS)

Li, Wei; Lin, Wei; Feng, Yan

2017-04-01

From the recently obtained equation of state [Feng et al., J. Phys. D: Appl. Phys. 49, 235203 (2016) and Feng et al., Phys. Plasmas 23, 093705 (2016); Erratum 23, 119904 (2016)], the bulk modulus of elasticity K of 2D liquid dusty plasmas is analytically derived as the expression of the temperature and the screening parameter. Exact values of the obtained bulk modulus of elasticity K are reported and also plotted in the 2D plane of the temperature and the screening parameter. As the temperature and the screening parameter change, the variation trend of K is reported and the corresponding interpretation is suggested. It has been demonstrated that the obtained bulk modulus of elasticity K can be used to predict the longitudinal sound speed, which agrees well with previous studies.

Normal Modes of Magnetized Finite Two-Dimensional Yukawa Crystals

NASA Astrophysics Data System (ADS)

Marleau, Gabriel-Dominique; Kaehlert, Hanno; Bonitz, Michael

2009-11-01

The normal modes of a finite two-dimensional dusty plasma in an isotropic parabolic confinement, including the simultaneous effects of friction and an external magnetic field, are studied. The ground states are found from molecular dynamics simulations with simulated annealing, and the influence of screening, friction, and magnetic field on the mode frequencies is investigated in detail. The two-particle problem is solved analytically and the limiting cases of weak and strong magnetic fields are discussed.[4pt] [1] C. Henning, H. K"ahlert, P. Ludwig, A. Melzer, and M.Bonitz. J. Phys. A 42, 214023 (2009)[2] B. Farokhi, M. Shahmansouri, and P. K. Shukla. Phys.Plasmas 16, 063703 (2009)[3] L. Cândido, J.-P. Rino, N. Studart, and F. M. Peeters. J. Phys.: Condens. Matter 10, 11627--11644 (1998)

Optical second harmonic spectroscopy of silicon-adsorbate surfaces and silicon nanocrystals

NASA Astrophysics Data System (ADS)

Downer, Michael

2002-03-01

Second harmonic generation (SHG) provides a surface-specific, noninvasive probe of adsorbates. However, microscopic first-principles theory of adsorbate-specific spectroscopic SHG responses has proven elusive. Here we present experimental SHG spectra for six well-characterized, technologically important Si(001) surfaces in ultrahigh vacuum (UHV): clean Si(001)-2x1 and Si(001) terminated with hydrogen (H), [1] germanium (Ge), Ge and H, [2] boron (B) and B and H. [3] Each adsorbate (combination) alters SHG uniquely. Our microscopic theories based on ab initio pseudopotential or semi-empirical tight-binding (SETB) methods then explain observed trends, and predict new features in unexplored spectral regions. [3,4] Charge transfer among surface bonds is found to govern SHG spectroscopy of surface-adsorbate systems strongly. New results on SHG from Si nanocrystals embedded in SiO2 will also be presented. [5] SHG is sensitive to Si/SiO2 interface states, electrostatic charge on the nanocrystals, and macroscopic particle density gradients. Finally, a new frequency-domain interferometric second-harmonic (FDISH) spectroscopic technique to measure simultaneously the intensity and phase of SH radiation over a broad spectral range without laser tuning will be described. [6] 1. J. Dadap et al., Phys. Rev. B 56, 13367 (1997). 2. P. Parkinson et al., Appl. Phys. B 68, 641 (1999). 3. D. Lim et al., Phys. Rev. Lett. 84, 3406 (2000); Appl. Phys. Lett. 77, 181 (2000). 4. V. Gavrilenko et al., Phys. Rev. B 63, 1653 (2001); M. C. Downer et al., Surf. Interface Anal. 31, 966 (2001); M. C. Downer et al., phys. stat. sol. (a), in press (2001). 5. Y. Jiang et al., Appl. Phys. Lett. 78, 766 (2001). 6. P. T. Wilson et al., Opt. Lett. 24, 496 (1999).

Interfacial free energy of the NaCl crystal-melt interface from capillary wave fluctuations.

PubMed

Benet, Jorge; MacDowell, Luis G; Sanz, Eduardo

2015-04-07

In this work we study, by means of molecular dynamics simulations, the solid-liquid interface of NaCl under coexistence conditions. By analysing capillary waves, we obtain the stiffness for different orientations of the solid and calculate the interfacial free energy by expanding the dependency of the interfacial free energy with the solid orientation in terms of cubic harmonics. We obtain an average value for the solid-fluid interfacial free energy of 89 ± 6 mN m(-1) that is consistent with previous results based on the measure of nucleation free energy barriers [Valeriani et al., J. Chem. Phys. 122, 194501 (2005)]. We analyse the influence of the simulation setup on interfacial properties and find that facets prepared as an elongated rectangular stripe give the same results as those prepared as squares for all cases but the 111 face. For some crystal orientations, we observe at small wave-vectors a behaviour not consistent with capillary wave theory and show that this behavior does not depend on the simulation setup.

Influence of anionic substitution on the electrolyte electroreflectance study of band edge transitions in single crystal Cu2ZnSn(SxSe1-x)4 solid solutions

NASA Astrophysics Data System (ADS)

Levcenco, S.; Dumcenco, D.; Wang, Y. P.; Huang, Y. S.; Ho, C. H.; Arushanov, E.; Tezlevan, V.; Tiong, K. K.

2012-06-01

Single crystals of Cu2ZnSn(SxSe1-x)4 (CZTSSe) solid solutions were grown by chemical vapor transport technique using iodine trichloride as a transport agent. As confirmed by X-ray investigations, the as-grown CZTSSe solid solutions are single phase and crystallized in kesterite structure. The lattice parameters of CZTSSe were determined and the S contents of the obtained crystals were estimated by Vegard's law. The composition dependent band gaps of CZTSSe solid solutions were studied by electrolyte electroreflectance (EER) measurements at room temperature. From a detailed lineshape fit of the EER spectra, the band gaps of CZTSSe were determined accurately and were found to decrease almost linearly with the increase of Se content, which agreed well with the recent theoretical first-principle calculations by S. Chen, A. Walsh, J.H. Yang, X.G. Gong, L. Sun, P. X. Yang, J.H. Chu, S.H. Wei, Phys. Rev. B 83 (2011) 125201 (5pp).

Metastable Polymeric Nitrogen From N2H2 Alloys

DTIC Science & Technology

2008-12-01

dioxide [Iota et al., 2oo7J and oxygen [MililZer and Hemley, 2006] and rich phase diagrams have been derived for each. However, the r~overy of the... oxygen , may lead to the stabilization of ordered extended molecular solid phases [Vos et aI., 1992; Loubeyre et a!., 1993; Somayazulu et al., 1996...and SlI7.hemechny, M.A., 2007: Structure of quench condensed nl·lz-Nl binary alloys: isotope effect, Low Temp. Phys. 33, 499 - 503. Goncharov, A.F

Communication: Hypothetical ultralow-density ice polymorphs

NASA Astrophysics Data System (ADS)

Matsui, Takahiro; Hirata, Masanori; Yagasaki, Takuma; Matsumoto, Masakazu; Tanaka, Hideki

2017-09-01

More than 300 kinds of porous ice structures derived from zeolite frameworks and space fullerenes are examined using classical molecular dynamics simulations. It is found that a hypothetical zeolitic ice phase is less dense and more stable than the sparse ice structures reported by Huang et al. [Chem. Phys. Lett. 671, 186 (2017)]. In association with the zeolitic ice structure, even less dense structures, "aeroices," are proposed. It is found that aeroices are the most stable solid phases of water near the absolute zero temperature under negative pressure.

Casting of Halide and Fluoride Alloys for Laser Windows

DTIC Science & Technology

1974-07-15

mechanism leads to an inverse square root dependence of fracture strength on grain size. Since CaF2, SrFp and BaFp all exhibit at least microplastic ...flaws or microplasticity is the strength limiting factor is not known. 4.2.2 Solid-solution strengthening 4.2.2. 1 General If fracture in these...Temperature Microplasticity in SrF2 Single Crystals, " J. Appl. Phys. 41_(4) 1871 (1970). 12. T.S. Liu and C.H. Li, " Plasticity of Barium Fluoride

Hybrid Co-deposition of Mixed-Valent Molybdenum-Germanium Oxides (MoxGeyOz): A Route to Tunable Optical Transmission (Postprint)

DTIC Science & Technology

2015-08-05

to increased doping levels in indirect semiconductors [84]. The slope, and magnitude of the transmission curves continue to decrease alongside UL...periodically aluminium- doped zinc oxide thin films, Thin Solid Films 519 (2011) 2280–2286. [2] T. Minami, H. Nanto, S. Takata, Highly conductive and...transparent aluminum doped zinc oxide thin films prepared by RF magnetron sputtering, Jpn. J. Appl. Phys. 23 (1984) L280. [3] T. Minami, Present status of

Theory of Solid Surfaces.

DTIC Science & Technology

1976-05-01

of low—energy e~1ectrons by ti ght—bi ndimg electrons ”. 3. Phys. C 8, 1087—1098. 39. IN CLESF IELD , J . E . and WIKBORG , E. “The van der Waals...very good numerical results. An alternative nt~ erical scheme which holds out promise is by Van der Avoird ’s group at T~ megen, Netherlands , where...with Van der 1~aals interactions between metals and using the experience gained at surfaces to help produc e a more consistent many body potential

Controlling Rayleigh-Taylor Instabilities in Magnetically Driven Solid Metal Shells by Means of a Dynamic Screw Pinch

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

Schmit, P. F.; Velikovich, A. L.; McBride, R. D.

Magnetically driven implosions of solid metal shells are an effective vehicle to compress materials to extreme pressures and densities. Rayleigh-Taylor instabilities (RTI) are ubiquitous, yet typically undesired features in all such experiments where solid materials are rapidly accelerated to high velocities. In cylindrical shells (“liners”), the magnetic field driving the implosion can exacerbate the RTI. Here, we suggest an approach to implode solid metal liners enabling a remarkable reduction in the growth of magnetized RTI (MRTI) by employing a magnetic drive with a tilted, dynamic polarization, forming a dynamic screw pinch. Our calculations, based on a self-consistent analytic framework, demonstratemore » that the cumulative growth of the most deleterious MRTI modes may be reduced by as much as 1 to 2 orders of magnitude. One key application of this technique is to generate increasingly stable, higher-performance implosions of solid metal liners to achieve fusion [M. R. Gomez et al., Phys. Rev. Lett. 113, 155003 (2014)]. Finally, we weigh the potentially dramatic benefits of the solid liner dynamic screw pinch against the experimental tradeoffs required to achieve the desired drive field history and identify promising designs for future experimental and computational studies.« less

Controlling Rayleigh-Taylor Instabilities in Magnetically Driven Solid Metal Shells by Means of a Dynamic Screw Pinch

DOE PAGES

Schmit, P. F.; Velikovich, A. L.; McBride, R. D.; ...

2016-11-11

Magnetically driven implosions of solid metal shells are an effective vehicle to compress materials to extreme pressures and densities. Rayleigh-Taylor instabilities (RTI) are ubiquitous, yet typically undesired features in all such experiments where solid materials are rapidly accelerated to high velocities. In cylindrical shells (“liners”), the magnetic field driving the implosion can exacerbate the RTI. Here, we suggest an approach to implode solid metal liners enabling a remarkable reduction in the growth of magnetized RTI (MRTI) by employing a magnetic drive with a tilted, dynamic polarization, forming a dynamic screw pinch. Our calculations, based on a self-consistent analytic framework, demonstratemore » that the cumulative growth of the most deleterious MRTI modes may be reduced by as much as 1 to 2 orders of magnitude. One key application of this technique is to generate increasingly stable, higher-performance implosions of solid metal liners to achieve fusion [M. R. Gomez et al., Phys. Rev. Lett. 113, 155003 (2014)]. Finally, we weigh the potentially dramatic benefits of the solid liner dynamic screw pinch against the experimental tradeoffs required to achieve the desired drive field history and identify promising designs for future experimental and computational studies.« less

Experimentally superposing two pure states with partial prior knowledge

NASA Astrophysics Data System (ADS)

Li, Keren; Long, Guofei; Katiyar, Hemant; Xin, Tao; Feng, Guanru; Lu, Dawei; Laflamme, Raymond

2017-02-01

Superposition, arguably the most fundamental property of quantum mechanics, lies at the heart of quantum information science. However, how to create the superposition of any two unknown pure states remains as a daunting challenge. Recently, it was proved that such a quantum protocol does not exist if the two input states are completely unknown, whereas a probabilistic protocol is still available with some prior knowledge about the input states [M. Oszmaniec et al., Phys. Rev. Lett. 116, 110403 (2016), 10.1103/PhysRevLett.116.110403]. The knowledge is that both of the two input states have nonzero overlaps with some given referential state. In this work, we experimentally realize the probabilistic protocol of superposing two pure states in a three-qubit nuclear magnetic resonance system. We demonstrate the feasibility of the protocol by preparing a families of input states, and the average fidelity between the prepared state and expected superposition state is over 99%. Moreover, we experimentally illustrate the limitation of the protocol that it is likely to fail or yields very low fidelity, if the nonzero overlaps are approaching zero. Our experimental implementation can be extended to more complex situations and other quantum systems.

Density profile of strongly correlated spherical Yukawa plasmas

NASA Astrophysics Data System (ADS)

Bonitz, M.; Henning, C.; Ludwig, P.; Golubnychiy, V.; Baumgartner, H.; Piel, A.; Block, D.

2006-10-01

Recently the discovery of 3D-dust crystals [1] excited intensive experimental and theoretical activities [2-4]. Details of the shell structure of these crystals has been very well explained theoretically by a simple model involving an isotropic Yukawa-type pair repulsion and an external harmonic confinement potential [4]. On the other hand, it has remained an open question how the average radial density profile, looks like. We show that screening has a dramatic effect on the density profile, which we derive analytically for the ground state. Interestingly, the result applies not only to a continuous plasma distribution but also to simulation data for the Coulomb crystals exhibiting the above mentioned shell structure. Furthermore, excellent agreement between the continuum model and shell models is found [5]. [1] O. Arp, D. Block, A. Piel, and A. Melzer, Phys. Rev. Lett. 93, 165004 (2004). [2] H. Totsuji, C. Totsuji, T. Ogawa, and K. Tsuruta, Phys. Rev. E 71, 045401 (2005) [3] P. Ludwig, S. Kosse, and M. Bonitz, Phys. Rev. E 71, 046403 (2005) [4] M. Bonitz, D. Block, O. Arp, V. Golubnychiy, H. Baumgartner, P. Ludwig, A. Piel, and A. Filinov, Phys. Rev. Lett. 96, 075001 (2006) [5] C. Henning, M. Bonitz, A. Piel, P. Ludwig, H. Baumgartner, V. Golubnichiy, and D. Block, submitted to Phys. Rev. E

Reaction rate theory: What it was, where is it today, and where is it going?

NASA Astrophysics Data System (ADS)

Pollak, Eli; Talkner, Peter

2005-06-01

A brief history is presented, outlining the development of rate theory during the past century. Starting from Arrhenius [Z. Phys. Chem. 4, 226 (1889)], we follow especially the formulation of transition state theory by Wigner [Z. Phys. Chem. Abt. B 19, 203 (1932)] and Eyring [J. Chem. Phys. 3, 107 (1935)]. Transition state theory (TST) made it possible to obtain quick estimates for reaction rates for a broad variety of processes even during the days when sophisticated computers were not available. Arrhenius' suggestion that a transition state exists which is intermediate between reactants and products was central to the development of rate theory. Although Wigner gave an abstract definition of the transition state as a surface of minimal unidirectional flux, it took almost half of a century until the transition state was precisely defined by Pechukas [Dynamics of Molecular Collisions B, edited by W. H. Miller (Plenum, New York, 1976)], but even this only in the realm of classical mechanics. Eyring, considered by many to be the father of TST, never resolved the question as to the definition of the activation energy for which Arrhenius became famous. In 1978, Chandler [J. Chem. Phys. 68, 2959 (1978)] finally showed that especially when considering condensed phases, the activation energy is a free energy, it is the barrier height in the potential of mean force felt by the reacting system. Parallel to the development of rate theory in the chemistry community, Kramers published in 1940 [Physica (Amsterdam) 7, 284 (1940)] a seminal paper on the relation between Einstein's theory of Brownian motion [Einstein, Ann. Phys. 17, 549 (1905)] and rate theory. Kramers' paper provided a solution for the effect of friction on reaction rates but left us also with some challenges. He could not derive a uniform expression for the rate, valid for all values of the friction coefficient, known as the Kramers turnover problem. He also did not establish the connection between his approach and the TST developed by the chemistry community. For many years, Kramers' theory was considered as providing a dynamic correction to the thermodynamic TST. Both of these questions were resolved in the 1980s when Pollak [J. Chem. Phys. 85, 865 (1986)] showed that Kramers' expression in the moderate to strong friction regime could be derived from TST, provided that the bath, which is the source of the friction, is handled at the same level as the system which is observed. This then led to the Mel'nikov-Pollak-Grabert-Hänggi [Mel'nikov and Meshkov, J. Chem. Phys. 85, 1018 (1986); Pollak, Grabert, and Hänggi, J. Chem. Phys. 91, 4073 (1989)] solution of the turnover problem posed by Kramers. Although classical rate theory reached a high level of maturity, its quantum analog leaves the theorist with serious challenges to this very day. As noted by Wigner [Trans. Faraday Soc. 34, 29 (1938)], TST is an inherently classical theory. A definite quantum TST has not been formulated to date although some very useful approximate quantum rate theories have been invented. The successes and challenges facing quantum rate theory are outlined. An open problem which is being investigated intensively is rate theory away from equilibrium. TST is no longer valid and cannot even serve as a conceptual guide for understanding the critical factors which determine rates away from equilibrium. The nonequilibrium quantum theory is even less well developed than the classical, and suffers from the fact that even today, we do not know how to solve the real time quantum dynamics for systems with "many" degrees of freedom.

Structural and dynamic properties of liquid tin from a new modified embedded-atom method force field

NASA Astrophysics Data System (ADS)

Vella, Joseph R.; Chen, Mohan; Stillinger, Frank H.; Carter, Emily A.; Debenedetti, Pablo G.; Panagiotopoulos, Athanassios Z.

2017-02-01

A new modified embedded-atom method (MEAM) force field is developed for liquid tin. Starting from the Ravelo and Baskes force field [Phys. Rev. Lett. 79, 2482 (1997), 10.1103/PhysRevLett.79.2482], the parameters are adjusted using a simulated annealing optimization procedure in order to obtain better agreement with liquid-phase data. The predictive capabilities of the new model and the Ravelo and Baskes force field are evaluated using molecular dynamics by comparing to a wide range of first-principles and experimental data. The quantities studied include crystal properties (cohesive energy, bulk modulus, equilibrium density, and lattice constant of various crystal structures), melting temperature, liquid structure, liquid density, self-diffusivity, viscosity, and vapor-liquid surface tension. It is shown that although the Ravelo and Baskes force field generally gives better agreement with the properties related to the solid phases of tin, the new MEAM force field gives better agreement with liquid tin properties.

Energetic metastable high-pressure phases of CO

NASA Astrophysics Data System (ADS)

Barbee, Troy W., III

1996-03-01

First-row elements present some of the best possibilities for storing chemical energy in metastable structures because of their strong bonding and light mass. Recent calculations have predicted(Mailhiot, Yang, and McMahan, Phys. Rev. B 46), 14419 (1992). that under pressure, molecular nitrogen should undergo a transition to a polymeric structure which should be metastable and energetic at ambient pressure. Because carbon monoxide is isoelectronic to N_2, the phase diagram of CO is quite similar to that of nitrogen. Observations of chemical reactions in solid CO under pressure have been made,(Katz, Schiferl, and Mills, J. Phys. Chem. 88), 3176 (1984). and the products (C_3O_2) have been recovered at ambient pressure. I will present calculations of the high-pressure stability and metastability for several candidate structures for CO at high pressure, as well as the energy stored in the metastable C_3O2 at ambient pressure. This work was performed under the auspices of the U.S. DOE by LLNL under contract No. W--7405--ENG--48.

Alignment and pulse-duration effects in two-photon double ionization of H2 by femtosecond XUV laser pulses

NASA Astrophysics Data System (ADS)

Guan, Xiaoxu; Bartschat, Klaus; Schneider, Barry I.; Koesterke, Lars

2014-10-01

We present calculations for the dependence of the two-photon double ionization (DI) of H2 on the relative orientation of the linear laser polarization to the internuclear axis and the length of the pulse. We use the fixed-nuclei approximation at the equilibrium distance of 1.4 a0, where a0=0.529 ×10-10m is the Bohr radius. Central photon energies cover the entire direct DI domain from 26.5 to 34.0 eV. In contrast to the parallel geometry studied earlier [X. Guan, K. Bartschat, B. I. Schneider, and L. Koesterke, Phys. Rev. A 83, 043403 (2011), 10.1103/PhysRevA.83.043403], the effect of the pulse duration is almost negligible for the case when the two axes are perpendicular to each other. This is a consequence of the symmetry rules for dipole excitation in the two cases. In the parallel geometry, doubly excited states of 1Σu+ symmetry affect the cross section, while in the perpendicular geometry only much longer-lived 1Πu states are present. This accounts for the different convergence patterns observed in the calculated cross sections as a function of the pulse length. When the photon energy approaches the threshold of sequential DI, a sharp increase of the generalized total cross section (GTCS) with increasing pulse duration is also observed in the perpendicular geometry, very similar to the case of the molecular axis being oriented along the laser polarization direction. Our results differ from those of Colgan et al. [J. Colgan, M. S. Pindzola, and F. Robicheaux, J. Phys. B 41, 121002 (2008), 10.1088/0953-4075/41/12/121002] and Morales et al. [F. Morales, F. Martín, D. A. Horner, T. N. Rescigno, and C. W. McCurdy, J. Phys. B 42, 134013 (2009), 10.1088/0953-4075/42/13/134013], but are in excellent agreement with the GTCSs of Simonsen et al. [A. S. Simonsen, S. A. Sørngård, R. Nepstad, and M. Førre, Phys. Rev. A 85, 063404 (2012), 10.1103/PhysRevA.85.063404] over the entire domain of direct DI.

Precision Measurement of the Rovibrational Energy-Level Structure of ^{4}He^{+}_{2}

NASA Astrophysics Data System (ADS)

Semeria, Luca; Jansen, Paul; Agner, Josef A.; Schmutz, Hansjürg; Merkt, Frederic

2017-06-01

He_{2}^{+} is a three-electron system for which highly accurate ab initio calculations are possible. The latest calculations of the rovibrational energies of He_{2}^{+} by Tung et al. have a reported accuracy of 120 MHz, although they do not include relativistic and quantum electrodynamics (QED) effects. We determined the rovibrational structure of ^{4}He^{+}_{2} from measurements of the Rydberg spectrum of metastable a ^3Σ_u^+ He_{2} (He^{*}_{2} hereafter) and Rydberg-series extrapolation using multichannel quantum-defect-theory. He^{*}_{2} molecules are produced in supersonic beams with velocities tunable down to about 100 m/s by combining a cryogenic supersonic-beam source with a multistage Zeeman decelerator. They are then excited to high-np Rydberg states by single-photon excitation. In the experiments, we use a pulsed uv laser system, with a near Fourier-transform-limited bandwidth of 150 MHz. The Zeeman deceleration reduces the systematic uncertainty arising from a possible Doppler shift and greatly simplifies the spectral assignment because of its spin-rotational state selectivity. Results will be presented on the rotational structure of the lowest three vibrational levels of He^{+}_{2}. The unprecedented accuracy that we have obtained for the v^{+}=0 rotational intervals of He_{2}^{+} enables the quantification of the relativistic and QED corrections by comparison with the results of Tung et al.^a W.-C. Tung, M. Pavanello and L. Adamowicz, J. Chem. Phys., 136, 104309, 2012. C. Jungen, Elements of Quantum Defect Theory, in : Handbook of High-resolution Spectroscopy, 2001. D. Sprecher, J. Liu, T. Krähenmann, M. Schäfer, and F. Merkt, J. Chem. Phys., 140, 064304, 2014. A. W. Wiederkehr, S. D. Hogan, M. Andrist, H. Schmutz, B. Lambillotte, J. A. Agner, and F. Merkt., J. Chem. Phys., 135, 214202, 2011. M. Motsch, P. Jansen, J. A. Agner, H. Schmutz, and F. Merkt, Phys. Rev. A, 89, 043420, 2014. P. Jansen, L. Semeria, L. E. Hofer, S. Scheidegger, J. A. Agner, H. Schmutz, and F. Merkt. Phys. Rev. Lett., 115, 133202, 2015. L. Semeria, P. Jansen and F. Merkt, J. Chem. Phys., 145, 204301, 2016.

A Solution Space for a System of Null-State Partial Differential Equations: Part 3

NASA Astrophysics Data System (ADS)

Flores, Steven M.; Kleban, Peter

2015-01-01

This article is the third of four that completely and rigorously characterize a solution space for a homogeneous system of 2 N + 3 linear partial differential equations (PDEs) in 2 N variables that arises in conformal field theory (CFT) and multiple Schramm-Löwner evolution (SLE κ ). The system comprises 2 N null-state equations and three conformal Ward identities that govern CFT correlation functions of 2 N one-leg boundary operators. In the first two articles (Flores and Kleban, in Commun Math Phys, arXiv:1212.2301, 2012; Commun Math Phys, arXiv:1404.0035, 2014), we use methods of analysis and linear algebra to prove that dim , with C N the Nth Catalan number. Extending these results, we prove in this article that dim and entirely consists of (real-valued) solutions constructed with the CFT Coulomb gas (contour integral) formalism. In order to prove this claim, we show that a certain set of C N such solutions is linearly independent. Because the formulas for these solutions are complicated, we prove linear independence indirectly. We use the linear injective map of Lemma 15 in Flores and Kleban (Commun Math Phys, arXiv:1212.2301, 2012) to send each solution of the mentioned set to a vector in , whose components we find as inner products of elements in a Temperley-Lieb algebra. We gather these vectors together as columns of a symmetric matrix, with the form of a meander matrix. If the determinant of this matrix does not vanish, then the set of C N Coulomb gas solutions is linearly independent. And if this determinant does vanish, then we construct an alternative set of C N Coulomb gas solutions and follow a similar procedure to show that this set is linearly independent. The latter situation is closely related to CFT minimal models. We emphasize that, although the system of PDEs arises in CFT in away that is typically non-rigorous, our treatment of this system here and in Flores and Kleban (Commun Math Phys, arXiv:1212.2301, 2012; Commun Math Phys, arXiv:1404.0035, 2014; Commun Math Phys, arXiv:1405.2747, 2014) is completely rigorous.

Accurate treatment of total photoabsorption cross sections by an ab initio time-dependent method

NASA Astrophysics Data System (ADS)

Daud, Mohammad Noh

2014-09-01

A detailed discussion of parallel and perpendicular transitions required for the photoabsorption of a molecule is presented within a time-dependent view. Total photoabsorption cross sections for the first two ultraviolet absorption bands of the N2O molecule corresponding to transitions from the X1 A' state to the 21 A' and 11 A'' states are calculated to test the reliability of the method. By fully considering the property of the electric field polarization vector of the incident light, the method treats the coupling of angular momentum and the parity differently for two kinds of transitions depending on the direction of the vector whether it is: (a) situated parallel in a molecular plane for an electronic transition between states with the same symmetry; (b) situated perpendicular to a molecular plane for an electronic transition between states with different symmetry. Through this, for those transitions, we are able to offer an insightful picture of the dynamics involved and to characterize some new aspects in the photoabsorption process of N2O. Our calculations predicted that the parallel transition to the 21 A' state is the major dissociation pathway which is in qualitative agreement with the experimental observations. Most importantly, a significant improvement in the absolute value of the total cross section over previous theoretical results [R. Schinke, J. Chem. Phys. 134, 064313 (2011), M.N. Daud, G.G. Balint-Kurti, A. Brown, J. Chem. Phys. 122, 054305 (2005), S. Nanbu, M.S. Johnson, J. Phys. Chem. A 108, 8905 (2004)] was obtained.

An Improved Arbitrated Quantum Scheme with Bell States

NASA Astrophysics Data System (ADS)

Zhang, Yingying; Zeng, Jiwen

2018-04-01

In 2014, Liu et al. (In. J. Thero. phys. 53(5); 1569-1579. 2014) proposed an arbitrated quantum signature scheme (Liu'14) with Bell states by utilizing a new quantum one-time pad algorithm. It claimed that it can resist the receiver's existential forgery attack and no party has chances to change the message and its signature without being discovered. Recently, Xu and Zou (In. J. Thero. phys. 55; 4142-4156. 2016) analyzed above scheme and demonstrated that it can't resist the signer's disavowal and the receiver's existential forgery. But, the authors didn't give a method to solve it. In this paper, we will give an improved arbitrated quantum signature scheme to make up the loopholes in Liu'14.

Laser cooling of 85Rb atoms to the recoil-temperature limit

NASA Astrophysics Data System (ADS)

Huang, Chang; Kuan, Pei-Chen; Lan, Shau-Yu

2018-02-01

We demonstrate the laser cooling of 85Rb atoms in a two-dimensional optical lattice. We follow the two-step degenerate Raman sideband cooling scheme [Kerman et al., Phys. Rev. Lett. 84, 439 (2000), 10.1103/PhysRevLett.84.439], where a fast cooling of atoms to an auxiliary state is followed by a slow cooling to a dark state. This method has the advantage of independent control of the heating rate and cooling rate from the optical pumping beam. We operate the lattice at a Lamb-Dicke parameter η =0.45 and show the cooling of spin-polarized 85Rb atoms to the recoil temperature in both dimensions within 2.4 ms with the aid of adiabatic cooling.

Macrorealism from entropic Leggett-Garg inequalities

NASA Astrophysics Data System (ADS)

Devi, A. R. Usha; Karthik, H. S.; Sudha; Rajagopal, A. K.

2013-05-01

We formulate entropic Leggett-Garg inequalities, which place constraints on the statistical outcomes of temporal correlations of observables. The information theoretic inequalities are satisfied if macrorealism holds. We show that the quantum statistics underlying correlations between time-separated spin component of a quantum rotor mimics that of spin correlations in two spatially separated spin-s particles sharing a state of zero total spin. This brings forth the violation of the entropic Leggett-Garg inequality by a rotating quantum spin-s system in a similar manner as does the entropic Bell inequality [S. L. Braunstein and C. M. Caves, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.61.662 61, 662 (1988)] by a pair of spin-s particles forming a composite spin singlet state.

Editorial

NASA Astrophysics Data System (ADS)

2003-06-01

In December 2002 we announced some changes to Journal of Physics B: Atomic, Molecular and Optical Physics: an extended scope to highlight the wide range of articles published in the journal and a new definition of Letters to the Editor. As always, comments and suggestions are welcome and should be sent to jphysb@iop.org. Extended scope of J. Phys. B J. Phys. B covers all aspects of atomic, molecular and optical physics. We publish articles on the study of atoms, ions, molecules, condensates or clusters, from their structure and interactions with particles, photons, fields and surfaces to all aspects of spectroscopy. Quantum optics, non-linear optics, laser physics, astrophysics, plasma physics, chemical physics, optical cooling and trapping and other investigations where the objects of study are the elementary atomic, ionic or molecular properties of processes are also included. With the introduction of the BEC Matters! portal and IOP Select, J. Phys. B, one of the major contributors, offers authors of articles in this research area wider visibility and more flexible publication with the opportunity to display multimedia attachments or web links to key groups and results. The recent papers listed below reflect the wide scope of J. Phys. B: Calculation of cross sections for very low-energy hydrogen-antihydrogen scattering using the Kohn variational method E A G Armour and C W Chamberlain J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 22 (28 November 2002) L489-L494 Imaging the electron transfer reaction of Ne2+ with Ar using position-sensitive coincidence spectroscopy Sarah M Harper, Wan-Ping Hu and Stephen D Price J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 21 (14 November 2002) 4409-4423 Ultraviolet-infrared wavelength scalings for strong field induced L-shell emissions from Kr and Xe clusters Alex B Borisov, Xiangyang Song, Fabrizio Frigeni, Yang Dai, Yevgeniya Koshman, W Andreas Schroeder, Jack Davis, Keith Boyer and Charles K Rhodes J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 21 (14 November 2002) L461-L467 A Bose-Einstein condensate in an optical lattice J Hecker Denschlag, J E Simsarian, H Häffner, C McKenzie, A Browaeys, D Cho, K Helmerson, S L Rolston and W D Phillips J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 14 (28 July 2002) 3095-3110 Locality of a class of entangled states I R Senitzky J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 14 (28 July 2002) 3029-3039 Solitons and vortices in ultracold fermionic gases Tomasz Karpiuk, Miroslaw Brewczyk and Kazimierz Rzazewski J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 14 (28 July 2002) L315-L321 Stable islands in chaotic atom-optics billiards, caused by curved trajectories M F Andersen, A Kaplan, N Friedman and N Davidson J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 9 (14 May 2002) 2183-2190 Emission probability and photon statistics of a coherently driven mazer Jin Xiong and Zhi-Ming Zhang J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 9 (14 May 2002) 2159-2172 The Li+-H2 system in a rigid-rotor approximation: potential energy surface and transport coefficients I Røeggen, H R Skullerud, T H Løvaas and D K Dysthe J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 7 (14 April 2002) 1707-1725 The stochastic Gross-Pitaevskii equation C W Gardiner, J R Anglin and T I A Fudge J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 6 (28 March 2002) 1555-1582 Oxygen ion impurity in the TEXTOR tokamak boundary plasma observed and analysed by Zeeman spectroscopy J D Hey, C C Chu, S Brezinsek, Ph Mertens and B Unterberg J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 6 (28 March 2002) 1525-1553 Electron-hexafluoropropene (C3F6) scattering at intermediate energies Czeslaw Szmytkowski, Pawel Mozejko and Stanislaw Kwitnewski J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 5 (14 March 2002) 1267-1274 High-resolution investigations of C2 and CN optical emissions in laser-induced plasmas during graphite ablation S Acquaviva and M L De Giorgi J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 4 (28 February 2002) 795-806 New definition of a Letter to the Editor A Letter to the Editor should present new results, likely to stimulate further research and be of interest to the wider atomic, molecular and optical physics community. Above all the results should be sufficiently new and important to merit rapid publication as a Letter, which implies accelerated refereeing procedures. This should be made clear either in the body of the Letter, if appropriate, or with a supporting cover letter from the author on submission to the journal. Letters will have an upper limit of eight journal pages and, as an additional quality check, two referees instead of one will be used to review them. The Board will be asked to make a final publication decision in the event of two conflicting reports. With these measures in place it is hoped that the important new results will receive the exposure they deserve as a Letter. If you have any questions or comments on this or anything relating to J. Phys. B please contact Nicola Gulley, Publisher, J. Phys. B (E-mail: jphysb@iop.org).

Linear-response time-dependent density-functional theory with pairing fields.

PubMed

Peng, Degao; van Aggelen, Helen; Yang, Yang; Yang, Weitao

2014-05-14

Recent development in particle-particle random phase approximation (pp-RPA) broadens the perspective on ground state correlation energies [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013), Y. Yang, H. van Aggelen, S. N. Steinmann, D. Peng, and W. Yang, J. Chem. Phys. 139, 174110 (2013); D. Peng, S. N. Steinmann, H. van Aggelen, and W. Yang, J. Chem. Phys. 139, 104112 (2013)] and N ± 2 excitation energies [Y. Yang, H. van Aggelen, and W. Yang, J. Chem. Phys. 139, 224105 (2013)]. So far Hartree-Fock and approximated density-functional orbitals have been utilized to evaluate the pp-RPA equation. In this paper, to further explore the fundamentals and the potential use of pairing matrix dependent functionals, we present the linear-response time-dependent density-functional theory with pairing fields with both adiabatic and frequency-dependent kernels. This theory is related to the density-functional theory and time-dependent density-functional theory for superconductors, but is applied to normal non-superconducting systems for our purpose. Due to the lack of the proof of the one-to-one mapping between the pairing matrix and the pairing field for time-dependent systems, the linear-response theory is established based on the representability assumption of the pairing matrix. The linear response theory justifies the use of approximated density-functionals in the pp-RPA equation. This work sets the fundamentals for future density-functional development to enhance the description of ground state correlation energies and N ± 2 excitation energies.

Svetlichny's inequality and genuine tripartite nonlocality in three-qubit pure states

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

Ajoy, Ashok; NMR Research Centre, Indian Institute of Science, Bangalore 560012; Rungta, Pranaw

2010-05-15

The violation of the Svetlichny's inequality (SI) [Phys. Rev. D 35, 3066 (1987)] is sufficient but not necessary for genuine tripartite nonlocal correlations. Here we quantify the relationship between tripartite entanglement and the maximum expectation value of the Svetlichny operator (which is bounded from above by the inequality) for the two inequivalent subclasses of pure three-qubit states: the Greenberger-Horne-Zeilinger (GHZ) class and the W class. We show that the maximum for the GHZ-class states reduces to Mermin's inequality [Phys. Rev. Lett. 65, 1838 (1990)] modulo a constant factor, and although it is a function of the three tangle and themore » residual concurrence, large numbers of states do not violate the inequality. We further show that by design SI is more suitable as a measure of genuine tripartite nonlocality between the three qubits in the W-class states, and the maximum is a certain function of the bipartite entanglement (the concurrence) of the three reduced states, and only when their sum attains a certain threshold value do they violate the inequality.« less

Guiding of relativistic electron beams in solid targets by resistively controlled magnetic fields.

PubMed

Kar, S; Robinson, A P L; Carroll, D C; Lundh, O; Markey, K; McKenna, P; Norreys, P; Zepf, M

2009-02-06

Guided transport of a relativistic electron beam in solid is achieved experimentally by exploiting the strong magnetic fields created at the interface of two metals of different electrical resistivities. This is of substantial relevance to the Fast Ignitor approach to fusion energy production [M. Tabak, Phys. Plasmas 12, 057305 (2005)10.1063/1.1871246], since it allows the electron deposition to be spatially tailored-thus adding substantial design flexibility and preventing inefficiencies due to electron beam spreading. In the experiment, optical transition radiation and thermal emission from the target rear surface provide a clear signature of the electron confinement within a high resistivity tin layer sandwiched transversely between two low resistivity aluminum slabs. The experimental data are found to agree well with numerical simulations.

Real-time ab initio simulations of excited-state dynamics in nanostructures

NASA Astrophysics Data System (ADS)

Tomanek, David

2007-03-01

Combining time-dependent ab initio density functional calculations for electrons with molecular dynamics simulations for ions, we investigate the effect of excited-state dynamics in nanostructures. In carbon nanotubes, we find electronic excitations to last for a large fraction of a picosecond. The de-excitation process is dominated by coupling to other electronic degrees of freedom during the first few hundred femtoseconds. Later, the de-excitation process becomes dominated by coupling to ionic motion. The onset point and damping rate in that regime change with initial ion velocities, a manifestation of temperature dependent electron-phonon coupling. Considering the fact that the force field in the electronically excited state differs significantly from the ground state, as reflected in the Franck-Condon effect, atomic bonds can easily be broken or restored during the relatively long lifetime of electronic excitations. This effect can be utilized in a ``photo-surgery" of nanotubes, causing structural self-healing at vacancy sites or selective de-oxidation processes induced by photo-absorption. Also, electronic excitations are a key ingredient for the understanding of sputtering processes in nanostructures, induced by energetic collisions with ions. Yoshiyuki Miyamoto, Angel Rubio, and David Tomanek, Phys. Rev. Lett. 97, 126104 (2006). Yoshiyuki Miyamoto, Savas Berber, Mina Yoon, Angel Rubio, and David Tomanek, Chem. Phys. Lett. 392, 209 (2004). Yoshiyuki Miyamoto, Noboru Jinbo, Hisashi Nakamura, Angel Rubio, and David Tomanek, Phys. Rev. B 70, 233408 (2004). Yoshiyuki Miyamoto, Arkady Krasheninnikov, and David Tomanek (in preparation).

Norm overlap between many-body states: Uncorrelated overlap between arbitrary Bogoliubov product states

NASA Astrophysics Data System (ADS)

Bally, B.; Duguet, T.

2018-02-01

Background: State-of-the-art multi-reference energy density functional calculations require the computation of norm overlaps between different Bogoliubov quasiparticle many-body states. It is only recently that the efficient and unambiguous calculation of such norm kernels has become available under the form of Pfaffians [L. M. Robledo, Phys. Rev. C 79, 021302 (2009), 10.1103/PhysRevC.79.021302]. Recently developed particle-number-restored Bogoliubov coupled-cluster (PNR-BCC) and particle-number-restored Bogoliubov many-body perturbation (PNR-BMBPT) ab initio theories [T. Duguet and A. Signoracci, J. Phys. G 44, 015103 (2017), 10.1088/0954-3899/44/1/015103] make use of generalized norm kernels incorporating explicit many-body correlations. In PNR-BCC and PNR-BMBPT, the Bogoliubov states involved in the norm kernels differ specifically via a global gauge rotation. Purpose: The goal of this work is threefold. We wish (i) to propose and implement an alternative to the Pfaffian method to compute unambiguously the norm overlap between arbitrary Bogoliubov quasiparticle states, (ii) to extend the first point to explicitly correlated norm kernels, and (iii) to scrutinize the analytical content of the correlated norm kernels employed in PNR-BMBPT. Point (i) constitutes the purpose of the present paper while points (ii) and (iii) are addressed in a forthcoming paper. Methods: We generalize the method used in another work [T. Duguet and A. Signoracci, J. Phys. G 44, 015103 (2017), 10.1088/0954-3899/44/1/015103] in such a way that it is applicable to kernels involving arbitrary pairs of Bogoliubov states. The formalism is presently explicated in detail in the case of the uncorrelated overlap between arbitrary Bogoliubov states. The power of the method is numerically illustrated and benchmarked against known results on the basis of toy models of increasing complexity. Results: The norm overlap between arbitrary Bogoliubov product states is obtained under a closed-form expression allowing its computation without any phase ambiguity. The formula is physically intuitive, accurate, and versatile. It equally applies to norm overlaps between Bogoliubov states of even or odd number parity. Numerical applications illustrate these features and provide a transparent representation of the content of the norm overlaps. Conclusions: The complex norm overlap between arbitrary Bogoliubov states is computed, without any phase ambiguity, via elementary linear algebra operations. The method can be used in any configuration mixing of orthogonal and non-orthogonal product states. Furthermore, the closed-form expression extends naturally to correlated overlaps at play in PNR-BCC and PNR-BMBPT. As such, the straight overlap between Bogoliubov states is the zero-order reduction of more involved norm kernels to be studied in a forthcoming paper.

Franck-Condon simulation of the single-vibronic-level emission spectra of HPCl/DPCl and the chemiluminescence spectrum of HPCl, including anharmonicity.

PubMed

Chau, Foo-Tim; Mok, Daniel K W; Lee, Edmond P F; Dyke, John M

2004-07-22

Restricted-spin coupled-cluster single-double plus perturbative triple excitation [RCCSD(T)] potential energy functions (PEFs) were calculated for the X (2)A" and A (2)A' states of HPCl employing the augmented correlation-consistent polarized-valence-quadruple-zeta (aug-cc-pVQZ) basis set. Further geometry optimization calculations were carried out on both electronic states of HPCl at the RCCSD(T) level with all electron and quasirelativistic effective core potential basis sets of better than the aug-cc-pVQZ quality, and also including some core electrons, in order to obtain more reliable geometrical parameters and relative electronic energy of the two states. Anharmonic vibrational wave functions of the two states of HPCl and DPCl, and Franck-Condon (FC) factors of the A (2)A'-X (2)A" transition were computed employing the RCCSD(T)/aug-cc-pVQZ PEFs. Calculated FC factors with allowance for Duschinsky rotation and anharmonicity were used to simulate the single-vibronic-level (SVL) emission spectra of HPCl and DPCl reported by Brandon et al. [J. Chem. Phys. 119, 2037 (2003)] and the chemiluminescence spectrum reported by Bramwell et al. [Chem. Phys. Lett. 331, 483 (2000)]. Comparison between simulated and observed SVL emission spectra gives the experimentally derived equilibrium geometry of the A (2)A' state of HPCl of r(e)(PCl) = 2.0035 +/- 0.0015 A, theta(e) = 116.08 +/- 0.60 degrees, and r(e)(HP) = 1.4063+/-0.0015 A via the iterative Franck-Condon analysis procedure. Comparison between simulated and observed chemiluminescence spectra confirms that the vibrational population distribution of the A (2)A' state of HPCl is non-Boltzmann, as proposed by Baraille et al. [Chem. Phys. 289, 263 (2003)].

Accuracy of the microcanonical Lanczos method to compute real-frequency dynamical spectral functions of quantum models at finite temperatures.

PubMed

Okamoto, Satoshi; Alvarez, Gonzalo; Dagotto, Elbio; Tohyama, Takami

2018-04-01

We examine the accuracy of the microcanonical Lanczos method (MCLM) developed by Long et al. [Phys. Rev. B 68, 235106 (2003)PRBMDO0163-182910.1103/PhysRevB.68.235106] to compute dynamical spectral functions of interacting quantum models at finite temperatures. The MCLM is based on the microcanonical ensemble, which becomes exact in the thermodynamic limit. To apply the microcanonical ensemble at a fixed temperature, one has to find energy eigenstates with the energy eigenvalue corresponding to the internal energy in the canonical ensemble. Here, we propose to use thermal pure quantum state methods by Sugiura and Shimizu [Phys. Rev. Lett. 111, 010401 (2013)PRLTAO0031-900710.1103/PhysRevLett.111.010401] to obtain the internal energy. After obtaining the energy eigenstates using the Lanczos diagonalization method, dynamical quantities are computed via a continued fraction expansion, a standard procedure for Lanczos-based numerical methods. Using one-dimensional antiferromagnetic Heisenberg chains with S=1/2, we demonstrate that the proposed procedure is reasonably accurate, even for relatively small systems.

Accuracy of the microcanonical Lanczos method to compute real-frequency dynamical spectral functions of quantum models at finite temperatures

NASA Astrophysics Data System (ADS)

Okamoto, Satoshi; Alvarez, Gonzalo; Dagotto, Elbio; Tohyama, Takami

2018-04-01

We examine the accuracy of the microcanonical Lanczos method (MCLM) developed by Long et al. [Phys. Rev. B 68, 235106 (2003), 10.1103/PhysRevB.68.235106] to compute dynamical spectral functions of interacting quantum models at finite temperatures. The MCLM is based on the microcanonical ensemble, which becomes exact in the thermodynamic limit. To apply the microcanonical ensemble at a fixed temperature, one has to find energy eigenstates with the energy eigenvalue corresponding to the internal energy in the canonical ensemble. Here, we propose to use thermal pure quantum state methods by Sugiura and Shimizu [Phys. Rev. Lett. 111, 010401 (2013), 10.1103/PhysRevLett.111.010401] to obtain the internal energy. After obtaining the energy eigenstates using the Lanczos diagonalization method, dynamical quantities are computed via a continued fraction expansion, a standard procedure for Lanczos-based numerical methods. Using one-dimensional antiferromagnetic Heisenberg chains with S =1 /2 , we demonstrate that the proposed procedure is reasonably accurate, even for relatively small systems.

TMD parton distributions based on three-body decay functions in NLL order of QCD

NASA Astrophysics Data System (ADS)

Tanaka, Hidekazu

2015-04-01

Three-body decay functions in space-like parton branches are implemented to evaluate transverse-momentum-dependent (TMD) parton distribution functions in the next-to-leading logarithmic (NLL) order of quantum chromodynamics (QCD). Interference contributions due to the next-to-leading-order terms are taken into account for the evaluation of the transverse momenta in initial state parton radiations. Some properties of the decay functions are also examined. As an example, the calculated results are compared with those evaluated by an algorithm proposed in [M. A. Kimber, A. D. Martin, and M. G. Ryskin, Eur. Phys. J. C 12, 655 (2000)], [M. A. Kimber, A. D. Martin, and M. G. Ryskin, Phys. Rev. D 63, 11402 (2001)], [G. Watt, A. D. Martin, and M. G. Ryskin, Eur. Phys. J. C 31, 73 (2003)], and [A. D. Martin, M. G. Ryskin, and G. Watt, Eur. Phys. J. C 66, 167 (2010)], in which the TMD parton distributions are defined based on the k_t-factorization method with angular ordering conditions due to interference effects.

Thermodynamic Theory of Spherically Trapped Coulomb Clusters

NASA Astrophysics Data System (ADS)

Wrighton, Jeffrey; Dufty, James; Bonitz, Michael; K"{A}Hlert, Hanno

2009-11-01

The radial density profile of a finite number of identical charged particles confined in a harmonic trap is computed over a wide ranges of temperatures (Coulomb coupling) and particle numbers. At low temperatures these systems form a Coulomb crystal with spherical shell structure which has been observed in ultracold trapped ions and in dusty plasmas. The shell structure is readily reproduced in simulations. However, analytical theories which used a mean field approachfootnotetext[1]C. Henning et al., Phys. Rev. E 74, 056403 (2006) or a local density approximationfootnotetext[2]C. Henning et al., Phys. Rev. E 76, 036404 (2007) have, so far, only been able to reproduce the average density profile. Here we present an approach to Coulomb correlations based on the hypernetted chain approximation with additional bridge diagrams. It is demonstrated that this model reproduces the correct shell structure within a few percent and provides the basis for a thermodynamic theory of Coulomb clusters in the strongly coupled fluid state.footnotetext[3]J. Wrighton, J.W. Dufty, H. K"ahlert and M. Bonitz, J. Phys. A 42, 214052 (2009) and Phys. Rev. E (2009) (to be submitted)

The Influence of Noise on Turbulent Transport.

NASA Astrophysics Data System (ADS)

Krommes, J. A.

2006-10-01

Recently there have been considerable discussions and contradictory conclusions about the possible influence of numerical noise on measured turbulent fluxes. In the present work, some of the conceptual and analytical foundations of noise-related calculations are reconsidered, and some paradoxes are resolved. An elementary model involving coupled random processes shows that extra noise (e.g., related to numerical sampling errors in δf particle simulations can reduce total transport. (Intuition to the contrary stems from oversimplified models involving independent, additive, and passive advection velocities.) This result is interpreted in terms of the structure of the steady-state spectral balance equation for turbulence in the presence of discreteness-induced noise. The relationship of the Fluctuation-- Dissipation Theorem to general nonequilibrium statistical balances is also discussed. W. M. Nevins, G. W. Hammett, A. M. Dimits, W. Dorland, and D. E. Shumaker, Phys. Plasmas 12, 122305 (2005) W. W. Lee, Bull. Am. Phys. Soc., http://www.aps.org/meet/APR06, abstr.I16.00004 (2006). G. Hu and J. A. Krommes, Phys. Plasmas 1, 863 (1994).) H. A. Rose, J. Stat.Phys.20, 415 (1979).

PREFACE: Magnonics Magnonics

NASA Astrophysics Data System (ADS)

Kruglyak, V. V.; Demokritov, S. O.; Grundler, D.

2010-07-01

The study of collective spin excitations in magnetically ordered materials (so-called spin waves and the associated quasi-particles—magnons) has a successful history of more than 60 years. Recently, it has re-emerged in a new aspect under the name of magnonics, although the exact definition of its scope is still a subject for debate. However, it is widely accepted that the recent renaissance of interest in spin waves has been driven by three major factors: the rapid advance of nanotechnology, the development of new experimental techniques for studying high-frequency magnetization dynamics and the promise of a new generation of functional magnetic field controlled devices in which spin waves (magnons) would be employed, in particular to carry and process information. Furthermore, the growing interest in man-made 'crystals', such as those already realized in photonics, electronics and plasmonics, has served as a further strong catalyst for the development of so-called magnonic crystals. Magnonics as a research field is currently gaining momentum, attracting more and more researchers from various sub-fields of magnetism, materials science, microwave engineering, and beyond. Hence, it is timely to define the state of the art of this exciting research field emerging at the interface between magnetism and nanoscience. The first magnonics conference, entitled 'Magnonics: From Fundamentals to Applications' was held in Dresden in August 2009, sponsored by the visitor programme of the Max Planck Institute for the Physics of Complex Systems (MPIPKS). The event was a great success, having achieved its main aim of forming a community of magnonics researchers. It brought together both experts who held worldwide leading positions in nanomagnetism and spin wave research, and younger researchers just entering the field. The research results presented ranged from fundamental magnonic properties to their application in information technologies. The main scientific result of the conference in the broader sense was the emergence of magnonics as a sister field in the family of functional nanomaterials that also includes electronics, photonics, phononics, plasmonics etc. The presentations helped to define the state of the art and to highlight perspectives of the field. The conference led to the idea of publishing this cluster of papers aimed at reviewing the history of and the recent progress in magnonics. The cluster begins with a contribution from Kruglyak et al who aim to define the general scope and concepts of magnonics as a research field [1]. Serga et al review the state of the art in studies of spin waves in yttrium iron garnet (YIG) samples, which—due to the exceptionally low magnetic losses—have been the most popular and extensively investigated so far [2]. Gubbiotti et al review their recent experiments in which the magnonic band gap spectrum was observed in planar metallic magnonic crystals with submicrometre periods [3]. Kim demonstrates how numerical simulations can be used to investigate a wide range of magnonic phenomena in truly magnetic nanostructures, which still remains a challenge for modern experiments [4]. Finally, Khitun et al discuss the prospects and challenges for the creation of magnonic logic devices [5]. As with any dynamic research field, the reviews are inevitably incomplete. Nonetheless, we hope that the cluster of papers will stimulate further progress in magnonics and will provide a useful starting point for researchers newly entering this challenging and exciting research field. References [1] Kruglyak V V, Demokritov S O and Grundler J 2010 J. Phys. D: Appl. Phys.43 264001 [2] Serga A A, Chumak A V and Hillebrands B 2010 J. Phys. D: Appl. Phys. 43 264002 [3] Gubbiotti G, Tacchi S, Madami M, Carlotti G, Adeyeye A O and Kostylev M 2010 J. Phys. D: Appl. Phys. 43 264003 [4] Kim S-K 2010 J. Phys. D: Appl. Phys. 43 264004 [5] Khitun A, Bao M and Wang K L 2010 J. Phys. D: Appl. Phys. 43 264005

R matrices of three-state Hamiltonians solvable by coordinate Bethe ansatz

NASA Astrophysics Data System (ADS)

Fonseca, T.; Frappat, L.; Ragoucy, E.

2015-01-01

We review some of the strategies that can be implemented to infer an R-matrix from the knowledge of its Hamiltonian. We apply them to the classification achieved in Crampé, Frappat, and Ragoucy, J. Phys. A 46, 405001 (2013), on three state U(1)-invariant Hamiltonians solvable by coordinate Bethe ansatz, focusing on models for which the S-matrix is not trivial. For the 19-vertex solutions, we recover the R-matrices of the well-known Zamolodchikov-Fateev and Izergin-Korepin models. We point out that the generalized Bariev Hamiltonian is related to both main and special branches studied by Martins in Nucl. Phys. B 874, 243 (2013), that we prove to generate the same Hamiltonian. The 19-vertex SpR model still resists to the analysis, although we are able to state some no-go theorems on its R-matrix. For 17-vertex Hamiltonians, we produce a new R-matrix.

Post-prior equivalence for transfer reactions with complex potentials

NASA Astrophysics Data System (ADS)

Lei, Jin; Moro, Antonio M.

2018-01-01

In this paper, we address the problem of the post-prior equivalence in the calculation of inclusive breakup and transfer cross sections. For that, we employ the model proposed by Ichimura et al. [Phys. Rev. C 32, 431 (1985), 10.1103/PhysRevC.32.431], conveniently generalized to include the part of the cross section corresponding the transfer to bound states. We pay particular attention to the case in which the unobserved particle is left in a bound state of the residual nucleus, in which case the theory prescribes the use of a complex potential, responsible for the spreading width of the populated single-particle states. We see that the introduction of this complex potential gives rise to an additional term in the prior cross-section formula, not present in the usual case of real binding potentials. The equivalence is numerically tested for the 58Ni(d ,p X ) reaction.

Quantum molecular dynamics of warm dense iron and a five-phase equation of state

NASA Astrophysics Data System (ADS)

Sjostrom, Travis; Crockett, Scott

2018-05-01

Through quantum molecular dynamics (QMD), utilizing both Kohn-Sham (orbital-based) and orbital-free density functional theory, we calculate the equation of state of warm dense iron in the density range 7 -30 g/cm 3 and temperatures from 1 to 100 eV. A critical examination of the iron pseudopotential is made, from which we find a significant improvement at high pressure to the previous QMD calculations of Wang et al. [Phys. Rev. E 89, 023101 (2014), 10.1103/PhysRevE.89.023101]. Our results also significantly extend the ranges of density and temperature that were attempted in that prior work. We calculate the shock Hugoniot and find very good agreement with experimental results to pressures over 20 TPa. These results are then incorporated with previous studies to generate a five-phase equation of state for iron.

Influence of the local-spin-density correlation functional on the stability of bcc ferromagnetic iron

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

Singh, D.; Clougherty, D.P.; MacLaren, J.M.

1991-10-01

The influence of local-spin-dependent correlation effects on the predicted stable ground-state phase of iron is reexamined with use of general-potential linearized augmented-plane-wave calculations. Differences in the form of the Vosko-Wilk-Nusair (VWN) local-spin-density functional used in previous studies are noted, since in previous studies significant additional approximations were made with respect to those of Vosko, Wilk, and Nusan (Can. J. Phys. 58, 1200 (1980)) and of MacLaren, Clougherty, and Albers (Phys. Rev. B 42, 3205 (1990)). While the results of previous linear muffin-tin orbital calculations using the VWN functional predict a bcc ferromagnetic ground state, the present calculations show that themore » VWN spin-correlation effects fail to stabilize a bcc ground state. Considerable sensitivity to the form of the spin interpolation is found.« less

Quantum dynamics study of H+NH3-->H2+NH2 reaction.

PubMed

Zhang, Xu Qiang; Cui, Qian; Zhang, John Z H; Han, Ke Li

2007-06-21

We report in this paper a quantum dynamics study for the reaction H+NH3-->NH2+H2 on the potential energy surface of Corchado and Espinosa-Garcia [J. Chem. Phys. 106, 4013 (1997)]. The quantum dynamics calculation employs the semirigid vibrating rotor target model [J. Z. H. Zhang, J. Chem. Phys. 111, 3929 (1999)] and time-dependent wave packet method to propagate the wave function. Initial state-specific reaction probabilities are obtained, and an energy correction scheme is employed to account for zero point energy changes for the neglected degrees of freedom in the dynamics treatment. Tunneling effect is observed in the energy dependency of reaction probability, similar to those found in H+CH4 reaction. The influence of rovibrational excitation on reaction probability and stereodynamical effect are investigated. Reaction rate constants from the initial ground state are calculated and are compared to those from the transition state theory and experimental measurement.

Relational time in anyonic systems

NASA Astrophysics Data System (ADS)

Nikolova, A.; Brennen, G. K.; Osborne, T. J.; Milburn, G. J.; Stace, T. M.

2018-03-01

In a seminal paper [Phys. Rev. D 27, 2885 (1983), 10.1103/PhysRevD.27.2885], Page and Wootters suggest that time evolution could be described solely in terms of correlations between systems and clocks, as a means of dealing with the "problem of time" stemming from vanishing Hamiltonian dynamics in many theories of quantum gravity. Their approach seeks to identify relational dynamics given a Hamiltonian constraint on the physical states. Here we present a "state-centric" reformulation of the Page and Wootters model better suited to cases where the Hamiltonian constraint is satisfied, such as anyons emerging in Chern-Simons theories. We describe relational time by encoding logical "clock" qubits into topologically protected anyonic degrees of freedom. The minimum temporal increment of such anyonic clocks is determined by the universality of the anyonic braid group, with nonuniversal models naturally exhibiting discrete time. We exemplify this approach by using SU (2) 2 anyons and discuss generalizations to other states and models.

Spectral Dissimilarities Between AZULENE(C10H_8) and NAPHTHALENE(C10H_8)

NASA Astrophysics Data System (ADS)

Baba, Masaaki

2010-06-01

Polycyclic aromatic hydrocarbons (PAHs) are of great interest in the molecular structure and excited-state dynamics, and there have been extensive spectroscopic and theoretical studies. Azulene and naphthalene are bicyclic aromatic hydrocarbons composed of odd- and even-membered rings, respectively. First, they were discriminated by a theory of mutual polarizability. Naphthalene is an alternant hydrocarbon, but azulene is not. In contrast, spectral resemblances were found by John Platt et al., and were explained by their simple model of molecular orbital. However, the absorption and emission feature of the S_1 and S_2 states is completely different each other. We have investigated each rotational and vibrational structures, and radiative and nonradiative processes by means of high-resolution spectroscopy and ab initio calculation. The equilibrium structures in the S_0, S_1, and S_2 states are similar. This small structural change upon electronic excitation is common to PAH molecules composed of six-membered rings. The fluorescence quantum yield is high because radiationless transitions such as intersystem crossing (ISC) to the triplet state and internal conversion (IC) to the S_0 state are very slow in the S_1 state. In contrast, the S_1 state of azulene is nonfluorescent and the S_1 ← S_0 excitation energy is abnormally small. We consider that the potential energy curve of a b_2 vibration is shallower in the S_1 state, and therefore the vibronic coupling with the S_0 state is strong to enhance the IC process remarkably. This situation is, of course, due to its peculiar characteristics of odd-membered rings and molecular symmetry, which are completely different from the naphthalene molecule. C. A. Coulson and H. C. Longuet-Higgins, Proc. Roy. Soc. A, 191, 39 (1947) D. E. Mann, J. R. Platt, and H. B. Klevens, J. Chem. Phys., 17, 481 (1949) Y. Semba, M. Baba, et al., J. Chem. Phys., 131, 024303 (2009) K. Yoshida, M. Baba, et al., J. Chem. Phys., 130, 194304 (2009)

Security of two-state and four-state practical quantum bit-commitment protocols

NASA Astrophysics Data System (ADS)

Loura, Ricardo; Arsenović, Dušan; Paunković, Nikola; Popović, Duška B.; Prvanović, Slobodan

2016-12-01

We study cheating strategies against a practical four-state quantum bit-commitment protocol [A. Danan and L. Vaidman, Quant. Info. Proc. 11, 769 (2012)], 10.1007/s11128-011-0284-4 and its two-state variant [R. Loura et al., Phys. Rev. A 89, 052336 (2014)], 10.1103/PhysRevA.89.052336 when the underlying quantum channels are noisy and the cheating party is constrained to using single-qubit measurements only. We show that simply inferring the transmitted photons' states by using the Breidbart basis, optimal for ambiguous (minimum-error) state discrimination, does not directly produce an optimal cheating strategy for this bit-commitment protocol. We introduce a strategy, based on certain postmeasurement processes and show it to have better chances at cheating than the direct approach. We also study to what extent sending forged geographical coordinates helps a dishonest party in breaking the binding security requirement. Finally, we investigate the impact of imperfect single-photon sources in the protocols. Our study shows that, in terms of the resources used, the four-state protocol is advantageous over the two-state version. The analysis performed can be straightforwardly generalized to any finite-qubit measurement, with the same qualitative results.

Path Integral Monte Carlo Simulations of Warm Dense Matter and Plasmas

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

Militzer, Burkhard

2018-01-13

New path integral Monte Carlo simulation (PIMC) techniques will be developed and applied to derive the equation of state (EOS) for the regime of warm dense matter and dense plasmas where existing first-principles methods cannot be applied. While standard density functional theory has been used to accurately predict the structure of many solids and liquids up to temperatures on the order of 10,000 K, this method is not applicable at much higher temperature where electronic excitations become important because the number of partially occupied electronic orbitals reaches intractably large numbers and, more importantly, the use of zero-temperature exchange-correlation functionals introducesmore » an uncontrolled approximation. Here we focus on PIMC methods that become more and more efficient with increasing temperatures and still include all electronic correlation effects. In this approach, electronic excitations increase the efficiency rather than reduce it. While it has commonly been assumed such methods can only be applied to elements without core electrons like hydrogen and helium, we recently showed how to extend PIMC to heavier elements by performing the first PIMC simulations of carbon and water plasmas [Driver, Militzer, Phys. Rev. Lett. 108 (2012) 115502]. Here we propose to continue this important development to extend the reach of PIMC simulations to yet heavier elements and also lower temperatures. The goal is to provide a robust first-principles simulation method that can accurately and efficiently study materials with excited electrons at solid-state densities in order to access parts of the phase diagram such the regime of warm dense matter and plasmas where so far only more approximate, semi-analytical methods could be applied.« less

Entanglement criteria via the uncertainty relations in su(2) and su(1,1) algebras: Detection of non-Gaussian entangled states

NASA Astrophysics Data System (ADS)

Nha, Hyunchul; Kim, Jaewan

2006-07-01

We derive a class of inequalities, from the uncertainty relations of the su(1,1) and the su(2) algebra in conjunction with partial transposition, that must be satisfied by any separable two-mode states. These inequalities are presented in terms of the su(2) operators Jx=(a†b+ab†)/2 , Jy=(a†b-ab†)/2i , and the total photon number ⟨Na+Nb⟩ . They include as special cases the inequality derived by Hillery and Zubairy [Phys. Rev. Lett. 96, 050503 (2006)], and the one by Agarwal and Biswas [New J. Phys. 7, 211 (2005)]. In particular, optimization over the whole inequalities leads to the criterion obtained by Agarwal and Biswas. We show that this optimal criterion can detect entanglement for a broad class of non-Gaussian entangled states, i.e., the su(2) minimum-uncertainty states. Experimental schemes to test the optimal criterion are also discussed, especially the one using linear optical devices and photodetectors.

Physical states and finite-size effects in Kitaev's honeycomb model: Bond disorder, spin excitations, and NMR line shape

NASA Astrophysics Data System (ADS)

Zschocke, Fabian; Vojta, Matthias

2015-07-01

Kitaev's compass model on the honeycomb lattice realizes a spin liquid whose emergent excitations are dispersive Majorana fermions and static Z2 gauge fluxes. We discuss the proper selection of physical states for finite-size simulations in the Majorana representation, based on a recent paper by F. L. Pedrocchi, S. Chesi, and D. Loss [Phys. Rev. B 84, 165414 (2011), 10.1103/PhysRevB.84.165414]. Certain physical observables acquire large finite-size effects, in particular if the ground state is not fermion-free, which we prove to generally apply to the system in the gapless phase and with periodic boundary conditions. To illustrate our findings, we compute the static and dynamic spin susceptibilities for finite-size systems. Specifically, we consider random-bond disorder (which preserves the solubility of the model), calculate the distribution of local flux gaps, and extract the NMR line shape. We also predict a transition to a random-flux state with increasing disorder.

Dissipative preparation of steady Greenberger-Horne-Zeilinger states for Rydberg atoms with quantum Zeno dynamics

NASA Astrophysics Data System (ADS)

Shao, X. Q.; Wu, J. H.; Yi, X. X.; Long, Gui-Lu

2017-12-01

Inspired by a recent work [F. Reiter, D. Reeb, and A. S. Sørensen, Phys. Rev. Lett. 117, 040501 (2016), 10.1103/PhysRevLett.117.040501], we present a simplified proposal for dissipatively preparing a Greenberger-Horne-Zeilinger (GHZ) state of three Rydberg atoms in a cavity. The Z pumping is implemented under the action of the spontaneous emission of Λ -type atoms and the quantum Zeno dynamics induced by strong continuous coupling. In the meantime, a dissipative Rydberg pumping breaks up the stability of the state | GHZ+〉 in the process of Z pumping, making | GHZ-〉 the unique steady state of the system. Compared with the former scheme, the number of driving fields acting on atoms is greatly reduced and only a single-mode cavity is required. The numerical simulation of the full master equation reveals that a high fidelity ˜98 % can be obtained with the currently achievable parameters in the Rydberg-atom-cavity system.

Spatial entanglement of nonvacuum Gaussian states

NASA Astrophysics Data System (ADS)

Kiałka, Filip; Ahmadi, Mehdi; Dragan, Andrzej

2016-06-01

The vacuum state of a relativistic quantum field contains entanglement between regions separated by spacelike intervals. Such spatial entanglement can be revealed using an operational method introduced in [M. Rodriguez-Vazquez, M. del Rey, H. Westman, and J. Leon, Ann. Phys. (N.Y.) 351, 112 (2014), E. G. Brown, M. del Rey, H. Westman, J. Leon, and A. Dragan, Phys. Rev. D 91, 016005 (2015)]. In this approach, a cavity is instantaneously divided into halves by an introduction of an extra perfect mirror. Causal separation of the two regions of the cavity reveals nonlocal spatial correlations present in the field, which can be quantified by measuring particles generated in the process. We use this method to study spatial entanglement properties of nonvacuum Gaussian field states. In particular, we show how to enhance the amount of harvested spatial entanglement by an appropriate choice of the initial state of the field in the cavity. We find a counterintuitive influence of the initial entanglement between cavity modes on the spatial entanglement which is revealed by dividing the cavity in half.

Effect of wall-mediated hydrodynamic fluctuations on the kinetics of a Brownian nanoparticle

NASA Astrophysics Data System (ADS)

Yu, Hsiu-Yu; Eckmann, David M.; Ayyaswamy, Portonovo S.; Radhakrishnan, Ravi

2016-12-01

The reactive flux formalism (Chandler 1978 J. Chem. Phys. 68, 2959-2970. (doi:10.1063/1.436049)) and the subsequent development of methods such as transition path sampling have laid the foundation for explicitly quantifying the rate process in terms of microscopic simulations. However, explicit methods to account for how the hydrodynamic correlations impact the transient reaction rate are missing in the colloidal literature. We show that the composite generalized Langevin equation (Yu et al. 2015 Phys. Rev. E 91, 052303. (doi:10.1103/PhysRevE.91.052303)) makes a significant step towards solving the coupled processes of molecular reactions and hydrodynamic relaxation by examining how the wall-mediated hydrodynamic memory impacts the two-stage temporal relaxation of the reaction rate for a nanoparticle transition between two bound states in the bulk, near-wall and lubrication regimes.

Structural State and Elastic Properties of Perovskites in the Earth's Mantle

NASA Astrophysics Data System (ADS)

Ross, N. L.; Angel, R. J.; Zhao, J.

2005-12-01

Recent advances in laboratory-based single-crystal X-ray diffraction techniques for measuring the intensities of diffraction from crystals held in situ at high pressures in the diamond-anvil cell have been used to determine the role of polyhedral compression in the response of 2:4 and 3:3 GdFeO3-type perovskites to high pressure [1]. These new data clearly demonstrate that, contrary to previous belief, the compression of the octahedral sites is significant and that the evolution of the perovskite structure with pressure is controlled by a new principle; that of equipartition of bond-valence strain across the structure [2]. This new paradigm, together with the minimal information available from high- pressure powder diffraction studies, may provide the possibility of predicting the structural state and elastic properties of perovskites of any composition at mantle pressures and temperatures. Cation partioning between silicate perovskites and other phases should then be predictable through the application of a Brice-style model [3]. The geochemical implications of this type of analysis will be presented as well as the possibility for extending these measurements to higher pressures. References [1] e.g. Zhao, Ross & Angel (2004) Phys Chem Miner. 31: 299; Ross, Zhao,. & Angel (2004). J. Solid State Chemistry 177:1276. [2] Zhao, Ross, & Angel (2004). Acta Cryst. B60:263 [3] e.g Walter et al. (2004) Geochim Cosmochim Acta 68:4267; Blundy & Wood (1994) Nature 372:452

Kinematically complete study of low-energy electron-impact ionization of argon: Internormalized cross sections in three-dimensional kinematics

NASA Astrophysics Data System (ADS)

Ren, Xueguang; Amami, Sadek; Zatsarinny, Oleg; Pflüger, Thomas; Weyland, Marvin; Dorn, Alexander; Madison, Don; Bartschat, Klaus

2016-06-01

As a further test of advanced theoretical methods to describe electron-impact single-ionization processes in complex atomic targets, we extended our recent work on Ne (2 p ) ionization [X. Ren, S. Amami, O. Zatsarinny, T. Pflüger, M. Weyland, W. Y. Baek, H. Rabus, K. Bartschat, D. Madison, and A. Dorn, Phys. Rev. A 91, 032707 (2015), 10.1103/PhysRevA.91.032707] to Ar (3 p ) ionization at the relatively low incident energy of E0=66 eV. The experimental data were obtained with a reaction microscope, which can cover nearly the entire 4 π solid angle for the secondary electron emission. We present experimental data for detection angles of 10, 15, and 20∘ for the faster of the two outgoing electrons as a function of the detection angle of the secondary electron with energies of 3, 5, and 10 eV, respectively. Comparison with theoretical predictions from a B -spline R -matrix (BSR) with pseudostates approach and a three-body distorted-wave (3DW) approach, for detection of the secondary electron in three orthogonal planes as well as the entire solid angle, shows overall satisfactory agreement between experiment and the BSR results, whereas the 3DW approach faces difficulties in predicting some of the details of the angular distributions. These findings are different from our earlier work on Ne (2 p ), where both the BSR and 3DW approaches yielded comparable levels of agreement with the experimental data.

Time reversal through a solid-liquid interface and super-resolution

NASA Astrophysics Data System (ADS)

Tsogka, Chrysoula; Papanicolaou, George C.

2002-12-01

We present numerical computations that reproduce the time-reversal experiments of Draeger et al (Draeger C, Cassereau D and Fink M 1998 Appl. Phys. Lett. 72 1567-9), where ultrasound elastic waves are time-reversed back to their source with a time-reversal mirror in a fluid adjacent to the solid. We also show numerically that multipathing caused by random inhomogeneities improves the focusing of the back-propagated elastic waves beyond the diffraction limit seen previously in acoustic wave propagation (Dowling D R and Jackson D R 1990 J. Acoust. Soc. Am. 89 171-81, Dowling D R and Jackson D R 1992 J. Acoust. Soc. Am. 91 3257-77, Fink M 1999 Sci. Am. 91-7, Kuperman W A, Hodgkiss W S, Song H C, Akal T, Ferla C and Jackson D R 1997 J. Acoust. Soc. Am. 103 25-40, Derode A, Roux P and Fink M 1995 Phys. Rev. Lett. 75 4206-9), which is called super-resolution. A theoretical explanation of the robustness of super-resolution is given, along with several numerical computations that support this explanation (Blomgren P, Papanicolaou G and Zhao H 2002 J. Acoust. Soc. Am. 111 238-48). Time reversal with super-resolution can be used in non-destructive testing and, in a different way, in imaging with active arrays (Borcea L, Papanicolaou G, Tsogka C and Berryman J 2002 Inverse Problems 18 1247-79).

Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory

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

Sato, Shunsuke A.; Taniguchi, Yasutaka; Department of Medical and General Sciences, Nihon Institute of Medical Science, 1276 Shimogawara, Moroyama-Machi, Iruma-Gun, Saitama 350-0435

2015-12-14

We develop methods to calculate electron dynamics in crystalline solids in real-time time-dependent density functional theory employing exchange-correlation potentials which reproduce band gap energies of dielectrics; a meta-generalized gradient approximation was proposed by Tran and Blaha [Phys. Rev. Lett. 102, 226401 (2009)] (TBm-BJ) and a hybrid functional was proposed by Heyd, Scuseria, and Ernzerhof [J. Chem. Phys. 118, 8207 (2003)] (HSE). In time evolution calculations employing the TB-mBJ potential, we have found it necessary to adopt the predictor-corrector step for a stable time evolution. We have developed a method to evaluate electronic excitation energy without referring to the energy functionalmore » which is unknown for the TB-mBJ potential. For the HSE functional, we have developed a method for the operation of the Fock-like term in Fourier space to facilitate efficient use of massive parallel computers equipped with graphic processing units. We compare electronic excitations in silicon and germanium induced by femtosecond laser pulses using the TB-mBJ, HSE, and a simple local density approximation (LDA). At low laser intensities, electronic excitations are found to be sensitive to the band gap energy: they are close to each other using TB-mBJ and HSE and are much smaller in LDA. At high laser intensities close to the damage threshold, electronic excitation energies do not differ much among the three cases.« less

Special issue: diagnostics of atmospheric pressure microplasmas

NASA Astrophysics Data System (ADS)

Bruggeman, Peter; Czarnetzki, Uwe; Tachibana, Kunihide

2013-11-01

In recent decades, a strong revival of non-equilibrium atmospheric pressure plasma studies has developed in the form of microplasmas. Microplasmas have typical scales of 1 mm or less and offer a very exciting research direction in the field of plasma science and technology as the discharge physics can be considerably different due to high collisionality and the importance of plasma-surface interaction. These high-pressure small-scale plasmas have a diverse range of physical and chemical properties. This diversity coincides with various applications including light/UV sources [1], material processing [2], chemical analysis [3], material synthesis [4], electromagnetics [5], combustion [6] and even medicine [7]. At atmospheric pressure, large scale plasmas have the tendency to become unstable due to the high collision rates leading to enhanced heating and ionization compared to their low-pressure counterparts. As low-pressure plasmas typically operate in reactors with sizes of tens of centimetres, scaling up the pressure to atmospheric pressure the size of the plasma reduces to typical sizes below 1 mm. A natural approach of stabilizing atmospheric pressure plasmas is thus the use of microelectrode geometries. Traditionally microplasmas have been produced in confined geometries which allow one to stabilize dc excited discharges. This stabilization is intrinsically connected to the large surface-to-volume ratio which enhances heat transfer and losses of charged and excited species to the walls. Currently challenging boundaries are pushed by producing microcavity geometries with dimensions of the order of 1 µm [8]. The subject of this special issue, diagnostics of microplasmas, is motivated by the many challenges in microplasma diagnostics in view of the complex chemistry and strong spatial (and even temporal) gradients of species densities and plasma properties. Atmospheric pressure plasmas have a very long history dating back more than 100 years, with early work of, e.g. Werner von Siemens [9], who studied a dielectric barrier discharge (DBD) in the context of ozone generation. DBD discharges often consist of numerous filamentary discharges which are inherently transient in nature and with a characteristic size similar to the dimensions of microplasmas. Several groups are investigating the stabilization of such plasma filaments to perform temporal and spatial resolved diagnostics. To this end and due to the many similar challenges for diagnostics, this type of discharge is also included in this special issue. Research on microplasmas is performed in many groups spread all over the world, and a biannual workshop is devoted to the topic. The 7th edition of this International Workshop on Microplasmas was held in Beijing in May 2013. Large research programs consisting of clusters of research labs such as in Japan, Germany, France and the USA have been producing a wealth of information available in the literature. As the editors of this special issue, we are very pleased to have attracted a collection of excellent papers from leading experts in the field covering most of the current diagnostics performed in microplasmas. As an introduction to the regular special issue papers, a review paper is included [10]. It describes the key characteristics of atmospheric pressure plasmas and microplasmas in particular, and reviews the state of the art in plasma diagnostics. Special attention has been given in this review to highlighting the issues and challenges to probe microplasmas. The regular papers cover a large range of different diagnostics including coherent anti-Stokes Raman scattering (CARS) [11], (two-photon) laser induced fluorescence ((Ta)LIF) [12, 13, 18, 24], absorption spectroscopy [13-18], optical emission spectroscopy [12, 16-21, 24], imaging [22, 23], surface diagnostics [24, 25] and mass spectrometry [26, 27]. Different aspects of microplasmas are broadly investigated from a perspective of diagnostics, modelling and applications. Diagnostics are pivotal to both the development of models and the optimization and exploration of novel applications. Consequently, this special issue is focused on the various aspects and challenges for diagnostics in microplasmas. In addition, previous special issues on the topic of microplasmas have already covered many aspects of source development, applications and modelling [28-31]. The reader who wishes to access additional background information on microplasmas is referred to the following review papers [32-35]. We would like to thank all the contributors and the editorial staff who were of tremendous support in the preparation of this special issue. It is our sincere hope that you enjoy reading this special issue and that it will be a reference and helpful guidance for young researchers embarking in the field of microplasmas. The continued effort to increase our understanding of plasmas by modelling and diagnostics is of key importance for plasma science and the development of novel technologies. References [1] Eden J G, Park S-J, Herring C M and Bulson J M 2011 J. Phys. D: Appl. Phys. 44 224011 [2] Lucas N, Ermel V, Kurrat M and Buttgenbach S 2008 J. Phys. D: Appl. Phys. 41 215202 [3] Karnassios V 2004 Spectrochim. Acta B 59 909-28 [4] Mariotti D and Sankaran RM 2010 J. Phys. D: Appl. Phys. 43 323001 [5] Sakai O and Tachibana K 2012 Plasma Sources Sci. Technol. 21 013001 [6] Starikovskaia S M 2006 Plasma assisted ignition and combustion J. Phys. D.: Appl. Phys. 39 R265-99 [7] Fridman G, Friedman G, Gutsol A, Shekhter A B, Vasilets V N and Fridman A 2008 Plasma Process. Polym. 5 503-33 [8] Eden G et al 2013 IEEE Trans. Plasma Sci. 41 661-75 [9] Siemens W 1857 Poggendorffs. Ann. Phys. Chem. 102 66-122 [10] Bruggeman P and Brandenburg R 2013 J. Phys. D: Appl. Phys. 46 464001 [11] Montello A et al 2013 J. Phys. D: Appl. Phys. 46 464002 [12] Schröder D et al 2013 J. Phys. D: Appl. Phys. 46 464003 [13] Verreycken T et al 2013 J. Phys. D: Appl. Phys. 46 464004 [14] Sousa J S and Puech V 2013 J. Phys. D: Appl. Phys. 46 464005 [15] Takeda K et al 2013 J. Phys. D: Appl. Phys. 46 464006 [16] Vallade J and Massines F 2013 J. Phys. D: Appl. Phys. 46 464007 [17] Wang C and Wu W 2013 J. Phys. D: Appl. Phys. 46 464008 [18] Schröter S et al 2013 J. Phys. D: Appl. Phys. 46 464009 [19] Rusterholtz D L et al 2013 J. Phys. D: Appl. Phys. 46 464010 [20] Huang B-D et al 2013 J. Phys. D: Appl. Phys. 46 464011 [21] Pothiraja R et al 2013 J. Phys. D: Appl. Phys. 46 464012 [22] Marinov I et al 2013 J. Phys. D: Appl. Phys. 46 464013 [23] Akishev Y et al 2013 J. Phys. D: Appl. Phys. 46 464014 [24] Brandenburg R et al 2013 J. Phys. D: Appl. Phys. 46 464015 [25] Houlahan T J Jret al 2013 J. Phys. D: Appl. Phys. 46 464016 [26] Benedikt J et al 2013 J. Phys. D: Appl. Phys. 46 464017 [27] McKay K et al 2013 J. Phys. D: Appl. Phys. 46 464018 [28] Selected papers from the 2nd International Workshop on Microplasmas 2005 J. Phys. D: Appl. Phys. 38 1633-759 [29] Special issue: 3rd International Workshop on Microplasmas 2007 Control. Plasma Phys. 47 3-128 [30] Cluster issue on Microplasmas: 4th International Workshop on Microplasmas 2008 J. Phys. D: Appl. Phys. 41 1904001 [31] Microplasmas: scientific challenges and technological opportunities 2010 Eur. Phys. J. D 60 437-608 [32] Becker K H, Schoenbach K H and Eden J G 2006 J. Phys. D: Appl. Phys. 39 R55 [33] Iza F, Kim G J, Lee S M, Lee J K, Walsh J L, Zhang Y T and Kong M G 2008 Plasma Process. Polym. 5 322-44 [34] Tachibana K 2006 Trans. Electr. Electron. Eng. 1 145-55 [35] Samukawa S et al 2012 J. Phys. D: Appl. Phys. 45 253001

Variational Two-Particle Density Matrix Calculation for the Hubbard Model Below Half Filling Using Spin-Adapted Lifting Conditions

NASA Astrophysics Data System (ADS)

Verstichel, Brecht; van Aggelen, Helen; Poelmans, Ward; Van Neck, Dimitri

2012-05-01

The variational determination of the two-particle density matrix is an interesting, but not yet fully explored technique that allows us to obtain ground-state properties of a quantum many-body system without reference to an N-particle wave function. The one-dimensional fermionic Hubbard model has been studied before with this method, using standard two- and three-index conditions on the density matrix [J. R. Hammond , Phys. Rev. A 73, 062505 (2006)PLRAAN1050-294710.1103/PhysRevA.73.062505], while a more recent study explored so-called subsystem constraints [N. Shenvi , Phys. Rev. Lett. 105, 213003 (2010)PRLTAO0031-900710.1103/PhysRevLett.105.213003]. These studies reported good results even with only standard two-index conditions, but have always been limited to the half-filled lattice. In this Letter, we establish the fact that the two-index approach fails for other fillings. In this case, a subset of three-index conditions is absolutely needed to describe the correct physics in the strong-repulsion limit. We show that applying lifting conditions [J. R. Hammond , Phys. Rev. APLRAAN1050-2947 71, 062503 (2005)10.1103/PhysRevA.71.062503] is the most economical way to achieve this, while still avoiding the computationally much heavier three-index conditions. A further extension to spin-adapted lifting conditions leads to increased accuracy in the intermediate repulsion regime. At the same time, we establish the feasibility of such studies to the more complicated phase diagram in two-dimensional Hubbard models.

Surface Enhanced Raman Scattering (SERS) Detection of Ammonium Nitrate (AN) Samples Fabricated Using Drop-on-Demand Inkjet Technology on Commercial and Fabricated SERS Substrates

DTIC Science & Technology

2013-04-01

III. Characterization of Polymorphic States in Energetic Samples of 1,3,5-Trinitro-1,3,5- Triazine ( RDX ) Fabricated Using Drop-on-Demand Inkjet...Asher, S. A. Deep-Ultraviolet Resonance Raman Excitation Profiles of NH4NO3, PETN, TNT, HMX , and RDX . Appl. Spec. 2012, 66 (9), 1013–1021. 19. Izake...L. A. The IV-III Polymorphic Phase- transition in Smmonium Nitrate – A Unique Example of Solvent Mediation. J. Phys. D. Apply. Phys. 1991, 24 (2

Overlap of two topological phases in the antiferromagnetic Potts model

NASA Astrophysics Data System (ADS)

Zhao, Ran; Ding, Chengxiang; Deng, Youjin

2018-05-01

By controlling the vortex core energy, the three-state ferromagnetic Potts model can exhibit two types of topological paradigms, including the quasi-long-range ordered phase and the vortex lattice phase [Phys. Rev. Lett. 116, 097206 (2016), 10.1103/PhysRevLett.116.097206]. Here, using Monte Carlo simulations using an efficient worm algorithm, we show that by controlling the vortex core energy, the antiferromagnetic Potts model can also exhibit the two topological phases, and, more interestingly, the two topological phases can overlap with each other.

Direct Observation of NF(X) Using Laser-Induced Fluorescence: Kinetics of the NF 3 Sigma(-) Ground State

DTIC Science & Technology

1990-08-06

HEIDNER III, J. S. HOLLOWAY, H . HELVAJIAN , AND J. B. KOFFEND Aerophysics Laboratory Laboratory Operations The Aerospace Corporation El Segundo, CA 90245...91, 3658 (1987). 14. E. Quinones, J. Habdas, and D. W. Setser, J. Phys. Chem. 91, 5155 (1987). 15. R. F. Heidner III, H . Helvajian , and J. B. Koffend...J. Chem. Phys. 87, 1520 (1987). 16. R. F. Heidner, H . Helvajian , J. S. Holloway, and J. B. Koffend (to be published). 17. F. A. Johnson and C. B

Unconditional optimality of Gaussian attacks against continuous-variable quantum key distribution.

PubMed

García-Patrón, Raúl; Cerf, Nicolas J

2006-11-10

A fully general approach to the security analysis of continuous-variable quantum key distribution (CV-QKD) is presented. Provided that the quantum channel is estimated via the covariance matrix of the quadratures, Gaussian attacks are shown to be optimal against all collective eavesdropping strategies. The proof is made strikingly simple by combining a physical model of measurement, an entanglement-based description of CV-QKD, and a recent powerful result on the extremality of Gaussian states [M. M. Wolf, Phys. Rev. Lett. 96, 080502 (2006)10.1103/PhysRevLett.96.080502].

Reverse Mössbauer effect as a possible source of “hot” molecules absorbed in crystalline solids at low temperature

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

Demontis, Pierfranco; Suffritti, Giuseppe B., E-mail: pino@uniss.it

2016-09-07

As an attempt to explain some of the many anomalies and unresolved problems which have been reported about the dynamic behavior of particles and molecules absorbed in crystalline solids, the “reverse Mössbauer effect” (RME) is proposed. RME theory posits that a particle in non-equilibrium state with respect to a crystal (colliding with the crystal or absorbed in it, but set out of thermal equilibrium by some external cause) is scattered by the whole crystal with a momentum proportional to a vector representing a reciprocal lattice point. The scattering is expected to occur with a well-defined probability and the momentum transferablemore » to the particle is expected to follow a predictable distribution. The RME theory, in practice, is an extension of the Bragg–von Laue scattering law to high-energy colliding particles, in general, and can be applied to any particle or molecule colliding with the surface of a crystalline solid or absorbed in it, but not in thermal equilibrium with the crystal lattice. We verified the RME theory by considering a well-defined unresolved problem. In an experimental study about methane adsorbed in the zeolite Na-ZSM-5 [H. Jobic, Chem. Phys. Lett. 170, 217 (1990)] reporting neutron inelastic-scattering spectra (recoiled bands) at 10 K, the translational kinetic energy of methane resulted to be much higher than equilibrium expected value, namely, about 85 K (or 7.3 meV). The author concluded that “the interpretation of this unusual behavior has yet to be found.” In the present study, on the basis of the RME, an explanation of this behavior is put forward.« less