Thermal hazard assessment of AN and AN-based explosives.

PubMed

Turcotte, R; Lightfoot, P D; Fouchard, R; Jones, D E G

2003-07-04

Ammonium nitrate (AN) is an essential ingredient in most fertilizers. It is also widely used in the commercial explosives industry. In this latter application, it is mostly mixed with fuel oil to form the most popular commercial explosive: ANFO. In both the fertilizer and the explosive industry, aqueous AN solutions (ANS) of various concentrations are processed. These solutions also form the basis of ammonium nitrate emulsion explosives (also called ammonium nitrate emulsions or ANE), which are produced either in bulk or in packaged form. For all these AN-based products, quantities of the order of 20,000kg are being manufactured, transported, stored, and processed at elevated temperatures and/or elevated pressures. Correspondingly, major accidents involving overheating of large quantities of these products have happened in several of these operations. In comparison, convenient laboratory quantities to investigate thermal decomposition properties are generally less than 1kg. As a result, in order to provide information applicable to real-life situations, any laboratory study must use techniques that minimize heat losses from the samples to their environment. In the present study, two laboratory-scale calorimeters providing an adiabatic environment were used: an accelerating rate calorimeter (ARC) and an adiabatic Dewar calorimeter (ADC). Experiments were performed on pure AN, ANFO, various ANS systems, and typical bulk and packaged ANE systems. The effects of sample mass, atmosphere, and formulation on the resulting onset temperatures were studied. A comparison of the results from the two techniques is provided and a proposed method to extrapolate these results to large-scale inventories is examined.

Internal short circuit and accelerated rate calorimetry tests of lithium-ion cells: Considerations for methane-air intrinsic safety and explosion proof/flameproof protection methods.

PubMed

Dubaniewicz, Thomas H; DuCarme, Joseph P

2016-09-01

Researchers with the National Institute for Occupational Safety and Health (NIOSH) studied the potential for lithium-ion cell thermal runaway from an internal short circuit in equipment for use in underground coal mines. In this third phase of the study, researchers compared plastic wedge crush-induced internal short circuit tests of selected lithium-ion cells within methane (CH 4 )-air mixtures with accelerated rate calorimetry tests of similar cells. Plastic wedge crush test results with metal oxide lithium-ion cells extracted from intrinsically safe evaluated equipment were mixed, with one cell model igniting the chamber atmosphere while another cell model did not. The two cells models exhibited different internal short circuit behaviors. A lithium iron phosphate (LiFePO 4 ) cell model was tolerant to crush-induced internal short circuits within CH 4 -air, tested under manufacturer recommended charging conditions. Accelerating rate calorimetry tests with similar cells within a nitrogen purged 353-mL chamber produced ignitions that exceeded explosion proof and flameproof enclosure minimum internal pressure design criteria. Ignition pressures within a 20-L chamber with 6.5% CH 4 -air were relatively low, with much larger head space volume and less adiabatic test conditions. The literature indicates that sizeable lithium thionyl chloride (LiSOCl 2 ) primary (non rechargeable) cell ignitions can be especially violent and toxic. Because ignition of an explosive atmosphere is expected within explosion proof or flameproof enclosures, there is a need to consider the potential for an internal explosive atmosphere ignition in combination with a lithium or lithium-ion battery thermal runaway process, and the resulting effects on the enclosure.

High-temperature explosive development for geothermal well stimulation. Final report

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

Schmidt, E.W.; Mars, J.E.; Wang, C.

1978-03-31

A two-component, temperature-resistant liquid explosive called HITEX has been developed which is capable of withstanding 561/sup 0/K (550/sup 0/F) for 24 hours in a geothermal environment. The explosive is intended for the stimulation of nonproducing or marginally producing geothermal (hot dry rock, vapor-dominated or hydrothermal) reservoirs by fracturing the strata in the vicinity of a borehole. The explosive is inherently safe because it is mixed below ground downhole from two nondetonable liquid components. Development and safety tests included differential scanning calorimetry, thermal stability, minerals compatibility, drop-weight sensitivity, adiabatic compression, electrostatic discharge sensitivity, friction sensitivity, detonation arrest capability, cook-off tests, detonabilitymore » at ambient and elevated pressure, detonation velocity and thin film propagation in a wedge.« less

Thermally generated magnetic fields in laser-driven compressions and explosions

NASA Technical Reports Server (NTRS)

Tidman, D. A.

1975-01-01

The evolution of thermally generated magnetic fields in a plasma undergoing a nearly spherically symmetric adiabatic compression or expansion is calculated. The analysis is applied to obtain approximate results for the development of magnetic fields in laser-driven compression and explosion of a pellet of nuclear fuel. Localized sources, such as those occurring at composition boundaries in structured pellets or at shock fronts, give stronger fields than those deriving from smoothly distributed asymmetries. Although these fields may approach 10 million G in the late stages of compression, this is not expected to present difficulties for the compression process. Assuming ignition of a nuclear explosion occurs, the sources become much stronger, and values of approximately 10 billion G are obtained at tamper boundaries assuming a 20% departure from spherical symmetry during the explosion.

Aspherical Supernovae and Oblique Shock Breakout

NASA Astrophysics Data System (ADS)

Afsariardchi, Niloufar; Matzner, Christopher D.

2017-02-01

In an aspherical supernova explosion, shock emergence is not simultaneous and non-radial flows develop near the stellar surface. Oblique shock breakouts tend to be easily developed in compact progenitors like stripped-envelop core collapse supernovae. According to Matzner et al. (2013), non-spherical explosions develop non-radial flows that alters the observable emission and radiation of a supernova explosion. These flows can limit ejecta speed, change the distribution of matter and heat of the ejecta, suppress the breakout flash, and most importantly engender collisions outside the star. We construct a global numerical FLASH hydrodynamic simulation in a two dimensional spherical coordinate, focusing on the non-relativistic, adiabatic limit in a polytropic envelope to see how these fundamental differences affect the early light curve of core-collapse SNe.

Microstructure and Properties of 5083 Al/1060 Al/AZ31 Composite Plate Fabricated by Explosive Welding

NASA Astrophysics Data System (ADS)

Yang, Suyuan; Bao, Jiawei

2018-03-01

A 5083 Al/1060 Al/AZ31 composite plate was fabricated by explosive welding. The microstructure and properties of the composite plate were investigated after explosive welding. The results showed that all bonding interfaces were wavy interfaces. With an increasing distance from the detonation point, the wavelength and the amplitude also increased. The EDS results indicated that a 5-μm diffusion layer was observed at the 1060 Al/AZ31 layer, including the Mg2Al3 phase. Adiabatic shear bands and twin structures were observed in AZ31. The shear bond strength of the 5083 Al/1060 Al interface was 60 MPa, and the shear bond strength of the 1060 Al/AZ31 interface was 84 MPa.

Cellulose-reinforced composites and SRIM and RTM modeling

NASA Astrophysics Data System (ADS)

Fahrurrozi, Mohammad

Structural reaction injection molding (SRIM) cellulosic/polyurethane composites were prepared from various forms of cellulosic mats, and elastomeric polyurea-urethane (PUU) and rigid polyurethane (PU) formulations. Mats (woven and non-woven) prepared from different sources of fibers with lignin content ranging from zero (cotton) to at least 10% (sugar cane and kenaf fibers) performed comparably in PUU/cellulosic composites. Young's modulus and tensile strength of PUU/cellulosic composites were doubled with 5% and 7% fiber loading respectively. Young's modulus and tensile strength of PU/cellulosic composites were improved by 300% and 30%, respectively, with 7% fiber loading, whereas their bending moduli and strengths were improved up to 100% and 50%, respectively, with 18% fiber loading. However, the mechanical properties of PU composites were more sensitive to the fiber properties and fiber macroscopic arrangements. The study with chemical ratio variations indicates that as the fiber loading increases, the cellulose hydroxyl presence starts shifting the chemical balance and thus should be accounted for. Mats prepared from sugar cane fibers extracted from rind with low alkali concentration (0.2 N) followed by steam explosion require lower injection pressures compared to the ones prepared from fiber obtained from higher alkali treatment (above 0.5 N) without steam explosion. Hence, the steam exploded mats are more suitable for SRIM purposes. The PU kinetics was studied using an adiabatic temperature rise method. An Arrhenius type empirical equation was used to fit the data. The fitted equation was second order to the partial conversion, and the gelling time at adiabatic condition is less than 5 seconds (much quicker than the 10 to 12 seconds in mold gel time quoted by the manufacturer). FORTRAN programs were written to solve the SRIM model based on Darcy's equation. The model incorporated heat transfer and chemical reaction. The modeling was intended to aid in interpreting in-mold pressure data obtained from mat permeability characterization. The model also has other wider applications such as mold design and SRIM and resin transfer molding (RTM) simulation. The model predicts some experimental data from this work and the literature satisfactorily.

Molecular structure, thermal behavior and adiabatic time-to-explosion of 3,3-dinitroazetidinium picrate

NASA Astrophysics Data System (ADS)

Ma, Haixia; Yan, Biao; Li, Junfeng; Ren, Yinghui; Chen, Yongshi; Zhao, Fengqi; Song, Jirong; Hu, Rongzu

2010-09-01

3,3-Dinitroazetidinium picrate (DNAZṡPA) was synthesized by adding 3,3-dinitroazetidine (DNAZ) to picric acid (PA) in methanol, the single crystals suitable for X-ray measurement were obtained by recrystallization at room temperature. The compound crystallises orthorhombic with space group P2 12 12 1 and crystal parameters of a = 0.7655(1) nm, b = 0.8962(2) nm, c = 2.0507(4) nm, V = 1.4069(5) nm 3, D c = 1.776 g cm -3, Z = 4, F(0 0 0) = 768 and μ = 0.166 mm -1. The thermal behavior of DNAZṡPA was studied under a non-isothermal condition by DSC and TG-DTG methods. The kinetic parameters of the first exothermic thermal decomposition process were obtained from analysis of the DSC and TG curves by Kissinger method, Ozawa method and the integral method. The specific heat capacity of DNAZṡPA was determined with a continuous C p mode of micro-calorimeter and the standard mole specific heat capacity was 436.56 J mol -1 K -1 at 298.15 K. Using the relationship of C p with T and the thermal decomposition parameters, the time of the thermal decomposition from initialization to thermal explosion (adiabatic time-to-explosion) was evaluated to be 40.7 s. The free radical signals of DNAZṡPA and 1,3,3-trinitroazetidine (TNAZ) were detected by electron spin resonance (ESR) technique to estimate its sensitivity.

Adiabatic Compression Sensitivity of Liquid Fuels and Monopropellants

NASA Technical Reports Server (NTRS)

Ismail, Ismail M. K.; Hawkins, Tom W.

2000-01-01

Liquid rocket propellants can be sensitive to rapid compression. Such liquids may undergo decomposition and their handling may be accompanied with risk. Decomposition produces small gas bubbles in the liquid, which upon rapid compression may cause catastrophic explosions. The rapid compression can result from mechanical shocks applied on the tank containing the liquid or from rapid closure of the valves installed on the lines. It is desirable to determine the conditions that may promote explosive reactions. At Air Force Research Laboratory (AFRL), we constructed an apparatus and established a safe procedure for estimating the sensitivity of propellant materials towards mechanical shocks (Adiabatic Compression Tester). A sample is placed on a stainless steel U-tube, held isothermally at a temperature between 20 and 150 C then exposed to an abrupt mechanical shock of nitrogen gas at a pressure between 6.9 and 20.7 MPa (1000 to 3000 psi). The apparatus is computer interfaced and is driven with LABTECH NOTEBOOK-pro (registered) Software. In this presentation, the design of the apparatus is shown, the operating procedure is outlined, and the safety issues are addressed. The results obtained on different energetic materials are presented.

The delayed-detonation model of Type Ia supernovae. 2: The detonation phase

NASA Technical Reports Server (NTRS)

Arnett, David; Livne, Eli

1994-01-01

The investigation, by use of two-dimensional numerical hydrodynamics simulations, of the 'delayed detonation' mechanism of Khokhlov for the explosion of Type Ia supernovae is continued. Previously we found that the deflagration is insufficient to unbind the star. Expansion shuts off the flame; much of this small production of iron group nuclei occurs at lower densities, which reduces the electron-capture problem. Because the degenerate star has an adiabatic exponent only slightly above 4/3, the energy released by deflagration drives a pulsation of large amplitude. During the first expansion phase, adiabatic cooling shuts off the burning, and a Rayleigh-Taylor instability then gives mixing of high-entropy ashes with low-entropy fuel. During the first contraction phase, compressional heating reignites the material. The burning was allowed to develop into a detonation in these nonspherical models. The detonation grows toward spherical symmetry at late times. At these densities (rho approx. 10(exp 7) to 10(exp 8) g cm(exp -3)), either Ni-56 or nuclei of the Si-Ca group are the dominant products of the burning. The bulk yields are sensitive to the density of the star when the transition to detonation occurs. The relevance of the abundances, velocities, mixing, and total energy release to the theory and interpretation of Type Ia supernovae is discussed.

Experimental determination of Ramsey numbers.

PubMed

Bian, Zhengbing; Chudak, Fabian; Macready, William G; Clark, Lane; Gaitan, Frank

2013-09-27

Ramsey theory is a highly active research area in mathematics that studies the emergence of order in large disordered structures. Ramsey numbers mark the threshold at which order first appears and are extremely difficult to calculate due to their explosive rate of growth. Recently, an algorithm that can be implemented using adiabatic quantum evolution has been proposed that calculates the two-color Ramsey numbers R(m,n). Here we present results of an experimental implementation of this algorithm and show that it correctly determines the Ramsey numbers R(3,3) and R(m,2) for 4≤m≤8. The R(8,2) computation used 84 qubits of which 28 were computational qubits. This computation is the largest experimental implementation of a scientifically meaningful adiabatic evolution algorithm that has been done to date.

Experimental Determination of Ramsey Numbers

NASA Astrophysics Data System (ADS)

Bian, Zhengbing; Chudak, Fabian; Macready, William G.; Clark, Lane; Gaitan, Frank

2013-09-01

Ramsey theory is a highly active research area in mathematics that studies the emergence of order in large disordered structures. Ramsey numbers mark the threshold at which order first appears and are extremely difficult to calculate due to their explosive rate of growth. Recently, an algorithm that can be implemented using adiabatic quantum evolution has been proposed that calculates the two-color Ramsey numbers R(m,n). Here we present results of an experimental implementation of this algorithm and show that it correctly determines the Ramsey numbers R(3,3) and R(m,2) for 4≤m≤8. The R(8,2) computation used 84 qubits of which 28 were computational qubits. This computation is the largest experimental implementation of a scientifically meaningful adiabatic evolution algorithm that has been done to date.

The delayed-detonation model of a type Ia supernovae. 1: The deflagration phase

NASA Technical Reports Server (NTRS)

Arnett, David; Livne, Eli

1994-01-01

The nature of the 'delayed detonation' mechanism of Khokhlov for the explosion of Type Ia supernovae is investigated by using two-dimensional numerical hydrodynamics simulations. A new algorithm is used to treat the deflagration front. Assuming that it propagates locally at the laminar flame speed, the deflagration is insufficient to unbind the star. Expansion shuts of the flame; much of this small production of iron group nuclei occurs at lower densities, which reduces the electron-capture problem. The burning front does become wrinkled, but the wavelength of the instability is much larger than the computational grid size and is resolved; this is consistent with previous analysis. Because the degenerate star has an adiabatic exponent only slightly above 4/3, the energy released by deflagration drives a pulsation of large amplitude. During the first expansion phase, adiabatic cooling shuts off the burning, and a Rayleigh-Taylor instability then gives mixing of high-entropy ashes with low-entropy fuel. During the first contraction phase, compressional heating reignites the material. This paper deals with the deflagration phase, from the onset of burning, through expansion and quenching of the flame, to the first contraction.

Synthesis and Explosive Consolidation of Titanium, Aluminium, Boron and Carbon Containing Powders

NASA Astrophysics Data System (ADS)

Chikhradze, Mikheil; Oniashvili, George; Chikhradze, Nikoloz; D. S Marquis, Fernand

2016-10-01

The development of modern technologies in the field of materials science has increased the interest towards the bulk materials with improved physical, chemical and mechanical properties. Composites, fabricated in Ti-Al-B-C systems are characterized by unique physical and mechanical properties. They are attractive for aerospace, power engineering, machine and chemical applications. The technologies to fabricate ultrafine grained powder and bulk materials in Ti-Al-B-C system are described in the paper. It includes results of theoretical and experimental investigation for selection of powders composition and determination of thermodynamic conditions for bland preparation, as well as optimal technological parameters for mechanical alloying and adiabatic compaction. The crystalline coarse Ti, Al, C powders and amorphous B were used as precursors and blends with different compositions of Ti-Al, Ti-Al-C, Ti-B-C and Ti-Al-B were prepared. Preliminary determination/selection of blend compositions was made on the basis of phase diagrams. The powders were mixed according to the selected ratios of components to produce the blend. Blends were processed in “Fritsch” Planetary premium line ball mill for mechanical alloying, syntheses of new phases, amorphization and ultrafine powder production. The blends processing time was variable: 1 to 20 hours. The optimal technological regimes of nano blend preparation were determined experimentally. Ball milled nano blends were placed in metallic tube and loaded by shock waves for realization of consolidation in adiabatic regime. The structure and properties of the obtained ultrafine grained materials depending on the processing parameters are investigated and discussed. For consolidation of the mixture, explosive compaction technology is applied at room temperatures. The prepared mixtures were located in low carbon steel tube and blast energies were used for explosive consolidation compositions. The relationship of ball milling technological parameters and explosive consolidation conditions on the structure/properties of the obtained samples are described in the paper.

Consistency of the adiabatic theorem.

PubMed

Amin, M H S

2009-06-05

The adiabatic theorem provides the basis for the adiabatic model of quantum computation. Recently the conditions required for the adiabatic theorem to hold have become a subject of some controversy. Here we show that the reported violations of the adiabatic theorem all arise from resonant transitions between energy levels. In the absence of fast driven oscillations the traditional adiabatic theorem holds. Implications for adiabatic quantum computation are discussed.

Quantum adiabatic computation and adiabatic conditions

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

Wei Zhaohui; Ying Mingsheng

2007-08-15

Recently, quantum adiabatic computation has attracted more and more attention in the literature. It is a novel quantum computation model based on adiabatic approximation, and the analysis of a quantum adiabatic algorithm depends highly on the adiabatic conditions. However, it has been pointed out that the traditional adiabatic conditions are problematic. Thus, results obtained previously should be checked and sufficient adiabatic conditions applicable to adiabatic computation should be proposed. Based on a result of Tong et al. [Phys. Rev. Lett. 98, 150402 (2007)], we propose a modified adiabatic criterion which is more applicable to the analysis of adiabatic algorithms. Asmore » an example, we prove the validity of the local adiabatic search algorithm by employing our criterion.« less

Quantum gates with controlled adiabatic evolutions

NASA Astrophysics Data System (ADS)

Hen, Itay

2015-02-01

We introduce a class of quantum adiabatic evolutions that we claim may be interpreted as the equivalents of the unitary gates of the quantum gate model. We argue that these gates form a universal set and may therefore be used as building blocks in the construction of arbitrary "adiabatic circuits," analogously to the manner in which gates are used in the circuit model. One implication of the above construction is that arbitrary classical boolean circuits as well as gate model circuits may be directly translated to adiabatic algorithms with no additional resources or complexities. We show that while these adiabatic algorithms fail to exhibit certain aspects of the inherent fault tolerance of traditional quantum adiabatic algorithms, they may have certain other experimental advantages acting as quantum gates.

Alignment, orientation, and Coulomb explosion of difluoroiodobenzene studied with the pixel imaging mass spectrometry (PImMS) camera.

PubMed

Amini, Kasra; Boll, Rebecca; Lauer, Alexandra; Burt, Michael; Lee, Jason W L; Christensen, Lauge; Brauβe, Felix; Mullins, Terence; Savelyev, Evgeny; Ablikim, Utuq; Berrah, Nora; Bomme, Cédric; Düsterer, Stefan; Erk, Benjamin; Höppner, Hauke; Johnsson, Per; Kierspel, Thomas; Krecinic, Faruk; Küpper, Jochen; Müller, Maria; Müller, Erland; Redlin, Harald; Rouzée, Arnaud; Schirmel, Nora; Thøgersen, Jan; Techert, Simone; Toleikis, Sven; Treusch, Rolf; Trippel, Sebastian; Ulmer, Anatoli; Wiese, Joss; Vallance, Claire; Rudenko, Artem; Stapelfeldt, Henrik; Brouard, Mark; Rolles, Daniel

2017-07-07

Laser-induced adiabatic alignment and mixed-field orientation of 2,6-difluoroiodobenzene (C 6 H 3 F 2 I) molecules are probed by Coulomb explosion imaging following either near-infrared strong-field ionization or extreme-ultraviolet multi-photon inner-shell ionization using free-electron laser pulses. The resulting photoelectrons and fragment ions are captured by a double-sided velocity map imaging spectrometer and projected onto two position-sensitive detectors. The ion side of the spectrometer is equipped with a pixel imaging mass spectrometry camera, a time-stamping pixelated detector that can record the hit positions and arrival times of up to four ions per pixel per acquisition cycle. Thus, the time-of-flight trace and ion momentum distributions for all fragments can be recorded simultaneously. We show that we can obtain a high degree of one-and three-dimensional alignment and mixed-field orientation and compare the Coulomb explosion process induced at both wavelengths.

Relaxation versus adiabatic quantum steady-state preparation

NASA Astrophysics Data System (ADS)

Venuti, Lorenzo Campos; Albash, Tameem; Marvian, Milad; Lidar, Daniel; Zanardi, Paolo

2017-04-01

Adiabatic preparation of the ground states of many-body Hamiltonians in the closed-system limit is at the heart of adiabatic quantum computation, but in reality systems are always open. This motivates a natural comparison between, on the one hand, adiabatic preparation of steady states of Lindbladian generators and, on the other hand, relaxation towards the same steady states subject to the final Lindbladian of the adiabatic process. In this work we thus adopt the perspective that the goal is the most efficient possible preparation of such steady states, rather than ground states. Using known rigorous bounds for the open-system adiabatic theorem and for mixing times, we are then led to a disturbing conclusion that at first appears to doom efforts to build physical quantum annealers: relaxation seems to always converge faster than adiabatic preparation. However, by carefully estimating the adiabatic preparation time for Lindbladians describing thermalization in the low-temperature limit, we show that there is, after all, room for an adiabatic speedup over relaxation. To test the analytically derived bounds for the adiabatic preparation time and the relaxation time, we numerically study three models: a dissipative quasifree fermionic chain, a single qubit coupled to a thermal bath, and the "spike" problem of n qubits coupled to a thermal bath. Via these models we find that the answer to the "which wins" question depends for each model on the temperature and the system-bath coupling strength. In the case of the "spike" problem we find that relaxation during the adiabatic evolution plays an important role in ensuring a speedup over the final-time relaxation procedure. Thus, relaxation-assisted adiabatic preparation can be more efficient than both pure adiabatic evolution and pure relaxation.

Simulating a topological transition in a superconducting phase qubit by fast adiabatic trajectories

NASA Astrophysics Data System (ADS)

Wang, Tenghui; Zhang, Zhenxing; Xiang, Liang; Gong, Zhihao; Wu, Jianlan; Yin, Yi

2018-04-01

The significance of topological phases has been widely recognized in the community of condensed matter physics. The well controllable quantum systems provide an artificial platform to probe and engineer various topological phases. The adiabatic trajectory of a quantum state describes the change of the bulk Bloch eigenstates with the momentum, and this adiabatic simulation method is however practically limited due to quantum dissipation. Here we apply the "shortcut to adiabaticity" (STA) protocol to realize fast adiabatic evolutions in the system of a superconducting phase qubit. The resulting fast adiabatic trajectories illustrate the change of the bulk Bloch eigenstates in the Su-Schrieffer-Heeger (SSH) model. A sharp transition is experimentally determined for the topological invariant of a winding number. Our experiment helps identify the topological Chern number of a two-dimensional toy model, suggesting the applicability of the fast adiabatic simulation method for topological systems.

Shock initiation of explosives: High temperature hot spots explained

NASA Astrophysics Data System (ADS)

Bassett, Will P.; Johnson, Belinda P.; Neelakantan, Nitin K.; Suslick, Kenneth S.; Dlott, Dana D.

2017-08-01

We investigated the shock initiation of energetic materials with a tabletop apparatus that uses km s-1 laser-driven flyer plates to initiate tiny explosive charges and obtains complete temperature histories with a high dynamic range. By comparing various microstructured formulations, including a pentaerythritol tetranitrate (PETN) based plastic explosive (PBX) denoted XTX-8003, we determined that micron-scale pores were needed to create high hot spot temperatures. In charges where micropores (i.e., micron-sized pores) were present, a hot spot temperature of 6000 K was observed; when the micropores were pre-compressed to nm scale, however, the hot spot temperature dropped to ˜4000 K. By comparing XTX-8003 with an analog that replaced PETN by nonvolatile silica, we showed that the high temperatures require gas in the pores, that the high temperatures were created by adiabatic gas compression, and that the temperatures observed can be controlled by the choice of ambient gases. The hot spots persist in shock-compressed PBXs even in vacuum because the initially empty pores became filled with gas created in-situ by shock-induced chemical decomposition.

Assessment of total efficiency in adiabatic engines

NASA Astrophysics Data System (ADS)

Mitianiec, W.

2016-09-01

The paper presents influence of ceramic coating in all surfaces of the combustion chamber of SI four-stroke engine on working parameters mainly on heat balance and total efficiency. Three cases of engine were considered: standard without ceramic coating, fully adiabatic combustion chamber and engine with different thickness of ceramic coating. Consideration of adiabatic or semi-adiabatic engine was connected with mathematical modelling of heat transfer from the cylinder gas to the cooling medium. This model takes into account changeable convection coefficient based on the experimental formulas of Woschni, heat conductivity of multi-layer walls and also small effect of radiation in SI engines. The simulation model was elaborated with full heat transfer to the cooling medium and unsteady gas flow in the engine intake and exhaust systems. The computer program taking into account 0D model of engine processes in the cylinder and 1D model of gas flow was elaborated for determination of many basic engine thermodynamic parameters for Suzuki DR-Z400S 400 cc SI engine. The paper presents calculation results of influence of the ceramic coating thickness on indicated pressure, specific fuel consumption, cooling and exhaust heat losses. Next it were presented comparisons of effective power, heat losses in the cooling and exhaust systems, total efficiency in function of engine rotational speed and also comparison of temperature inside the cylinder for standard, semi-adiabatic and full adiabatic engine. On the basis of the achieved results it was found higher total efficiency of adiabatic engines at 2500 rpm from 27% for standard engine to 37% for full adiabatic engine.

Correlated adiabatic and isocurvature cosmic microwave background fluctuations in the wake of the results from the wilkinson microwave anisotropy probe.

PubMed

Väliviita, Jussi; Muhonen, Vesa

2003-09-26

In general correlated models, in addition to the usual adiabatic component with a spectral index n(ad1) there is another adiabatic component with a spectral index n(ad2) generated by entropy perturbation during inflation. We extend the analysis of a correlated mixture of adiabatic and isocurvature cosmic microwave background fluctuations of the Wilkinson Microwave Anisotropy Probe (WMAP) group, who set the two adiabatic spectral indices equal. Allowing n(ad1) and n(ad2) to vary independently we find that the WMAP data favor models where the two adiabatic components have opposite spectral tilts. Using the WMAP data only, the 2sigma upper bound for the isocurvature fraction f(iso) of the initial power spectrum at k(0)=0.05 Mpc(-1) increases somewhat, e.g., from 0.76 of n(ad2)=n(ad1) models to 0.84 with a prior n(iso)<1.84 for the isocurvature spectral index.

Simulation and theory of spontaneous TAE frequency sweeping

NASA Astrophysics Data System (ADS)

Wang, Ge; Berk, H. L.

2012-09-01

A simulation model, based on the linear tip model of Rosenbluth, Berk and Van Dam (RBV), is developed to study frequency sweeping of toroidal Alfvén eigenmodes (TAEs). The time response of the background wave in the RBV model is given by a Volterra integral equation. This model captures the properties of TAE waves both in the gap and in the continuum. The simulation shows that phase space structures form spontaneously at frequencies close to the linearly predicted frequency, due to resonant particle-wave interactions and background dissipation. The frequency sweeping signals are found to chirp towards the upper and lower continua. However, the chirping signals penetrate only the lower continuum, whereupon the frequency chirps and mode amplitude increases in synchronism to produce an explosive solution. An adiabatic theory describing the evolution of a chirping signal is developed which replicates the chirping dynamics of the simulation in the lower continuum. This theory predicts that a decaying chirping signal will terminate at the upper continuum though in the numerical simulation the hole disintegrates before the upper continuum is reached.

Generalized shortcuts to adiabaticity and enhanced robustness against decoherence

NASA Astrophysics Data System (ADS)

Santos, Alan C.; Sarandy, Marcelo S.

2018-01-01

Shortcuts to adiabaticity provide a general approach to mimic adiabatic quantum processes via arbitrarily fast evolutions in Hilbert space. For these counter-diabatic evolutions, higher speed comes at higher energy cost. Here, the counter-diabatic theory is employed as a minimal energy demanding scheme for speeding up adiabatic tasks. As a by-product, we show that this approach can be used to obtain infinite classes of transitionless models, including time-independent Hamiltonians under certain conditions over the eigenstates of the original Hamiltonian. We apply these results to investigate shortcuts to adiabaticity in decohering environments by introducing the requirement of a fixed energy resource. In this scenario, we show that generalized transitionless evolutions can be more robust against decoherence than their adiabatic counterparts. We illustrate this enhanced robustness both for the Landau-Zener model and for quantum gate Hamiltonians.

Temperature and pressure influence on maximum rates of pressure rise during explosions of propane-air mixtures in a spherical vessel.

PubMed

Razus, D; Brinzea, V; Mitu, M; Movileanu, C; Oancea, D

2011-06-15

The maximum rates of pressure rise during closed vessel explosions of propane-air mixtures are reported, for systems with various initial concentrations, pressures and temperatures ([C(3)H(8)]=2.50-6.20 vol.%, p(0)=0.3-1.3 bar; T(0)=298-423 K). Experiments were performed in a spherical vessel (Φ=10 cm) with central ignition. The deflagration (severity) index K(G), calculated from experimental values of maximum rates of pressure rise is examined against the adiabatic deflagration index, K(G, ad), computed from normal burning velocities and peak explosion pressures. At constant temperature and fuel/oxygen ratio, both the maximum rates of pressure rise and the deflagration indices are linear functions of total initial pressure, as reported for other fuel-air mixtures. At constant initial pressure and composition, the maximum rates of pressure rise and deflagration indices are slightly influenced by the initial temperature; some influence of the initial temperature on maximum rates of pressure rise is observed only for propane-air mixtures far from stoichiometric composition. The differentiated temperature influence on the normal burning velocities and the peak explosion pressures might explain this behaviour. Copyright © 2011 Elsevier B.V. All rights reserved.

Simple proof of equivalence between adiabatic quantum computation and the circuit model.

PubMed

Mizel, Ari; Lidar, Daniel A; Mitchell, Morgan

2007-08-17

We prove the equivalence between adiabatic quantum computation and quantum computation in the circuit model. An explicit adiabatic computation procedure is given that generates a ground state from which the answer can be extracted. The amount of time needed is evaluated by computing the gap. We show that the procedure is computationally efficient.

Spallative nucleosynthesis in supernova remnants. II. Time-dependent numerical results

NASA Astrophysics Data System (ADS)

Parizot, Etienne; Drury, Luke

1999-06-01

We calculate the spallative production of light elements associated with the explosion of an isolated supernova in the interstellar medium, using a time-dependent model taking into account the dilution of the ejected enriched material and the adiabatic energy losses. We first derive the injection function of energetic particles (EPs) accelerated at both the forward and the reverse shock, as a function of time. Then we calculate the Be yields obtained in both cases and compare them to the value implied by the observational data for metal-poor stars in the halo of our Galaxy, using both O and Fe data. We find that none of the processes investigated here can account for the amount of Be found in these stars, which confirms the analytical results of Parizot & Drury (1999). We finally analyze the consequences of these results for Galactic chemical evolution, and suggest that a model involving superbubbles might alleviate the energetics problem in a quite natural way.

The efficiency of combustion turbines with constant-pressure combustion

NASA Technical Reports Server (NTRS)

Piening, Werner

1941-01-01

Of the two fundamental cycles employed in combustion turbines, namely, the explosion (or constant-volume) cycle and the constant-pressure cycle, the latter is considered more in detail and its efficiency is derived with the aid of the cycle diagrams for the several cases with adiabatic and isothermal compression and expansion strokes and with and without utilization of the exhaust heat. Account is also taken of the separate efficiencies of the turbine and compressor and of the pressure losses and heat transfer in the piping. The results show that without the utilization of the exhaust heat the efficiencies for the two cases of adiabatic and isothermal compression is offset by the increase in the heat supplied. It may be seen from the curves that it is necessary to attain separate efficiencies of at least 80 percent in order for useful results to be obtained. There is further shown the considerable effect on the efficiency of pressure losses in piping or heat exchangers.

Adiabatic cooling processes in frustrated magnetic systems with pyrochlore structure

NASA Astrophysics Data System (ADS)

Jurčišinová, E.; Jurčišin, M.

2017-11-01

We investigate in detail the process of adiabatic cooling in the framework of the exactly solvable antiferromagnetic spin-1/2 Ising model in the presence of the external magnetic field on an approximate lattice with pyrochlore structure. The behavior of the entropy of the model is studied and exact values of the residual entropies of all ground states are found. The temperature variation of the system under adiabatic (de)magnetization is investigated and the central role of the macroscopically degenerated ground states in cooling processes is explicitly demonstrated. It is shown that the model parameter space of the studied geometrically frustrated system is divided into five disjunct regions with qualitatively different processes of the adiabatic cooling. The effectiveness of the adiabatic (de)magnetization cooling in the studied model is compared to the corresponding processes in paramagnetic salts. It is shown that the processes of the adiabatic cooling in the antiferromagnetic frustrated systems are much more effective especially in nonzero external magnetic fields. It means that the frustrated magnetic materials with pyrochlore structure can be considered as very promising refrigerants mainly in the situations with nonzero final values of the magnetic field.

Adiabatic cooling processes in frustrated magnetic systems with pyrochlore structure.

PubMed

Jurčišinová, E; Jurčišin, M

2017-11-01

We investigate in detail the process of adiabatic cooling in the framework of the exactly solvable antiferromagnetic spin-1/2 Ising model in the presence of the external magnetic field on an approximate lattice with pyrochlore structure. The behavior of the entropy of the model is studied and exact values of the residual entropies of all ground states are found. The temperature variation of the system under adiabatic (de)magnetization is investigated and the central role of the macroscopically degenerated ground states in cooling processes is explicitly demonstrated. It is shown that the model parameter space of the studied geometrically frustrated system is divided into five disjunct regions with qualitatively different processes of the adiabatic cooling. The effectiveness of the adiabatic (de)magnetization cooling in the studied model is compared to the corresponding processes in paramagnetic salts. It is shown that the processes of the adiabatic cooling in the antiferromagnetic frustrated systems are much more effective especially in nonzero external magnetic fields. It means that the frustrated magnetic materials with pyrochlore structure can be considered as very promising refrigerants mainly in the situations with nonzero final values of the magnetic field.

Detonation Energies of Explosives by Optimized JCZ3 Procedures

NASA Astrophysics Data System (ADS)

Stiel, Leonard; Baker, Ernest

1997-07-01

Procedures for the detonation properties of explosives have been extended for the calculation of detonation energies at adiabatic expansion conditions. Advanced variable metric optimization routines developed by ARDEC are utilized to establish chemical reaction equilibrium by the minimization of the Helmholtz free energy of the system. The use of the JCZ3 equation of state with optimized Exp-6 potential parameters leads to lower errors in JWL detonation energies than the TIGER JCZ3 procedure and other methods tested for relative volumes to 7.0. For the principal isentrope with C-J parameters and freeze conditions established at elevated pressures with the JCZ3 equation of state, best results are obtained if an alternate volumetric relationship is utilized at the highest expansions. Efficient subroutines (designated JAGUAR) have been developed which incorporate the ability to automatically generate JWL and JWLB equation of state parameters. abstract.

On the analysis of shock implosion

NASA Astrophysics Data System (ADS)

Mishkin, Eli A.; Alejaldre, Carlos

1984-06-01

An imploding shock wave, coming from infinity, moves through an ideal gas with the adiabatic constant γ. To define a single-valued self-similar coefficient λ(γ), over the whole classical interval 1 < γ < ∞, its boundary values λ(1), λ(∞) are deduced. The conservation equations, cast in form of quadratics, exhibit their singular points P,M,M‧. At P the pressure is maximum, at M the velocity of the gas U1, minus ξ, equals the speed of sound C, at M‧ there is a linear relationship between U1, U˙1 and C. The representative curve of the compressed gas passes analytically through all of them. The relative position of P, M, M‧ leads to three solutions of the quadratic conservation equations. Representative curves of the state of the imploded gas, at various values of γ, are shown. The errors associated with the idealized models of implosion and explosion are evaluated.

Dark energy and dark matter from an additional adiabatic fluid

NASA Astrophysics Data System (ADS)

Dunsby, Peter K. S.; Luongo, Orlando; Reverberi, Lorenzo

2016-10-01

The dark sector is described by an additional barotropic fluid which evolves adiabatically during the Universe's history and whose adiabatic exponent γ is derived from the standard definitions of specific heats. Although in general γ is a function of the redshift, the Hubble parameter and its derivatives, we find that our assumptions lead necessarily to solutions with γ =constant in a Friedmann-Lemaître-Robertson-Walker universe. The adiabatic fluid acts effectively as the sum of two distinct components, one evolving like nonrelativistic matter and the other depending on the value of the adiabatic index. This makes the model particularly interesting as a way of simultaneously explaining the nature of both dark energy and dark matter, at least at the level of the background cosmology. The Λ CDM model is included in this family of theories when γ =0 . We fit our model to supernovae Ia, H (z ) and baryonic acoustic oscillation data, discussing the model selection criteria. The implications for the early Universe and the growth of small perturbations in this model are also discussed.

Architectures and Applications for Scalable Quantum Information Systems

DTIC Science & Technology

2007-01-01

quantum computation models, such as adiabatic quantum computing , can be converted to quantum circuits. Therefore, in our design flow’s first phase...vol. 26, no. 5, pp. 1484–1509, 1997. [19] A. Childs, E. Farhi, and J. Preskill, “Robustness of adiabatic quantum computation ,” Phys. Rev. A, vol. 65...magnetic resonance computer with three quantum bits that simulates an adiabatic quantum optimization algorithm. Adiabatic

MODULES FOR EXPERIMENTS IN STELLAR ASTROPHYSICS (MESA): BINARIES, PULSATIONS, AND EXPLOSIONS

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

Paxton, Bill; Bildsten, Lars; Cantiello, Matteo

We substantially update the capabilities of the open-source software instrument Modules for Experiments in Stellar Astrophysics (MESA). MESA can now simultaneously evolve an interacting pair of differentially rotating stars undergoing transfer and loss of mass and angular momentum, greatly enhancing the prior ability to model binary evolution. New MESA capabilities in fully coupled calculation of nuclear networks with hundreds of isotopes now allow MESA to accurately simulate the advanced burning stages needed to construct supernova progenitor models. Implicit hydrodynamics with shocks can now be treated with MESA, enabling modeling of the entire massive star lifecycle, from pre-main-sequence evolution to themore » onset of core collapse and nucleosynthesis from the resulting explosion. Coupling of the GYRE non-adiabatic pulsation instrument with MESA allows for new explorations of the instability strips for massive stars while also accelerating the astrophysical use of asteroseismology data. We improve the treatment of mass accretion, giving more accurate and robust near-surface profiles. A new MESA capability to calculate weak reaction rates “on-the-fly” from input nuclear data allows better simulation of accretion induced collapse of massive white dwarfs and the fate of some massive stars. We discuss the ongoing challenge of chemical diffusion in the strongly coupled plasma regime, and exhibit improvements in MESA that now allow for the simulation of radiative levitation of heavy elements in hot stars. We close by noting that the MESA software infrastructure provides bit-for-bit consistency for all results across all the supported platforms, a profound enabling capability for accelerating MESA's development.« less

Relativistic shock breakout from a stellar wind

NASA Astrophysics Data System (ADS)

Granot, Alon; Nakar, Ehud; Levinson, Amir

2018-06-01

We construct an analytic model for the breakout of a relativistic radiation mediated shock from a stellar wind, and exploit it to calculate the observational diagnostics of the breakout signal. The model accounts for photon escape through the finite optical depth wind, and treats the fraction of downstream photons escaping to infinity as an adiabatic parameter that evolves in a quasi-steady manner. It is shown that the shock is mediated by radiation even when a large fraction of the downstream photons escape, owing to self-generation and adjustment of opacity through accelerated pair creation. Relativistic breakout occurs at radii at which the total optical depth of the wind ahead of the shock is ˜(me/mp)Γsh, provided that the local shock Lorentz factor Γsh exceeds unity at this location. Otherwise the breakout occurs in the Newtonian regime. A relativistic breakout is expected in a highly energetic spherical explosion (1052-1053 erg) of a Wolf-Rayet star, or in cases where a smaller amount of energy (˜1051 erg) is deposited by a jet in the outer layers of the star. The properties of the emission observed in such explosions during the relativistic breakout are derived. We find that for typical parameters about 1048 ergs are radiated in the form of MeV gamma-rays over a duration that can range from a fraction of a second to an hour. Such a signal may be detectable out to 10-100 Mpc by current gamma-ray satellites.

Piecewise adiabatic following in non-Hermitian cycling

NASA Astrophysics Data System (ADS)

Gong, Jiangbin; Wang, Qing-hai

2018-05-01

The time evolution of periodically driven non-Hermitian systems is in general nonunitary but can be stable. It is hence of considerable interest to examine the adiabatic following dynamics in periodically driven non-Hermitian systems. We show in this work the possibility of piecewise adiabatic following interrupted by hopping between instantaneous system eigenstates. This phenomenon is first observed in a computational model and then theoretically explained, using an exactly solvable model, in terms of the Stokes phenomenon. In the latter case, the piecewise adiabatic following is shown to be a genuine critical behavior and the precise phase boundary in the parameter space is located. Interestingly, the critical boundary for piecewise adiabatic following is found to be unrelated to the domain for exceptional points. To characterize the adiabatic following dynamics, we also advocate a simple definition of the Aharonov-Anandan (AA) phase for nonunitary cyclic dynamics, which always yields real AA phases. In the slow driving limit, the AA phase reduces to the Berry phase if adiabatic following persists throughout the driving without hopping, but oscillates violently and does not approach any limit in cases of piecewise adiabatic following. This work exposes the rich features of nonunitary dynamics in cases of slow cycling and should stimulate future applications of nonunitary dynamics.

Communication: Adiabatic and non-adiabatic electron-nuclear motion: Quantum and classical dynamics

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

Albert, Julian; Kaiser, Dustin; Engel, Volker

2016-05-07

Using a model for coupled electronic-nuclear motion we investigate the range from negligible to strong non-adiabatic coupling. In the adiabatic case, the quantum dynamics proceeds in a single electronic state, whereas for strong coupling a complete transition between two adiabatic electronic states takes place. It is shown that in all coupling regimes the short-time wave-packet dynamics can be described using ensembles of classical trajectories in the phase space spanned by electronic and nuclear degrees of freedom. We thus provide an example which documents that the quantum concept of non-adiabatic transitions is not necessarily needed if electronic and nuclear motion ismore » treated on the same footing.« less

Analytical skin friction and heat transfer formula for compressible internal flows

NASA Technical Reports Server (NTRS)

Dechant, Lawrence J.; Tattar, Marc J.

1994-01-01

An analytic, closed-form friction formula for turbulent, internal, compressible, fully developed flow was derived by extending the incompressible law-of-the-wall relation to compressible cases. The model is capable of analyzing heat transfer as a function of constant surface temperatures and surface roughness as well as analyzing adiabatic conditions. The formula reduces to Prandtl's law of friction for adiabatic, smooth, axisymmetric flow. In addition, the formula reduces to the Colebrook equation for incompressible, adiabatic, axisymmetric flow with various roughnesses. Comparisons with available experiments show that the model averages roughly 12.5 percent error for adiabatic flow and 18.5 percent error for flow involving heat transfer.

Reaction path of energetic materials using THOR code

NASA Astrophysics Data System (ADS)

Duraes, L.; Campos, J.; Portugal, A.

1997-07-01

The method of predicting reaction path, using a thermochemical computer code, named THOR, allows for isobar and isochor adiabatic combustion and CJ detonation regimes, the calculation of the composition and thermodynamic properties of reaction products of energetic materials. THOR code assumes the thermodynamic equilibria of all possible products, for the minimum Gibbs free energy, using a thermal equation of state (EoS). The used HL EoS is a new EoS developed in previous works. HL EoS is supported by a Boltzmann EoS, taking α =13.5 to the exponent of the intermolecular potential and θ=1.4 to the adimensional temperature. This code allows now the possibility of estimating various sets of reaction products, obtained successively by the decomposition of the original reacting compound, as a function of the released energy. Two case studies of thermal decomposition procedure were selected, described, calculated and discussed - Ammonium Nitrate based explosives and Nitromethane - because they are very known explosives and their equivalence ratio is respectively near and greater than the stoicheiometry. Predictions of detonation properties of other condensed explosives, as a function of energy release, present results in good correlation with experimental values.

Electron and nuclear dynamics of molecular clusters in ultraintense laser fields. III. Coulomb explosion of deuterium clusters.

PubMed

Last, Isidore; Jortner, Joshua

2004-08-15

In this paper we present a theoretical and computational study of the energetics and temporal dynamics of Coulomb explosion of molecular clusters of deuterium (D2)n/2 (n = 480 - 7.6 x 10(4), cluster radius R0 = 13.1 - 70 A) in ultraintense laser fields (laser peak intensity I = 10(15) - 10(20)W cm(-2)). The energetics of Coulomb explosion was inferred from the dependence of the maximal energy EM and the average energy Eav of the product D+ ions on the laser intensity, the laser pulse shape, the cluster radius, and the laser frequency. Electron dynamics of outer cluster ionization and nuclear dynamics of Coulomb explosion were investigated by molecular dynamics simulations. Several distinct laser pulse shape envelopes, involving a rectangular field, a Gaussian field, and a truncated Gaussian field, were employed to determine the validity range of the cluster vertical ionization (CVI) approximation. The CVI predicts that Eav, EM proportional to R0(2) and that the energy distribution is P(E) proportional to E1/2. For a rectangular laser pulse the CVI conditions are satisfied when complete outer ionization is obtained, with the outer ionization time toi being shorter than both the pulse width and the cluster radius doubling time tau2. By increasing toi, due to the increase of R0 or the decrease of I, we have shown that the deviation of Eav from the corresponding CVI value (Eav(CVI)) is (Eav(CVI) - Eav)/Eav(CVI) approximately (toi/2.91tau2)2. The Gaussian pulses trigger outer ionization induced by adiabatic following of the laser field and of the cluster size, providing a pseudo-CVI behavior at sufficiently large laser fields. The energetics manifest the existence of a finite range of CVI size dependence, with the validity range for the applicability of the CVI being R0 < or = (R0)I, with (R0)I representing an intensity dependent boundary radius. Relating electron dynamics of outer ionization to nuclear dynamics for Coulomb explosion induced by a Gaussian pulse, the boundary radius (R0)I and the corresponding ion average energy (Eav)I were inferred from simulations and described in terms of an electrostatic model. Two independent estimates of (R0)I, which involve the cluster size where the CVI relation breaks down and the cluster size for the attainment of complete outer ionization, are in good agreement with each other, as well as with the electrostatic model for cluster barrier suppression. The relation (Eav)I proportional to (R0)I(2) provides the validity range of the pseudo-CVI domain for the cluster sizes and laser intensities, where the energetics of D+ ions produced by Coulomb explosion of (D)n clusters is optimized. The currently available experimental data [Madison et al., Phys. Plasmas 11, 1 (2004)] for the energetics of Coulomb explosion of (D)n clusters (Eav = 5 - 7 keV at I = 2 x 10(18) W cm(-2)), together with our simulation data, lead to the estimates of R0 = 51 - 60 A, which exceed the experimental estimate of R0 = 45 A. The predicted anisotropy of the D+ ion energies in the Coulomb explosion at I = 10(18) W cm(-2) is in accord with experiment. We also explored the laser frequency dependence of the energetics of Coulomb explosion in the range nu = 0.1 - 2.1 fs(-1) (lambda = 3000 - 140 nm), which can be rationalized in terms of the electrostatic model. (c) 2004 American Institute of Physics.

Predicting the effect of relaxation during frequency-selective adiabatic pulses

NASA Astrophysics Data System (ADS)

Pfaff, Annalise R.; McKee, Cailyn E.; Woelk, Klaus

2017-11-01

Adiabatic half and full passages are invaluable for achieving uniform, B1-insensitive excitation or inversion of macroscopic magnetization across a well-defined range of NMR frequencies. To accomplish narrow frequency ranges with adiabatic pulses (<100 Hz), long pulse durations at low RF power levels are necessary, and relaxation during these pulses may no longer be negligible. A numerical, discrete recursive combination of the Bloch equations for longitudinal and transverse relaxation with the optimized equation for adiabatic angular motion of magnetization is used to calculate the trajectory of magnetization including its relaxation during adiabatic hyperbolic secant pulses. The agreement of computer-calculated data with experimental results demonstrates that, in non-viscous, small-molecule fluids, it is possible to model magnetization and relaxation by considering standard T1 and T2 relaxation in the traditional rotating frame. The proposed model is aimed at performance optimizations of applications in which these pulses are employed. It differs from previous reports which focused on short high-power adiabatic pulses and relaxation that is governed by dipole-dipole interactions, cross polarization, or chemical exchange.

Deflagration-to-detonation transition in granular HMX

NASA Technical Reports Server (NTRS)

Campbell, A. W.

1980-01-01

Granular HMX of three degrees of fineness was packed into heavy-walled steel tubes closed at both ends. Ignition was obtained at one end using an intimate mixture of finely divided titanium and boron as an igniter that produced heat with little gas. The distance to detonation was determined by examination of the resulting tube fragments. By inserting tightly-fitted neoprene diaphragms periodically into the HMX column, it was shown that the role of convective combustion was limited to the initial stage of the deflagration to detonation (DDT) process. Experiments in which various combinations of two of the three types of HMX were loaded into the same tube showed that heating by adiabatic shear of explosive grains was an essential factor in the final buildup to detonation. A description of the DDT process is developed in which conductive burning is followed in turn by convective burning, bed collapse with plug formation, onset of accelerated burning at the front of the plug through heating by intercrystalline friction and adiabatic shear, and intense shock formation resulting in high-order detonation.

Theory of Mach reflection of detonation at glancing incidence

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

Bdzil, John Bohdan; Short, Mark

In this paper, we present a theory for Mach reflection of a detonation undergoing glancing incidence reflection off of a rigid wall. Our focus is on condensed-phase explosives, which we describe with a constant adiabatic gamma equation of state and an irreversible and either state-independent or weakly state-dependent reaction rate. We consider two detonation models: (1) the instantaneous reaction heat-release Chapman–Jouguet (CJ) limit and (2) the spatially resolved reaction heat-release Zeldovich–von Neumann–Dmore » $$\\ddot{Ø}$$ring (ZND) limit, where here we only consider that a small fraction of the detonation energy release is spatially resolved (the SRHR limit). We observe a three-shock reflection in the CJ limit case, with a Mach shock that is curved. In addition, we develop an analytical expression for the triple-point track angle as a function of the angle of incidence. For the SRHR model, we observe a smooth lead shock, akin to von Neumann reflection, with no reflected shock in the reaction zone. Only at larger angles of incidence is a three-shock Mach reflection observed.« less

Theory of Mach reflection of detonation at glancing incidence

DOE PAGES

Bdzil, John Bohdan; Short, Mark

2016-12-06

In this paper, we present a theory for Mach reflection of a detonation undergoing glancing incidence reflection off of a rigid wall. Our focus is on condensed-phase explosives, which we describe with a constant adiabatic gamma equation of state and an irreversible and either state-independent or weakly state-dependent reaction rate. We consider two detonation models: (1) the instantaneous reaction heat-release Chapman–Jouguet (CJ) limit and (2) the spatially resolved reaction heat-release Zeldovich–von Neumann–Dmore » $$\\ddot{Ø}$$ring (ZND) limit, where here we only consider that a small fraction of the detonation energy release is spatially resolved (the SRHR limit). We observe a three-shock reflection in the CJ limit case, with a Mach shock that is curved. In addition, we develop an analytical expression for the triple-point track angle as a function of the angle of incidence. For the SRHR model, we observe a smooth lead shock, akin to von Neumann reflection, with no reflected shock in the reaction zone. Only at larger angles of incidence is a three-shock Mach reflection observed.« less

Adiabatic Soliton Laser

NASA Astrophysics Data System (ADS)

Bednyakova, Anastasia; Turitsyn, Sergei K.

2015-03-01

The key to generating stable optical pulses is mastery of nonlinear light dynamics in laser resonators. Modern techniques to control the buildup of laser pulses are based on nonlinear science and include classical solitons, dissipative solitons, parabolic pulses (similaritons) and various modifications and blending of these methods. Fiber lasers offer remarkable opportunities to apply one-dimensional nonlinear science models for the design and optimization of very practical laser systems. Here, we propose a new concept of a laser based on the adiabatic amplification of a soliton pulse in the cavity—the adiabatic soliton laser. The adiabatic change of the soliton parameters during evolution in the resonator relaxes the restriction on the pulse energy inherent in traditional soliton lasers. Theoretical analysis is confirmed by extensive numerical modeling.

FAILURE OF A NEUTRINO-DRIVEN EXPLOSION AFTER CORE-COLLAPSE MAY LEAD TO A THERMONUCLEAR SUPERNOVA

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

Kushnir, Doron; Katz, Boaz, E-mail: kushnir@ias.edu

We demonstrate that ∼10 s after the core-collapse of a massive star, a thermonuclear explosion of the outer shells is possible for some (tuned) initial density and composition profiles, assuming that the neutrinos failed to explode the star. The explosion may lead to a successful supernova, as first suggested by Burbidge et al. We perform a series of one-dimensional (1D) calculations of collapsing massive stars with simplified initial density profiles (similar to the results of stellar evolution calculations) and various compositions (not similar to 1D stellar evolution calculations). We assume that the neutrinos escaped with a negligible effect on themore » outer layers, which inevitably collapse. As the shells collapse, they compress and heat up adiabatically, enhancing the rate of thermonuclear burning. In some cases, where significant shells of mixed helium and oxygen are present with pre-collapsed burning times of ≲100 s (≈10 times the free-fall time), a thermonuclear detonation wave is ignited, which unbinds the outer layers of the star, leading to a supernova. The energy released is small, ≲10{sup 50} erg, and negligible amounts of synthesized material (including {sup 56}Ni) are ejected, implying that these 1D simulations are unlikely to represent typical core-collapse supernovae. However, they do serve as a proof of concept that the core-collapse-induced thermonuclear explosions are possible, and more realistic two-dimensional and three-dimensional simulations are within current computational capabilities.« less

Energy consumption for shortcuts to adiabaticity

NASA Astrophysics Data System (ADS)

Torrontegui, E.; Lizuain, I.; González-Resines, S.; Tobalina, A.; Ruschhaupt, A.; Kosloff, R.; Muga, J. G.

2017-08-01

Shortcuts to adiabaticity let a system reach the results of a slow adiabatic process in a shorter time. We propose to quantify the "energy cost" of the shortcut by the energy consumption of the system enlarged by including the control device. A mechanical model where the dynamics of the system and control device can be explicitly described illustrates that a broad range of possible values for the consumption is possible, including zero (above the adiabatic energy increment) when friction is negligible and the energy given away as negative power is stored and reused by perfect regenerative braking.

Perpendicular Diffusion Coefficient of Comic Rays: The Presence of Weak Adiabatic Focusing

NASA Astrophysics Data System (ADS)

Wang, J. F.; Qin, G.; Ma, Q. M.; Song, T.; Yuan, S. B.

2017-08-01

The influence of adiabatic focusing on particle diffusion is an important topic in astrophysics and plasma physics. In the past, several authors have explored the influence of along-field adiabatic focusing on the parallel diffusion of charged energetic particles. In this paper, using the unified nonlinear transport theory developed by Shalchi and the method of He and Schlickeiser, we derive a new nonlinear perpendicular diffusion coefficient for a non-uniform background magnetic field. This formula demonstrates that the particle perpendicular diffusion coefficient is modified by along-field adiabatic focusing. For isotropic pitch-angle scattering and the weak adiabatic focusing limit, the derived perpendicular diffusion coefficient is independent of the sign of adiabatic focusing characteristic length. For the two-component model, we simplify the perpendicular diffusion coefficient up to the second order of the power series of the adiabatic focusing characteristic quantity. We find that the first-order modifying factor is equal to zero and that the sign of the second order is determined by the energy of the particles.

Quantum Otto heat engine with three-qubit XXZ model as working substance

NASA Astrophysics Data System (ADS)

Huang, X. L.; Sun, Qi; Guo, D. Y.; Yu, Qian

2018-02-01

A quantum Otto heat engine is established with a three-qubit Heisenberg XXZ model with Dzyaloshinskii-Moriya (DM) interaction under a homogeneous magnetic field as the working substance. The quantum Otto engine is composed of two quantum isochoric processes and two quantum adiabatic processes. Here we have restricted Bc /Bh =Jc /Jh = r in the two adiabatic processes, where r is the adiabatic compression ratio. The work output and efficiency are calculated for our cycle. The possible adiabatic compression ratios and the ratios of work output between our working substance and a single spin under the same external conditions in the Otto cycle are analyzed with different DM interaction parameters and anisotropic parameters. The effects of pairwise entanglements on the heat engine efficiency are discussed.

Kinetic Models for Adiabatic Reversible Expansion of a Monatomic Ideal Gas.

ERIC Educational Resources Information Center

Chang, On-Kok

1983-01-01

A fixed amount of an ideal gas is confined in an adiabatic cylinder and piston device. The relation between temperature and volume in initial/final phases can be derived from the first law of thermodynamics. However, the relation can also be derived based on kinetic models. Several of these models are discussed. (JN)

The Physics of Boundary-Layer Aero-Optic Effects

DTIC Science & Technology

2012-09-01

various models to predict aero-optical effects for both subsonic and supersonic Mach numbers, laser beam sizes and non- adiabatic walls. The developed...models to predict aero-optical effects for both subsonic and supersonic Mach numbers, laser beam sizes and non- adiabatic walls. The developed models were... Supersonic Facilities .................................................................................................... 8 3.3 2-D Wavefront Data

Stimulated Raman adiabatic passage in a three-level superconducting circuit

PubMed Central

Kumar, K. S.; Vepsäläinen, A.; Danilin, S.; Paraoanu, G. S.

2016-01-01

The adiabatic manipulation of quantum states is a powerful technique that opened up new directions in quantum engineering—enabling tests of fundamental concepts such as geometrical phases and topological transitions, and holding the promise of alternative models of quantum computation. Here we benchmark the stimulated Raman adiabatic passage for circuit quantum electrodynamics by employing the first three levels of a transmon qubit. In this ladder configuration, we demonstrate a population transfer efficiency >80% between the ground state and the second excited state using two adiabatic Gaussian-shaped control microwave pulses. By doing quantum tomography at successive moments during the Raman pulses, we investigate the transfer of the population in time domain. Furthermore, we show that this protocol can be reversed by applying a third adiabatic pulse, we study a hybrid nondiabatic–adiabatic sequence, and we present experimental results for a quasi-degenerate intermediate level. PMID:26902454

Stimulated Raman adiabatic passage in a three-level superconducting circuit.

PubMed

Kumar, K S; Vepsäläinen, A; Danilin, S; Paraoanu, G S

2016-02-23

The adiabatic manipulation of quantum states is a powerful technique that opened up new directions in quantum engineering--enabling tests of fundamental concepts such as geometrical phases and topological transitions, and holding the promise of alternative models of quantum computation. Here we benchmark the stimulated Raman adiabatic passage for circuit quantum electrodynamics by employing the first three levels of a transmon qubit. In this ladder configuration, we demonstrate a population transfer efficiency >80% between the ground state and the second excited state using two adiabatic Gaussian-shaped control microwave pulses. By doing quantum tomography at successive moments during the Raman pulses, we investigate the transfer of the population in time domain. Furthermore, we show that this protocol can be reversed by applying a third adiabatic pulse, we study a hybrid nondiabatic-adiabatic sequence, and we present experimental results for a quasi-degenerate intermediate level.

Effects of preheat and mix on the fuel adiabat of an imploding capsule

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

Cheng, B.; Kwan, T. J. T.; Wang, Y. M.

We demonstrate the effect of preheat, hydrodynamic mix and vorticity on the adiabat of the deuterium-tritium (DT) fuel in fusion capsule experiments. We show that the adiabat of the DT fuel increases resulting from hydrodynamic mixing due to the phenomenon of entropy of mixture. An upper limit of mix, M clean=M DT ≥ 0:98 is found necessary to keep the DT fuel on a low adiabat. We demonstrate in this study that the use of a high adiabat for the DT fuel in theoretical analysis and with the aid of 1D code simulations could explain some aspects of 3D effectsmore » and mix in capsule implosion. Furthermore, we can infer from our physics model and the observed neutron images the adiabat of the DT fuel in the capsule and the amount of mix produced on the hot spot.« less

Effects of preheat and mix on the fuel adiabat of an imploding capsule

DOE PAGES

Cheng, B.; Kwan, T. J. T.; Wang, Y. M.; ...

2016-12-01

We demonstrate the effect of preheat, hydrodynamic mix and vorticity on the adiabat of the deuterium-tritium (DT) fuel in fusion capsule experiments. We show that the adiabat of the DT fuel increases resulting from hydrodynamic mixing due to the phenomenon of entropy of mixture. An upper limit of mix, M clean=M DT ≥ 0:98 is found necessary to keep the DT fuel on a low adiabat. We demonstrate in this study that the use of a high adiabat for the DT fuel in theoretical analysis and with the aid of 1D code simulations could explain some aspects of 3D effectsmore » and mix in capsule implosion. Furthermore, we can infer from our physics model and the observed neutron images the adiabat of the DT fuel in the capsule and the amount of mix produced on the hot spot.« less

Tatooines Future: The Eccentric Response of Keplers Circumbinary Planets to Common-Envelope Evolution of their Host Stars

NASA Technical Reports Server (NTRS)

Kostov, Veselin B.; Moore, Keavin; Tamayo, Daniel; Jayawardhana, Ray; Rinehart, Stephen A.

2016-01-01

Inspired by the recent Kepler discoveries of circumbinary planets orbiting nine close binary stars, we explore the fate of the former as the latter evolve off the main sequence. We combine binary star evolution models with dynamical simulations to study the orbital evolution of these planets as their hosts undergo common-envelope stages, losing in the process a tremendous amount of mass on dynamical timescales. Five of the systems experience at least one Roche-lobe overflow and common-envelope stages (Kepler-1647 experiences three), and the binary stars either shrink to very short orbits or coalesce; two systems trigger a double-degenerate supernova explosion. Kepler's circumbinary planets predominantly remain gravitationally bound at the end of the common-envelope phase, migrate to larger orbits, and may gain significant eccentricity; their orbital expansion can be more than an order of magnitude and can occur over the course of a single planetary orbit. The orbits these planets can reach are qualitatively consistent with those of the currently known post-common-envelope, eclipse-time variations circumbinary candidates. Our results also show that circumbinary planets can experience both modes of orbital expansion (adiabatic and non-adiabatic) if their host binaries undergo more than one common-envelope stage; multiplanet circumbinary systems like Kepler-47 can experience both modes during the same common-envelope stage. Additionally, unlike Mercury orbiting the Sun, a circumbinary planet with the same semi-major axis can survive the common envelope evolution of a close binary star with a total mass of 1 Solar Mass.

Global adiabaticity and non-Gaussianity consistency condition

NASA Astrophysics Data System (ADS)

Romano, Antonio Enea; Mooij, Sander; Sasaki, Misao

2016-10-01

In the context of single-field inflation, the conservation of the curvature perturbation on comoving slices, Rc, on super-horizon scales is one of the assumptions necessary to derive the consistency condition between the squeezed limit of the bispectrum and the spectrum of the primordial curvature perturbation. However, the conservation of Rc holds only after the perturbation has reached the adiabatic limit where the constant mode of Rc dominates over the other (usually decaying) mode. In this case, the non-adiabatic pressure perturbation defined in the thermodynamic sense, δPnad ≡ δP - cw2 δρ where cw2 = P ˙ / ρ ˙ , usually becomes also negligible on superhorizon scales. Therefore one might think that the adiabatic limit is the same as thermodynamic adiabaticity. This is in fact not true. In other words, thermodynamic adiabaticity is not a sufficient condition for the conservation of Rc on super-horizon scales. In this paper, we consider models that satisfy δPnad = 0 on all scales, which we call global adiabaticity (GA), which is guaranteed if cw2 = cs2, where cs is the phase velocity of the propagation of the perturbation. A known example is the case of ultra-slow-roll (USR) inflation in which cw2 = cs2 = 1. In order to generalize USR we develop a method to find the Lagrangian of GA K-inflation models from the behavior of background quantities as functions of the scale factor. Applying this method we show that there indeed exists a wide class of GA models with cw2 = cs2, which allows Rc to grow on superhorizon scales, and hence violates the non-Gaussianity consistency condition.

Recent developments in trapping and manipulation of atoms with adiabatic potentials

NASA Astrophysics Data System (ADS)

Garraway, Barry M.; Perrin, Hélène

2016-09-01

A combination of static and oscillating magnetic fields can be used to ‘dress’ atoms with radio-frequency (RF), or microwave, radiation. The spatial variation of these fields can be used to create an enormous variety of traps for ultra-cold atoms and quantum gases. This article reviews the type and character of these adiabatic traps and the applications which include atom interferometry and the study of low-dimensional quantum systems. We introduce the main concepts of magnetic traps leading to adiabatic dressed traps. The concept of adiabaticity is discussed in the context of the Landau-Zener model. The first bubble trap experiment is reviewed together with the method used for loading it. Experiments based on atom chips show the production of double wells and ring traps. Dressed atom traps can be evaporatively cooled with an additional RF field, and a weak RF field can be used to probe the spectroscopy of the adiabatic potentials. Several approaches to ring traps formed from adiabatic potentials are discussed, including those based on atom chips, time-averaged adiabatic potentials and induction methods. Several proposals for adiabatic lattices with dressed atoms are also reviewed.

Modification of optical properties by adiabatic shifting of resonances in a four-level atom

NASA Astrophysics Data System (ADS)

Dutta, Bibhas Kumar; Panchadhyayee, Pradipta

2018-04-01

We describe the linear and nonlinear optical properties of a four-level atomic system, after reducing it to an effective two-level atomic model under the condition of adiabatic shifting of resonances driven by two coherent off-resonant fields. The reduced form of the Hamiltonian corresponding to the two-level system is obtained by employing an adiabatic elimination procedure in the rate equations of the probability amplitudes for the proposed four-level model. For a weak probe field operating in the system, the nonlinear dependence of complex susceptibility on the Rabi frequencies and the detuning parameters of the off-resonant driving fields makes it possible to exhibit coherent control of single-photon and two-photon absorption and transparency, the evolution of enhanced Self-Kerr nonlinearity and noticeable dispersive switching. We have shown how the quantum interference results in the generic four-level model at the adiabatic limit. The present scheme describes the appearance of single-photon transparency without invoking any exact two-photon resonance.

Phase transitions and adiabatic preparation of a fractional Chern insulator in a boson cold-atom model

NASA Astrophysics Data System (ADS)

Motruk, Johannes; Pollmann, Frank

2017-10-01

We investigate the fate of hardcore bosons in a Harper-Hofstadter model which was experimentally realized by Aidelsburger et al. [Nat. Phys. 11, 162 (2015), 10.1038/nphys3171] at half-filling of the lowest band. We discuss the stability of an emergent fractional Chern insulator (FCI) state in a finite region of the phase diagram that is separated from a superfluid state by a first-order transition when tuning the band topology following the protocol used in the experiment. Since crossing a first-order transition is unfavorable for adiabatically preparing the FCI state, we extend the model to stabilize a featureless insulating state. The transition between this phase and the topological state proves to be continuous, providing a path in parameter space along which an FCI state could be adiabatically prepared. To further corroborate this statement, we perform time-dependent DMRG calculations which demonstrate that the FCI state may indeed be reached by adiabatically tuning a simple product state.

Measurement of the shell decompression in direct-drive inertial-confinement-fusion implosions

DOE PAGES

Michel, D. T.; Hu, S. X.; Davis, A. K.; ...

2017-05-10

Measurement of the effect of adiabat (α) on the shell thickness were performed in direct-drive implosions. When reducing the adiabat of the shell from α = 6 to α = 4:5, the shell thickness was measured to decrease from 75 μm to 60 μm, but when decreasing the adiabat further (α = 1:8), the shell thickness was measured to increase to 75 μm. The measured shell thickness, shell trajectories, neutron bang time, and neutron yield were reproduced by two dimensional simulations that include laser imprint, nonlocal thermal transport, cross-beam energy transfer, and first-principles equation-of-state models. The minimum core size wasmore » measured to decrease from 40 μm to 30 μm, consistent with the reduction of the adiabat from α = 6 to α = 1:8. Simulations that neglected imprint reproduced the measured core size of the entire adiabat scan, but signi cantly underestimate the shell thickness for adiabat below ~3. These results show that the decompression of the shell measured for low-adiabat implosions was a result of laser imprint.« less

Measurement of the shell decompression in direct-drive inertial-confinement-fusion implosions

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

Michel, D. T.; Hu, S. X.; Davis, A. K.

Measurement of the effect of adiabat (α) on the shell thickness were performed in direct-drive implosions. When reducing the adiabat of the shell from α = 6 to α = 4:5, the shell thickness was measured to decrease from 75 μm to 60 μm, but when decreasing the adiabat further (α = 1:8), the shell thickness was measured to increase to 75 μm. The measured shell thickness, shell trajectories, neutron bang time, and neutron yield were reproduced by two dimensional simulations that include laser imprint, nonlocal thermal transport, cross-beam energy transfer, and first-principles equation-of-state models. The minimum core size wasmore » measured to decrease from 40 μm to 30 μm, consistent with the reduction of the adiabat from α = 6 to α = 1:8. Simulations that neglected imprint reproduced the measured core size of the entire adiabat scan, but signi cantly underestimate the shell thickness for adiabat below ~3. These results show that the decompression of the shell measured for low-adiabat implosions was a result of laser imprint.« less

Shortcuts to adiabaticity using flow fields

NASA Astrophysics Data System (ADS)

Patra, Ayoti; Jarzynski, Christopher

2017-12-01

A shortcut to adiabaticity is a recipe for generating adiabatic evolution at an arbitrary pace. Shortcuts have been developed for quantum, classical and (most recently) stochastic dynamics. A shortcut might involve a counterdiabatic (CD) Hamiltonian that causes a system to follow the adiabatic evolution at all times, or it might utilize a fast-forward (FF) potential, which returns the system to the adiabatic path at the end of the process. We develop a general framework for constructing shortcuts to adiabaticity from flow fields that describe the desired adiabatic evolution. Our approach encompasses quantum, classical and stochastic dynamics, and provides surprisingly compact expressions for both CD Hamiltonians and FF potentials. We illustrate our method with numerical simulations of a model system, and we compare our shortcuts with previously obtained results. We also consider the semiclassical connections between our quantum and classical shortcuts. Our method, like the FF approach developed by previous authors, is susceptible to singularities when applied to excited states of quantum systems; we propose a simple, intuitive criterion for determining whether these singularities will arise, for a given excited state.

Perpendicular Diffusion Coefficient of Comic Rays: The Presence of Weak Adiabatic Focusing

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

Wang, J. F.; Ma, Q. M.; Song, T.

The influence of adiabatic focusing on particle diffusion is an important topic in astrophysics and plasma physics. In the past, several authors have explored the influence of along-field adiabatic focusing on the parallel diffusion of charged energetic particles. In this paper, using the unified nonlinear transport theory developed by Shalchi and the method of He and Schlickeiser, we derive a new nonlinear perpendicular diffusion coefficient for a non-uniform background magnetic field. This formula demonstrates that the particle perpendicular diffusion coefficient is modified by along-field adiabatic focusing. For isotropic pitch-angle scattering and the weak adiabatic focusing limit, the derived perpendicular diffusionmore » coefficient is independent of the sign of adiabatic focusing characteristic length. For the two-component model, we simplify the perpendicular diffusion coefficient up to the second order of the power series of the adiabatic focusing characteristic quantity. We find that the first-order modifying factor is equal to zero and that the sign of the second order is determined by the energy of the particles.« less

A new symmetrical quasi-classical model for electronically non-adiabatic processes: Application to the case of weak non-adiabatic coupling

DOE PAGES

Cotton, Stephen J.; Miller, William H.

2016-10-14

Previous work has shown how a symmetrical quasi-classical (SQC) windowing procedure can be used to quantize the initial and final electronic degrees of freedom in the Meyer-Miller (MM) classical vibronic (i.e, nuclear + electronic) Hamiltonian, and that the approach provides a very good description of electronically non-adiabatic processes within a standard classical molecular dynamics framework for a number of benchmark problems. This study explores application of the SQC/MM approach to the case of very weak non-adiabatic coupling between the electronic states, showing (as anticipated) how the standard SQC/MM approach used to date fails in this limit, and then devises amore » new SQC windowing scheme to deal with it. Finally, application of this new SQC model to a variety of realistic benchmark systems shows that the new model not only treats the weak coupling case extremely well, but it is also seen to describe the “normal” regime (of electronic transition probabilities ≳ 0.1) even more accurately than the previous “standard” model.« less

A new symmetrical quasi-classical model for electronically non-adiabatic processes: Application to the case of weak non-adiabatic coupling

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

Cotton, Stephen J.; Miller, William H.

Previous work has shown how a symmetrical quasi-classical (SQC) windowing procedure can be used to quantize the initial and final electronic degrees of freedom in the Meyer-Miller (MM) classical vibronic (i.e, nuclear + electronic) Hamiltonian, and that the approach provides a very good description of electronically non-adiabatic processes within a standard classical molecular dynamics framework for a number of benchmark problems. This study explores application of the SQC/MM approach to the case of very weak non-adiabatic coupling between the electronic states, showing (as anticipated) how the standard SQC/MM approach used to date fails in this limit, and then devises amore » new SQC windowing scheme to deal with it. Finally, application of this new SQC model to a variety of realistic benchmark systems shows that the new model not only treats the weak coupling case extremely well, but it is also seen to describe the “normal” regime (of electronic transition probabilities ≳ 0.1) even more accurately than the previous “standard” model.« less

Compact Objects In Binary Systems: Formation and Evolution of X-ray Binaries and Tides in Double White Dwarfs

NASA Astrophysics Data System (ADS)

Valsecchi, Francesca

Binary star systems hosting black holes, neutron stars, and white dwarfs are unique laboratories for investigating both extreme physical conditions, and stellar and binary evolution. Black holes and neutron stars are observed in X-ray binaries, where mass accretion from a stellar companion renders them X-ray bright. Although instruments like Chandra have revolutionized the field of X-ray binaries, our theoretical understanding of their origin and formation lags behind. Progress can be made by unravelling the evolutionary history of observed systems. As part of my thesis work, I have developed an analysis method that uses detailed stellar models and all the observational constraints of a system to reconstruct its evolutionary path. This analysis models the orbital evolution from compact-object formation to the present time, the binary orbital dynamics due to explosive mass loss and a possible kick at core collapse, and the evolution from the progenitor's Zero Age Main Sequence to compact-object formation. This method led to a theoretical model for M33 X-7, one of the most massive X-ray binaries known and originally marked as an evolutionary challenge. Compact objects are also expected gravitational wave (GW) sources. In particular, double white dwarfs are both guaranteed GW sources and observed electromagnetically. Although known systems show evidence of tidal deformation and a successful GW astronomy requires realistic models of the sources, detached double white dwarfs are generally approximated to point masses. For the first time, I used realistic models to study tidally-driven periastron precession in eccentric binaries. I demonstrated that its imprint on the GW signal yields constrains on the components' masses and that the source would be misclassified if tides are neglected. Beyond this adiabatic precession, tidal dissipation creates a sink of orbital angular momentum. Its efficiency is strongest when tides are dynamic and excite the components' free oscillation modes. Accounting for this effect will determine whether our interpretation of current and future observations will constrain the sources' true physical properties. To investigate dynamic tides I have developed CAFein, a novel code that calculates forced non-adiabatic stellar oscillations using a highly stable and efficient numerical method.

Analysis of supercritical vapor explosions using thermal detonation wave theory

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

Shamoun, B.I.; Corradini, M.L.

The interaction of certain materials such as Al{sub 2}O{sub 3} with water results in vapor explosions with very high (supercritical) pressures and propagation velocities. A quasi-steady state analysis of supercritical detonation in one-dimensional multiphase flow was applied to analyze experimental data of the KROTOS (26-30) set of experiments conducted at the Joint Research Center at Ispra, Italy. In this work we have applied a new method of solution which allows for partial fragmentation of the fuel in the shock adiabatic thermodynamic model. This method uses known experiment values of the shock pressure and propagation velocity to estimate the initial mixingmore » conditions of the experiment. The fuel and coolant were both considered compressible in this analysis. In KROTOS 26, 28, 29, and 30 the measured values of the shock pressure by the experiment were found to be higher than 25, 50, 100, and 100 Mpa respectively. Using the above data for the wave velocity and our best estimate for the values of the pressure, the predicted minimum values of the fragmented mass of the fuel were found to be 0.026. 0.04, 0.057, and 0.068 kg respectively. The predicted values of the work output corresponding to the above fragmented masses of the fuel were found to be 40, 84, 126, and 150 kJ respectively, with predicted initial void fractions of 112%, 12.5%, 8%, and 6% respectively.« less

Revisiting Vertical Models To Simulate the Line Shape of Electronic Spectra Adopting Cartesian and Internal Coordinates.

PubMed

Cerezo, Javier; Santoro, Fabrizio

2016-10-11

Vertical models for the simulation of spectroscopic line shapes expand the potential energy surface (PES) of the final state around the equilibrium geometry of the initial state. These models provide, in principle, a better approximation of the region of the band maximum. At variance, adiabatic models expand each PES around its own minimum. In the harmonic approximation, when the minimum energy structures of the two electronic states are connected by large structural displacements, adiabatic models can breakdown and are outperformed by vertical models. However, the practical application of vertical models faces the issues related to the necessity to perform a frequency analysis at a nonstationary point. In this contribution we revisit vertical models in harmonic approximation adopting both Cartesian (x) and valence internal curvilinear coordinates (s). We show that when x coordinates are used, the vibrational analysis at nonstationary points leads to a deficient description of low-frequency modes, for which spurious imaginary frequencies may even appear. This issue is solved when s coordinates are adopted. It is however necessary to account for the second derivative of s with respect to x, which here we compute analytically. We compare the performance of the vertical model in the s-frame with respect to adiabatic models and previously proposed vertical models in x- or Q 1 -frame, where Q 1 are the normal coordinates of the initial state computed as combination of Cartesian coordinates. We show that for rigid molecules the vertical approach in the s-frame provides a description of the final state very close to the adiabatic picture. For sizable displacements it is a solid alternative to adiabatic models, and it is not affected by the issues of vertical models in x- and Q 1 -frames, which mainly arise when temperature effects are included. In principle the G matrix depends on s, and this creates nonorthogonality problems of the Duschinsky matrix connecting the normal modes of initial and final states in adiabatic approaches. We highlight that such a dependence of G on s is also an issue in vertical models, due to the necessity to approximate the kinetic term in the Hamiltonian when setting up the so-called GF problem. When large structural differences exist between the initial and the final-state minima, the changes in the G matrix can become too large to be disregarded.

Decoherence in adiabatic quantum computation

NASA Astrophysics Data System (ADS)

Albash, Tameem; Lidar, Daniel A.

2015-06-01

Recent experiments with increasingly larger numbers of qubits have sparked renewed interest in adiabatic quantum computation, and in particular quantum annealing. A central question that is repeatedly asked is whether quantum features of the evolution can survive over the long time scales used for quantum annealing relative to standard measures of the decoherence time. We reconsider the role of decoherence in adiabatic quantum computation and quantum annealing using the adiabatic quantum master-equation formalism. We restrict ourselves to the weak-coupling and singular-coupling limits, which correspond to decoherence in the energy eigenbasis and in the computational basis, respectively. We demonstrate that decoherence in the instantaneous energy eigenbasis does not necessarily detrimentally affect adiabatic quantum computation, and in particular that a short single-qubit T2 time need not imply adverse consequences for the success of the quantum adiabatic algorithm. We further demonstrate that boundary cancellation methods, designed to improve the fidelity of adiabatic quantum computing in the closed-system setting, remain beneficial in the open-system setting. To address the high computational cost of master-equation simulations, we also demonstrate that a quantum Monte Carlo algorithm that explicitly accounts for a thermal bosonic bath can be used to interpolate between classical and quantum annealing. Our study highlights and clarifies the significantly different role played by decoherence in the adiabatic and circuit models of quantum computing.

Aspherical Supernovae: Effects on Early Light Curves

NASA Astrophysics Data System (ADS)

Afsariardchi, Niloufar; Matzner, Christopher D.

2018-04-01

Early light from core-collapse supernovae, now detectable in high-cadence surveys, holds clues to a star and its environment just before it explodes. However, effects that alter the early light have not been fully explored. We highlight the possibility of nonradial flows at the time of shock breakout. These develop in sufficiently nonspherical explosions if the progenitor is not too diffuse. When they do develop, nonradial flows limit ejecta speeds and cause ejecta–ejecta collisions. We explore these phenomena and their observational implications using global, axisymmetric, nonrelativistic FLASH simulations of simplified polytropic progenitors, which we scale to representative stars. We develop a method to track photon production within the ejecta, enabling us to estimate band-dependent light curves from adiabatic simulations. Immediate breakout emission becomes hidden as an oblique flow develops. Nonspherical effects lead the shock-heated ejecta to release a more constant luminosity at a higher, evolving color temperature at early times, effectively mixing breakout light with the early light curve. Collisions between nonradial ejecta thermalize a small fraction of the explosion energy; we will address emission from these collisions in a subsequent paper.

Coefficient of performance for a low-dissipation Carnot-like refrigerator with nonadiabatic dissipation

NASA Astrophysics Data System (ADS)

Hu, Yong; Wu, Feifei; Ma, Yongli; He, Jizhou; Wang, Jianhui; Hernández, A. Calvo; Roco, J. M. M.

2013-12-01

We study the coefficient of performance (COP) and its bounds for a Carnot-like refrigerator working between two heat reservoirs at constant temperatures Th and Tc, under two optimization criteria χ and Ω. In view of the fact that an “adiabatic” process usually takes finite time and is nonisentropic, the nonadiabatic dissipation and the finite time required for the adiabatic processes are taken into account by assuming low dissipation. For given optimization criteria, we find that the lower and upper bounds of the COP are the same as the corresponding ones obtained from the previous idealized models where any adiabatic process is undergone instantaneously with constant entropy. To describe some particular models with very fast adiabatic transitions, we also consider the influence of the nonadiabatic dissipation on the bounds of the COP, under the assumption that the irreversible entropy production in the adiabatic process is constant and independent of time. Our theoretical predictions match the observed COPs of real refrigerators more closely than the ones derived in the previous models, providing a strong argument in favor of our approach.

Modeling and Laboratory Investigations of Radiative Shocks

NASA Astrophysics Data System (ADS)

Grun, Jacob; Laming, J. Martin; Manka, Charles; Moore, Christopher; Jones, Ted; Tam, Daniel

2001-10-01

Supernova remnants are often inhomogeneous, with knots or clumps of material expanding in ambient plasma. This structure may be initiated by hydrodynamic instabilities occurring during the explosion, but it may plausibly be amplified by instabilities of the expanding shocks such as, for example, corrugation instabilities described by D’yakov in 1954, Vishniac in 1983, and observed in the laboratory by Grun et al. in 1991. Shock instability can occur when radiation lowers the effective adiabatic index of the gas. In view of the difficulty of modeling radiation in non-equilibrium plasmas, and the dependence of shock instabilities on such radiation, we are performing a laboratory experiment to study radiative shocks. The shocks are generated in a miniature, laser-driven shock tube. The gas density inside the tube at any instant in time is measured using time and space-resolved interferometry, and the emission spectrum of the gas is measured with time-resolved spectroscopy. We simulate the experiment with a 1D code that models time dependent post-shock ionization and non-equilibrium radiative cooling. S. P. D’yakov, Zhurnal Eksperimentalnoi Teoreticheskoi Fiziki 27, 288 (1954); see also section 90 in L.D. Landau and E.M. Lifshitz, Fluid Mechanics (Butterworth-Heinemann 1987); E.T. Vishniac, Astrophys. J. 236, 880 (1983); J. Grun, et al., Phys. Rev. Lett., 66, 2738 (1991)

Collective neutrino oscillations and neutrino wave packets

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

Akhmedov, Evgeny; Lindner, Manfred; Kopp, Joachim, E-mail: akhmedov@mpi-hd.mpg.de, E-mail: jkopp@uni-mainz.de, E-mail: lindner@mpi-hd.mpg.de

Effects of decoherence by wave packet separation on collective neutrino oscillations in dense neutrino gases are considered. We estimate the length of the wave packets of neutrinos produced in core collapse supernovae and the expected neutrino coherence length, and then proceed to consider the decoherence effects within the density matrix formalism of neutrino flavour transitions. First, we demonstrate that for neutrino oscillations in vacuum the decoherence effects are described by a damping term in the equation of motion of the density matrix of a neutrino as a whole (as contrasted to that of the fixed-momentum components of the neutrino densitymore » matrix). Next, we consider neutrino oscillations in ordinary matter and dense neutrino backgrounds, both in the adiabatic and non-adiabatic regimes. In the latter case we study two specific models of adiabaticity violation—one with short-term and another with extended non-adiabaticity. It is demonstrated that, while in the adiabatic case a damping term is present in the equation of motion of the neutrino density matrix (just like in the vacuum oscillation case), no such term in general appears in the non-adiabatic regime.« less

CONSTRAINTS ON SCALAR AND TENSOR PERTURBATIONS IN PHENOMENOLOGICAL AND TWO-FIELD INFLATION MODELS: BAYESIAN EVIDENCES FOR PRIMORDIAL ISOCURVATURE AND TENSOR MODES

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

Vaeliviita, Jussi; Savelainen, Matti; Talvitie, Marianne

2012-07-10

We constrain cosmological models where the primordial perturbations have an adiabatic and a (possibly correlated) cold dark matter (CDM) or baryon isocurvature component. We use both a phenomenological approach, where the power spectra of primordial perturbations are parameterized with amplitudes and spectral indices, and a slow-roll two-field inflation approach where slow-roll parameters are used as primary parameters, determining the spectral indices and the tensor-to-scalar ratio. In the phenomenological case, with CMB data, the upper limit to the CDM isocurvature fraction is {alpha} < 6.4% at k = 0.002 Mpc{sup -1} and 15.4% at k = 0.01 Mpc{sup -1}. The non-adiabaticmore » contribution to the CMB temperature variance is -0.030 < {alpha}{sub T} < 0.049 at the 95% confidence level. Including the supernova (SN) (or large-scale structure) data, these limits become {alpha} < 7.0%, 13.7%, and -0.048 < {alpha}{sub T} < 0.042 (or {alpha} < 10.2%, 16.0%, and -0.071 < {alpha}{sub T} < 0.024). The CMB constraint on the tensor-to-scalar ratio, r < 0.26 at k = 0.01 Mpc{sup -1}, is not affected by the non-adiabatic modes. In the slow-roll two-field inflation approach, the spectral indices are constrained close to 1. This leads to tighter limits on the isocurvature fraction; with the CMB data {alpha} < 2.6% at k = 0.01 Mpc{sup -1}, but the constraint on {alpha}{sub T} is not much affected, -0.058 < {alpha}{sub T} < 0.045. Including SN (or LSS) data, these limits become {alpha} < 3.2% and -0.056 < {alpha}{sub T} < 0.030 (or {alpha} < 3.4% and -0.063 < {alpha}{sub T} < -0.008). In addition to the generally correlated models, we study also special cases where the adiabatic and isocurvature modes are uncorrelated or fully (anti)correlated. We calculate Bayesian evidences (model probabilities) in 21 different non-adiabatic cases and compare them to the corresponding adiabatic models, and find that in all cases the data support the pure adiabatic model.« less

Exact solutions and low-frequency instability of the adiabatic auroral arc model

NASA Technical Reports Server (NTRS)

Cornwall, John M.

1988-01-01

The adiabatic auroral arc model couples a kinetic theory parallel current driven by mirror forces to horizontal ionospheric currents; the resulting equations are nonlinear. Some exact stationary solutions to these equations, some of them based on the Liouville equation, are developed, with both latitudinal and longitudinal spatial variations. These Liouville equation exact solutions are related to stability boundaries of low-frequency instabilities such as Kelvin-Helmholtz, as shown by a study of a simplified model.

Adiabatic model of field reversal by fast ions in an axisymmetric open trap

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

Tsidulko, Yu. A., E-mail: tsidulko@mail.ru

2016-06-15

A model of field reversal by fast ions has been developed under the assumption of preservation of fast-ion adiabatic invariants. Analytical solutions obtained in the approximation of a narrow fast-ion layer and numerical solutions to the evolutionary problem are presented. The solutions demonstrate the process of formation of a field reversed configuration with parameters close to those of the planned experiment.

Adiabatic gate teleportation.

PubMed

Bacon, Dave; Flammia, Steven T

2009-09-18

The difficulty in producing precisely timed and controlled quantum gates is a significant source of error in many physical implementations of quantum computers. Here we introduce a simple universal primitive, adiabatic gate teleportation, which is robust to timing errors and many control errors and maintains a constant energy gap throughout the computation above a degenerate ground state space. This construction allows for geometric robustness based upon the control of two independent qubit interactions. Further, our piecewise adiabatic evolution easily relates to the quantum circuit model, enabling the use of standard methods from fault-tolerance theory for establishing thresholds.

Adiabatic reduction of a model of stochastic gene expression with jump Markov process.

PubMed

Yvinec, Romain; Zhuge, Changjing; Lei, Jinzhi; Mackey, Michael C

2014-04-01

This paper considers adiabatic reduction in a model of stochastic gene expression with bursting transcription considered as a jump Markov process. In this model, the process of gene expression with auto-regulation is described by fast/slow dynamics. The production of mRNA is assumed to follow a compound Poisson process occurring at a rate depending on protein levels (the phenomena called bursting in molecular biology) and the production of protein is a linear function of mRNA numbers. When the dynamics of mRNA is assumed to be a fast process (due to faster mRNA degradation than that of protein) we prove that, with appropriate scalings in the burst rate, jump size or translational rate, the bursting phenomena can be transmitted to the slow variable. We show that, depending on the scaling, the reduced equation is either a stochastic differential equation with a jump Poisson process or a deterministic ordinary differential equation. These results are significant because adiabatic reduction techniques seem to have not been rigorously justified for a stochastic differential system containing a jump Markov process. We expect that the results can be generalized to adiabatic methods in more general stochastic hybrid systems.

The coalescence instability in solar flares

NASA Technical Reports Server (NTRS)

Tajima, T.; Brunel, F.; Sakai, J.-I.; Vlahos, L.; Kundu, M. R.

1985-01-01

The nonlinear coalescence instability of current carrying solar loops can explain many of the characteristics of the solar flares such as their impulsive nature, heating and high energy particle acceleration, amplitude oscillations of electromagnetic and emission as well as the characteristics of two-dimensional microwave images obtained during a flare. The plasma compressibility leads to the explosive phase of loop coalescence and its overshoot results in amplitude oscillations in temperatures by adiabatic compression and decompression. It is noted that the presence of strong electric fields and super-Alfvenic flows during the course of the instability play an important role in the production of nonthermal particles. A qualitative explanation on the physical processes taking place during the nonlinear stages of the instability is given.

On the adiabatic representation of Meyer-Miller electronic-nuclear dynamics

NASA Astrophysics Data System (ADS)

Cotton, Stephen J.; Liang, Ruibin; Miller, William H.

2017-08-01

The Meyer-Miller (MM) classical vibronic (electronic + nuclear) Hamiltonian for electronically non-adiabatic dynamics—as used, for example, with the recently developed symmetrical quasiclassical (SQC) windowing model—can be written in either a diabatic or an adiabatic representation of the electronic degrees of freedom, the two being a canonical transformation of each other, thus giving the same dynamics. Although most recent applications of this SQC/MM approach have been carried out in the diabatic representation—because most of the benchmark model problems that have exact quantum results available for comparison are typically defined in a diabatic representation—it will typically be much more convenient to work in the adiabatic representation, e.g., when using Born-Oppenheimer potential energy surfaces (PESs) and derivative couplings that come from electronic structure calculations. The canonical equations of motion (EOMs) (i.e., Hamilton's equations) that come from the adiabatic MM Hamiltonian, however, in addition to the common first-derivative couplings, also involve second-derivative non-adiabatic coupling terms (as does the quantum Schrödinger equation), and the latter are considerably more difficult to calculate. This paper thus revisits the adiabatic version of the MM Hamiltonian and describes a modification of the classical adiabatic EOMs that are entirely equivalent to Hamilton's equations but that do not involve the second-derivative couplings. The second-derivative coupling terms have not been neglected; they simply do not appear in these modified adiabatic EOMs. This means that SQC/MM calculations can be carried out in the adiabatic representation, without approximation, needing only the PESs and the first-derivative coupling elements. The results of example SQC/MM calculations are presented, which illustrate this point, and also the fact that simply neglecting the second-derivative couplings in Hamilton's equations (and presumably also in the Schrödinger equation) can cause very significant errors.

Lithospheric processes that enhance melting at rifts

NASA Astrophysics Data System (ADS)

Elkins-Tanton, L. T.; Furman, T.

2008-12-01

Continental rifts are commonly sites for mantle melting, whether in the form of ridge melting to create new oceanic crust, or as the locus of flood basalt activity, or in the long initial period of rifting before lavas evolve fully into MORBs. The high topography in the lithosphere-asthenosphere boundary under a rift creates mantle upwelling and adiabatic melting even in the absence of a plume. This geometry itself, however, is conducive to lithospheric instability on the sides of the rifts. Unstable lithosphere may founder into the mantle, producing more complex aesthenospheric convective patterns and additional opportunities to produce melt. Lithospheric instabilities can produce additional adiabatic melting in convection produced as they sink, and they may also devolatilize as they sink, introducing the possibility of flux melting to the rift environment. We call this process upside-down melting, since devolatilization and melting proceed as the foundering lithosphere sinks, rather than while rising, as in the more familiar adiabatic decompression melting. Both adiabatic melting and flux melting would take place along the edges of the rift and may even move magmatism outside the rift, as has been seen in Ethiopia. In volcanism postdating the flood basalts on and adjacent to the Ethiopian Plateau there is evidence for both lithospheric thinning and volatile enrichment in the magmas, potentially consistent with the upside-down melting model. Here we present a physical model for the conjunction of adiabatic decompression melting to produce new oceanic crust in the rift, while lithospheric gravitational instabilities drive both adiabatic and flux melting at its margins.

A connection between mix and adiabat in ICF capsules

NASA Astrophysics Data System (ADS)

Cheng, Baolian; Kwan, Thomas; Wang, Yi-Ming; Yi, Sunghuan (Austin); Batha, Steven

2016-10-01

We study the relationship between instability induced mix, preheat and the adiabat of the deuterium-tritium (DT) fuel in fusion capsule experiments. Our studies show that hydrodynamic instability not only directly affects the implosion, hot spot shape and mix, but also affects the thermodynamics of the capsule, such as, the adiabat of the DT fuel, and, in turn, affects the energy partition between the pusher shell (cold DT) and the hot spot. It was found that the adiabat of the DT fuel is sensitive to the amount of mix caused by Richtmyer-Meshkov (RM) and Rayleigh-Taylor (RT) instabilities at the material interfaces due to its exponential dependence on the fuel entropy. An upper limit of mix allowed maintaining a low adiabat of DT fuel is derived. Additionally we demonstrated that the use of a high adiabat for the DT fuel in theoretical analysis and with the aid of 1D code simulations could explain some aspects of the 3D effects and mix in the capsule experiments. Furthermore, from the observed neutron images and our physics model, we could infer the adiabat of the DT fuel in the capsule and determine the possible amount of mix in the hot spot (LA-UR-16-24880). This work was conducted under the auspices of the U.S. Department of Energy by the Los Alamos National Laboratory under Contract No. W-7405-ENG-36.

High-order shock-fitted detonation propagation in high explosives

NASA Astrophysics Data System (ADS)

Romick, Christopher M.; Aslam, Tariq D.

2017-03-01

A highly accurate numerical shock and material interface fitting scheme composed of fifth-order spatial and third- or fifth-order temporal discretizations is applied to the two-dimensional reactive Euler equations in both slab and axisymmetric geometries. High rates of convergence are not typically possible with shock-capturing methods as the Taylor series analysis breaks down in the vicinity of discontinuities. Furthermore, for typical high explosive (HE) simulations, the effects of material interfaces at the charge boundary can also cause significant computational errors. Fitting a computational boundary to both the shock front and material interface (i.e. streamline) alleviates the computational errors associated with captured shocks and thus opens up the possibility of high rates of convergence for multi-dimensional shock and detonation flows. Several verification tests, including a Sedov blast wave, a Zel'dovich-von Neumann-Döring (ZND) detonation wave, and Taylor-Maccoll supersonic flow over a cone, are utilized to demonstrate high rates of convergence to nontrivial shock and reaction flows. Comparisons to previously published shock-capturing multi-dimensional detonations in a polytropic fluid with a constant adiabatic exponent (PF-CAE) are made, demonstrating significantly lower computational error for the present shock and material interface fitting method. For an error on the order of 10 m /s, which is similar to that observed in experiments, shock-fitting offers a computational savings on the order of 1000. In addition, the behavior of the detonation phase speed is examined for several slab widths to evaluate the detonation performance of PBX 9501 while utilizing the Wescott-Stewart-Davis (WSD) model, which is commonly used in HE modeling. It is found that the thickness effect curve resulting from this equation of state and reaction model using published values is dramatically more steep than observed in recent experiments. Utilizing the present fitting strategy, in conjunction with a nonlinear optimizer, a new set of reaction rate parameters improves the correlation of the model to experimental results. Finally, this new model is tested against two dimensional slabs as a validation test.

A Kinetic Study of the Adiabatic Polymerization of Acrylamide.

ERIC Educational Resources Information Center

Thomson, R. A. M.

1986-01-01

Discusses theory, procedures, and results for an experiment which demonstrates the application of basic physics to chemical problems. The experiment involves the adiabatic process, in which polymerization carried out in a vacuum flask is compared to the theoretical prediction of the model with the temperature-time curve obtained in practice. (JN)

Fast Quasi-Adiabatic Gas Cooling: An Experiment Revisited

ERIC Educational Resources Information Center

Oss, S.; Gratton, L. M.; Calza, G.; Lopez-Arias, T.

2012-01-01

The well-known experiment of the rapid expansion and cooling of the air contained in a bottle is performed with a rapidly responsive, yet very cheap thermometer. The adiabatic, low temperature limit is approached quite closely and measured with our apparatus. A straightforward theoretical model for this process is also presented and discussed.…

Maximizing entanglement in bosonic Josephson junctions using shortcuts to adiabaticity and optimal control

NASA Astrophysics Data System (ADS)

Stefanatos, Dionisis; Paspalakis, Emmanuel

2018-05-01

In this article we consider a bosonic Josephson junction, a model system composed by two coupled nonlinear quantum oscillators which can be implemented in various physical contexts, initially prepared in a product of weakly populated coherent states. We quantify the maximum achievable entanglement between the modes of the junction and then use shortcuts to adiabaticity, a method developed to speed up adiabatic quantum dynamics, as well as numerical optimization, to find time-dependent controls (the nonlinearity and the coupling of the junction) which bring the system to a maximally entangled state.

Non-equilibrium scale invariance and shortcuts to adiabaticity in a one-dimensional Bose gas

PubMed Central

Rohringer, W.; Fischer, D.; Steiner, F.; Mazets, I. E.; Schmiedmayer, J.; Trupke, M.

2015-01-01

We present experimental evidence for scale invariant behaviour of the excitation spectrum in phase-fluctuating quasi-1d Bose gases after a rapid change of the external trapping potential. Probing density correlations in free expansion, we find that the temperature of an initial thermal state scales with the spatial extension of the cloud as predicted by a model based on adiabatic rescaling of initial eigenmodes with conserved quasiparticle occupation numbers. Based on this result, we demonstrate that shortcuts to adiabaticity for the rapid expansion or compression of the gas do not induce additional heating. PMID:25867640

EVIDENCE FOR QUASI-ADIABATIC MOTION OF CHARGED PARTICLES IN STRONG CURRENT SHEETS IN THE SOLAR WIND

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

Malova, H. V.; Popov, V. Yu.; Grigorenko, E. E.

We investigate quasi-adiabatic dynamics of charged particles in strong current sheets (SCSs) in the solar wind, including the heliospheric current sheet (HCS), both theoretically and observationally. A self-consistent hybrid model of an SCS is developed in which ion dynamics is described at the quasi-adiabatic approximation, while the electrons are assumed to be magnetized, and their motion is described in the guiding center approximation. The model shows that the SCS profile is determined by the relative contribution of two currents: (i) the current supported by demagnetized protons that move along open quasi-adiabatic orbits, and (ii) the electron drift current. The simplestmore » modeled SCS is found to be a multi-layered structure that consists of a thin current sheet embedded into a much thicker analog of a plasma sheet. This result is in good agreement with observations of SCSs at ∼1 au. The analysis of fine structure of different SCSs, including the HCS, shows that an SCS represents a narrow current layer (with a thickness of ∼10{sup 4} km) embedded into a wider region of about 10{sup 5} km, independently of the SCS origin. Therefore, multi-scale structuring is very likely an intrinsic feature of SCSs in the solar wind.« less

Analysis of geometric phase effects in the quantum-classical Liouville formalism.

PubMed

Ryabinkin, Ilya G; Hsieh, Chang-Yu; Kapral, Raymond; Izmaylov, Artur F

2014-02-28

We analyze two approaches to the quantum-classical Liouville (QCL) formalism that differ in the order of two operations: Wigner transformation and projection onto adiabatic electronic states. The analysis is carried out on a two-dimensional linear vibronic model where geometric phase (GP) effects arising from a conical intersection profoundly affect nuclear dynamics. We find that the Wigner-then-Adiabatic (WA) QCL approach captures GP effects, whereas the Adiabatic-then-Wigner (AW) QCL approach does not. Moreover, the Wigner transform in AW-QCL leads to an ill-defined Fourier transform of double-valued functions. The double-valued character of these functions stems from the nontrivial GP of adiabatic electronic states in the presence of a conical intersection. In contrast, WA-QCL avoids this issue by starting with the Wigner transform of single-valued quantities of the full problem. As a consequence, GP effects in WA-QCL can be associated with a dynamical term in the corresponding equation of motion. Since the WA-QCL approach uses solely the adiabatic potentials and non-adiabatic derivative couplings as an input, our results indicate that WA-QCL can capture GP effects in two-state crossing problems using first-principles electronic structure calculations without prior diabatization or introduction of explicit phase factors.

Analysis of geometric phase effects in the quantum-classical Liouville formalism

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

Ryabinkin, Ilya G.; Izmaylov, Artur F.; Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6

2014-02-28

We analyze two approaches to the quantum-classical Liouville (QCL) formalism that differ in the order of two operations: Wigner transformation and projection onto adiabatic electronic states. The analysis is carried out on a two-dimensional linear vibronic model where geometric phase (GP) effects arising from a conical intersection profoundly affect nuclear dynamics. We find that the Wigner-then-Adiabatic (WA) QCL approach captures GP effects, whereas the Adiabatic-then-Wigner (AW) QCL approach does not. Moreover, the Wigner transform in AW-QCL leads to an ill-defined Fourier transform of double-valued functions. The double-valued character of these functions stems from the nontrivial GP of adiabatic electronic statesmore » in the presence of a conical intersection. In contrast, WA-QCL avoids this issue by starting with the Wigner transform of single-valued quantities of the full problem. As a consequence, GP effects in WA-QCL can be associated with a dynamical term in the corresponding equation of motion. Since the WA-QCL approach uses solely the adiabatic potentials and non-adiabatic derivative couplings as an input, our results indicate that WA-QCL can capture GP effects in two-state crossing problems using first-principles electronic structure calculations without prior diabatization or introduction of explicit phase factors.« less

Biophysical considerations for optimizing energy delivery during Erbium:YAG laser vitreoretinal surgery

NASA Astrophysics Data System (ADS)

Berger, Jeffrey W.; Bochow, Thomas W.; Kim, Rosa Y.; D'Amico, Donald J.

1996-05-01

Er:YAG laser-mediated tissue disruption and removal results from both direct ablation and the acousto-mechanical sequelae of explosive vaporization of the tissue water. We investigated the scaling laws for photoablative and photodisruptive interactions, and interpret these results towards optimizing energy delivery for vitreoretinal surgical maneuvers. Experimental studies were performed with a free-running Er:YAG laser (100 - 300 microseconds FWHM, 0.5 - 20 mJ, 1 - 30 Hz). Energy was delivered by fiberoptic to a custom-made handpiece with a 75 - 600 micrometer quartz tip, and applied to excised, en bloc samples of bovine vitreous or model systems of saline solution. Sample temperature was measured with 33 gauge copper- constantan thermocouples. Expansion and collapse of the bubble following explosive vaporization of tissue water was optically detected. The bubble size was calculated from the period of the bubble oscillation and known material properties. A model for bubble expansion is presented based on energy principles and adiabatic gas expansion. Pressure transients associated with bubble dynamics are estimated following available experimental and analytical data. The temperature rise in vitreous and model systems depends on the pulse energy and repetition rate, but is independent of the probe-tip diameter at constant laser power; at moderate repetition rates, the temperature rise depends only on the total energy (mJ) delivered. The maximum bubble diameter increases as the cube root of the pulse energy with a reverberation period of 110 microseconds and a maximum bubble diameter of 1.2 mm following one mJ delivery to saline through a 100 micrometer tip. Our modeling studies generate predictions similar to experimental data and predicts that the maximum bubble diameter increases as the cube root of the pulse energy. We demonstrate that tissue ablation depends on radiant exposure (J/cm2), while temperature rise, bubble size, and pressure depends on total pulse energy. Further, we show that mechanical injury should be minimized by delivering low pulse energy, through small diameter probe tips, at high repetition rates. These results allow for optimization strategies relevant to achieving vitreoretinal surgical goals while minimizing the potential for unintentional injury.

Ultrafaint Dwarf Galaxies—the Lowest-mass Relics from Before Reionization

NASA Astrophysics Data System (ADS)

Bland-Hawthorn, Joss; Sutherland, Ralph; Webster, David

2015-07-01

New observations suggest that ultrafaint dwarf galaxies (UFDs)—the least luminous systems bound by dark matter halos (≲ {10}5 {L}⊙ )—may have formed before reionization. The extrapolated virial masses today are uncertain, with estimates ranging from 108 {M}⊙ to as high as 109 {M}⊙ depending on the assumed form of the underlying potential. We show that the progenitor halo masses of UFDs can, in principle, be as low as {M}{vir} ≈ 107 {M}⊙ . Under the right conditions, such a halo can survive the energy input of a supernova (SN) and its radiative progenitor. A clumpy (fractal) medium is much less susceptible to both internal and external injections of energy. It is less prone to SN sweeping (particularly if it is off-centered) because the coupling efficiency of the explosive energy is much lower than for a diffuse interstellar medium. With the aid of the 3D hydro/ionization code Fyris, we show that sufficient baryons are retained to form stars following a single SN event in dark matter halos down to {M}{vir} ≈ 107 {M}⊙ in the presence of radiative cooling. In these models, the gas survives the SN explosion, is enriched with the specific abundance yields of the discrete events, and reaches surface densities where low-mass stars can form. Our highest-resolution simulations reveal why cooling is so effective in retaining gas compared to any other factor. In the early stages, the super-hot metal-enriched SN ejecta exhibit strong cooling, leading to much of the explosive energy being lost. Consistent with earlier work, the baryons do not survive in smooth or adiabatic models in the event of an SN. The smallest galaxies may not contribute a large fraction of matter to the formation of galaxies, but they carry signatures of the earliest epochs of star formation, as we show. These signatures may allow us to distinguish a small primordial galaxy from one that was stripped down to its present size through tidal interaction. We discuss these results in the context of local UFDs and damped Lyα systems (z ˜ 2) at very low metallicity ([Fe/H] ˜ -3). We show that both classes of objects are consistent with primordial low-mass systems that have experienced only a few enrichment events.

Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown corrections.

PubMed

Reimers, Jeffrey R; McKemmish, Laura K; McKenzie, Ross H; Hush, Noel S

2015-10-14

Using a simple model Hamiltonian, the three correction terms for Born-Oppenheimer (BO) breakdown, the adiabatic diagonal correction (DC), the first-derivative momentum non-adiabatic correction (FD), and the second-derivative kinetic-energy non-adiabatic correction (SD), are shown to all contribute to thermodynamic and spectroscopic properties as well as to thermal non-diabatic chemical reaction rates. While DC often accounts for >80% of thermodynamic and spectroscopic property changes, the commonly used practice of including only the FD correction in kinetics calculations is rarely found to be adequate. For electron-transfer reactions not in the inverted region, the common physical picture that diabatic processes occur because of surface hopping at the transition state is proven inadequate as the DC acts first to block access, increasing the transition state energy by (ℏω)(2)λ/16J(2) (where λ is the reorganization energy, J the electronic coupling and ω the vibration frequency). However, the rate constant in the weakly-coupled Golden-Rule limit is identified as being only inversely proportional to this change rather than exponentially damped, owing to the effects of tunneling and surface hopping. Such weakly-coupled long-range electron-transfer processes should therefore not be described as "non-adiabatic" processes as they are easily described by Born-Huang ground-state adiabatic surfaces made by adding the DC to the BO surfaces; instead, they should be called just "non-Born-Oppenheimer" processes. The model system studied consists of two diabatic harmonic potential-energy surfaces coupled linearly through a single vibration, the "two-site Holstein model". Analytical expressions are derived for the BO breakdown terms, and the model is solved over a large parameter space focusing on both the lowest-energy spectroscopic transitions and the quantum dynamics of coherent-state wavepackets. BO breakdown is investigated pertinent to: ammonia inversion, aromaticity in benzene, the Creutz-Taube ion, the bacterial photosynthetic reaction centre, BNB, the molecular conductor Alq3, and inverted-region charge recombination in a ferrocene-porphyrin-fullerene triad photosynthetic model compound. Throughout, the fundamental nature of BO breakdown is linked to the properties of the cusp catastrophe: the cusp diameter is shown to determine the magnitudes of all couplings, numerical basis-set and trajectory-integration requirements, and to determine the transmission coefficient κ used to understand deviations from transition-state theory.

A density-adaptive SPH method with kernel gradient correction for modeling explosive welding

NASA Astrophysics Data System (ADS)

Liu, M. B.; Zhang, Z. L.; Feng, D. L.

2017-09-01

Explosive welding involves processes like the detonation of explosive, impact of metal structures and strong fluid-structure interaction, while the whole process of explosive welding has not been well modeled before. In this paper, a novel smoothed particle hydrodynamics (SPH) model is developed to simulate explosive welding. In the SPH model, a kernel gradient correction algorithm is used to achieve better computational accuracy. A density adapting technique which can effectively treat large density ratio is also proposed. The developed SPH model is firstly validated by simulating a benchmark problem of one-dimensional TNT detonation and an impact welding problem. The SPH model is then successfully applied to simulate the whole process of explosive welding. It is demonstrated that the presented SPH method can capture typical physics in explosive welding including explosion wave, welding surface morphology, jet flow and acceleration of the flyer plate. The welding angle obtained from the SPH simulation agrees well with that from a kinematic analysis.

Reaction path of energetic materials using THOR code

NASA Astrophysics Data System (ADS)

Durães, L.; Campos, J.; Portugal, A.

1998-07-01

The method of predicting reaction path, using THOR code, allows for isobar and isochor adiabatic combustion and CJ detonation regimes, the calculation of the composition and thermodynamic properties of reaction products of energetic materials. THOR code assumes the thermodynamic equilibria of all possible products, for the minimum Gibbs free energy, using HL EoS. The code allows the possibility of estimating various sets of reaction products, obtained successively by the decomposition of the original reacting compound, as a function of the released energy. Two case studies of thermal decomposition procedure were selected, calculated and discussed—pure Ammonium Nitrate and its based explosive ANFO, and Nitromethane—because their equivalence ratio is respectively lower, near and greater than the stoicheiometry. Predictions of reaction path are in good correlation with experimental values, proving the validity of proposed method.

Deep proton tunneling in the electronically adiabatic and non-adiabatic limits: Comparison of the quantum and classical treatment of donor-acceptor motion in a protein environment

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

Benabbas, Abdelkrim; Salna, Bridget; Sage, J. Timothy

2015-03-21

Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical “gating” distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotopemore » effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working near room temperature. This expression also holds when a broad protein conformational distribution of D-A equilibrium distances dominates the spread of the D-A vibrational wavefunction.« less

Deep proton tunneling in the electronically adiabatic and non-adiabatic limits: comparison of the quantum and classical treatment of donor-acceptor motion in a protein environment.

PubMed

Benabbas, Abdelkrim; Salna, Bridget; Sage, J Timothy; Champion, Paul M

2015-03-21

Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical "gating" distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotope effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working near room temperature. This expression also holds when a broad protein conformational distribution of D-A equilibrium distances dominates the spread of the D-A vibrational wavefunction.

The self-trapping transition in the non-half-filled strongly correlated extended Holstein-Hubbard model in two-dimensions

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

Sankar, I. V., E-mail: ivshankar27@gmail.com; Chatterjee, Ashok, E-mail: ivshankar27@gmail.com

2014-04-24

The two-dimensional extended Holstein-Hubbard model (EHH) has been considered at strong correlation regime in the non-half-filled band case to understand the self-trapping transition of electrons in strongly correlated electron system. We have used the method of optimized canonical transformations to transform an EHH model into an effective extended Hubbard (EEH) model. In the strong on-site correlation limit an EH model can be transformed into a t-J model which is finally solved using Hartree-Fock approximation (HFA). We found that, for non-half-filled band case, the transition is abrupt in the adiabatic region whereas it is continuous in the anti-adiabatic region.

Analytical solution for shear bands in cold-rolled 1018 steel

NASA Astrophysics Data System (ADS)

Voyiadjis, George Z.; Almasri, Amin H.; Faghihi, Danial; Palazotto, Anthony N.

2012-06-01

Cold-rolled 1018 (CR-1018) carbon steel has been well known for its susceptibility to adiabatic shear banding under dynamic loadings. Analysis of these localizations highly depends on the selection of the constitutive model. To deal with this issue, a constitutive model that takes temperature and strain rate effect into account is proposed. The model is motivated by two physical-based models: the Zerilli and Armstrong and the Voyiadjis and Abed models. This material model, however, incorporates a simple softening term that is capable of simulating the softening behavior of CR-1018 steel. Instability, localization, and evolution of adiabatic shear bands are discussed and presented graphically. In addition, the effect of hydrostatic pressure is illustrated.

Converging shock wave focusing and interaction with a target

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

Nitishinskiy, M.; Efimov, S.; Antonov, O.

2016-04-15

Converging shock waves in liquids can be used efficiently in the research of the extreme state of matter and in various applications. In this paper, the recent results related to the interaction of a shock wave with plasma preliminarily formed in the vicinity of the shock wave convergence are presented. The shock wave is produced by the underwater electrical explosion of a spherical wire array. The plasma is generated prior to the shock wave's arrival by a low-pressure gas discharge inside a quartz capillary placed at the equatorial plane of the array. Analysis of the Stark broadening of H{sub α}more » and H{sub β} spectral lines and line-to-continuum ratio, combined with the ratio of the relative intensities of carbon C III/C II and silicon Si III/Si II lines, were used to determine the plasma density and temperature evolution. It was found that during the first ∼200 ns with respect to the beginning of the plasma compression by the shock wave and when the spectral lines are resolved, the plasma density increases from 2 × 10{sup 17 }cm{sup −3} to 5 × 10{sup 17 }cm{sup −3}, while the temperature remains at the same value of 3–4 eV. Further, following the model of an adiabatically imploding capillary, the plasma density increases >10{sup 19 }cm{sup −3}, leading to the continuum spectra obtained experimentally, and the plasma temperature >30 eV at radii of compression of ≤20 μm. The data obtained indicate that the shock wave generated by the underwater electrical explosion of a spherical wire array retains its uniformity during the main part of its convergence.« less

Nonlinear optical detection of electron transfer adiabaticity in metal polypyridyl complexes.

PubMed

Miller, Stephen A; Moran, Andrew M

2010-02-11

Nonlinear optical signatures of electron transfer (ET) adiabaticity are investigated in a prototypical metal polypyridyl system, Os(II)(bpy)(3), known to possess large interligand couplings. Together with a theoretical model, transient absorption anisotropy (TAA) experiments show that field-matter interactions occur with diabatic basis states despite these large couplings. In addition, activated and activationless interligand ET mechanisms are distinguished with a series of TAA experiments in which the pump pulse frequency is tuned over a wide range. At lower pump frequencies, activated interligand ET, which occurs with a time constant of approximately 600 fs, is the dominant mechanism. However, an activationless mechanism becomes most prominent when the pump pulse is tuned by only 800 cm(-1) to higher frequency. This sensitivity of the ET mechanism to the pump frequency agrees with earlier experimental work that estimated an activation energy barrier of 875 cm(-1). The premise of signal interpretation in this paper is that the basis states appropriate for modeling nonradiative relaxation also govern the optical response. Model calculations suggest that optical nonlinearities corresponding to diabatic and adiabatic bases are readily distinguished with TAA experiments. In the diabatic basis, field-matter interaction sequences are restricted to terms in which the pump and probe pulses interact with the same transition dipoles, whereas the adiabatic basis imposes no such restriction and supports a class of coherent cross terms in the nonlinear response function. It is suggested that TAA should be preferred to alternative methods of studying ET adiabaticity that vary solvents and/or temperature. Altering the solvent, for example, generally also impacts solvent reorganization energies and the free energies of the donor and acceptor states. Parallels are discussed between the present work and research aimed at understanding energy transfer mechanisms in molecular aggregates.

Dissipation in adiabatic quantum computers: lessons from an exactly solvable model

NASA Astrophysics Data System (ADS)

Keck, Maximilian; Montangero, Simone; Santoro, Giuseppe E.; Fazio, Rosario; Rossini, Davide

2017-11-01

We introduce and study the adiabatic dynamics of free-fermion models subject to a local Lindblad bath and in the presence of a time-dependent Hamiltonian. The merit of these models is that they can be solved exactly, and will help us to study the interplay between nonadiabatic transitions and dissipation in many-body quantum systems. After the adiabatic evolution, we evaluate the excess energy (the average value of the Hamiltonian) as a measure of the deviation from reaching the final target ground state. We compute the excess energy in a variety of different situations, where the nature of the bath and the Hamiltonian is modified. We find robust evidence of the fact that an optimal working time for the quantum annealing protocol emerges as a result of the competition between the nonadiabatic effects and the dissipative processes. We compare these results with the matrix-product-operator simulations of an Ising system and show that the phenomenology we found also applies for this more realistic case.

On the velocity distribution of ion jets during substorm recovery

NASA Technical Reports Server (NTRS)

Birn, J.; Forbes, T. G.; Hones, E. W., Jr.; Bame, S. J.; Paschmann, G.

1981-01-01

The velocity distribution of earthward jetting ions that are observed principally during substorm recovery by satellites at approximately 15-35 earth radii in the magnetotail is quantitatively compared with two different theoretical models - the 'adiabatic deformation' of an initially flowing Maxwellian moving into higher magnetic field strength (model A) and the field-aligned electrostatic acceleration of an initially nonflowing isotropic Maxwellian including adiabatic deformation effects (model B). The assumption is made that the ions are protons or, more generally, that they consist of only one species. It is found that both models can explain the often observed concave-convex shape of isodensity contours of the distribution function.

Understanding the Thermodynamic Properties of the Elastocaloric Effect Through Experimentation and Modelling

NASA Astrophysics Data System (ADS)

Tušek, Jaka; Engelbrecht, Kurt; Mañosa, Lluis; Vives, Eduard; Pryds, Nini

2016-12-01

This paper presents direct and indirect methods for studying the elastocaloric effect (eCE) in shape memory materials and its comparison. The eCE can be characterized by the adiabatic temperature change or the isothermal entropy change (both as a function of applied stress/strain). To get these quantities, the evaluation of the eCE can be done using either direct methods, where one measures (adiabatic) temperature changes or indirect methods where one can measure the stress-strain-temperature characteristics of the materials and from these deduce the adiabatic temperature and isothermal entropy changes. The former can be done using the basic thermodynamic relations, i.e. Maxwell relation and Clausius-Clapeyron equation. This paper further presents basic thermodynamic properties of shape memory materials, such as the adiabatic temperature change, isothermal entropy change and total entropy-temperature diagrams (all as a function of temperature and applied stress/strain) of two groups of materials (Ni-Ti and Cu-Zn-Al alloys) obtained using indirect methods through phenomenological modelling and Maxwell relation. In the last part of the paper, the basic definition of the efficiency of the elastocaloric thermodynamic cycle (coefficient of performance) is defined and discussed.

Adiabatic quantum computation with neutral atoms via the Rydberg blockade

NASA Astrophysics Data System (ADS)

Goyal, Krittika; Deutsch, Ivan

2011-05-01

We study a trapped-neutral-atom implementation of the adiabatic model of quantum computation whereby the Hamiltonian of a set of interacting qubits is changed adiabatically so that its ground state evolves to the desired output of the algorithm. We employ the ``Rydberg blockade interaction,'' which previously has been used to implement two-qubit entangling gates in the quantum circuit model. Here it is employed via off-resonant virtual dressing of the excited levels, so that atoms always remain in the ground state. The resulting dressed-Rydberg interaction is insensitive to the distance between the atoms within a certain blockade radius, making this process robust to temperature and vibrational fluctuations. Single qubit interactions are implemented with global microwaves and atoms are locally addressed with light shifts. With these ingredients, we study a protocol to implement the two-qubit Quadratic Unconstrained Binary Optimization (QUBO) problem. We model atom trapping, addressing, coherent evolution, and decoherence. We also explore collective control of the many-atom system and generalize the QUBO problem to multiple qubits. We study a trapped-neutral-atom implementation of the adiabatic model of quantum computation whereby the Hamiltonian of a set of interacting qubits is changed adiabatically so that its ground state evolves to the desired output of the algorithm. We employ the ``Rydberg blockade interaction,'' which previously has been used to implement two-qubit entangling gates in the quantum circuit model. Here it is employed via off-resonant virtual dressing of the excited levels, so that atoms always remain in the ground state. The resulting dressed-Rydberg interaction is insensitive to the distance between the atoms within a certain blockade radius, making this process robust to temperature and vibrational fluctuations. Single qubit interactions are implemented with global microwaves and atoms are locally addressed with light shifts. With these ingredients, we study a protocol to implement the two-qubit Quadratic Unconstrained Binary Optimization (QUBO) problem. We model atom trapping, addressing, coherent evolution, and decoherence. We also explore collective control of the many-atom system and generalize the QUBO problem to multiple qubits. We acknowledge funding from the AQUARIUS project, Sandia National Laboratories

Modulation instability in high power laser amplifiers.

PubMed

Rubenchik, Alexander M; Turitsyn, Sergey K; Fedoruk, Michail P

2010-01-18

The modulation instability (MI) is one of the main factors responsible for the degradation of beam quality in high-power laser systems. The so-called B-integral restriction is commonly used as the criteria for MI control in passive optics devices. For amplifiers the adiabatic model, assuming locally the Bespalov-Talanov expression for MI growth, is commonly used to estimate the destructive impact of the instability. We present here the exact solution of MI development in amplifiers. We determine the parameters which control the effect of MI in amplifiers and calculate the MI growth rate as a function of those parameters. The safety range of operational parameters is presented. The results of the exact calculations are compared with the adiabatic model, and the range of validity of the latest is determined. We demonstrate that for practical situations the adiabatic approximation noticeably overestimates MI. The additional margin of laser system design is quantified.

MICROWAVE SPECTROSCOPY OF THE CALCIUM 4snf→4s(n+1)d, 4sng, 4snh, 4sni, AND 4snk TRANSITIONS

NASA Astrophysics Data System (ADS)

Nunkaew, Jirakan; Gallagher, Tom

2015-06-01

We use a delayed field ionization technique to observe the microwave transitions of calcium Rydberg states, from the 4snf states to the 4s(n+1)d, 4sng, 4snh, 4sni, and 4snk states for 18≤ n≤23. We analyze the observed intervals between the ℓ and (ℓ+1), ℓ≥5, states of the same n to determine the Ca^+ 4s dipole and quadrupole polarizabilities. We show that the adiabatic core polarization model is not adequate to extract the Ca^+ 4s dipole and quadrupole polarizabilities and a non adiabatic treatment is required. We use the non adiabatic core polarization model to determine the ionic dipole and quadrupole polarizabilities to be α_d=76.9(3);a_0^3 and α_q=206(9);a_0^5, respectively.

Adiabatic quantum optimization for associative memory recall

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

Seddiqi, Hadayat; Humble, Travis S.

Hopfield networks are a variant of associative memory that recall patterns stored in the couplings of an Ising model. Stored memories are conventionally accessed as fixed points in the network dynamics that correspond to energetic minima of the spin state. We show that memories stored in a Hopfield network may also be recalled by energy minimization using adiabatic quantum optimization (AQO). Numerical simulations of the underlying quantum dynamics allow us to quantify AQO recall accuracy with respect to the number of stored memories and noise in the input key. We investigate AQO performance with respect to how memories are storedmore » in the Ising model according to different learning rules. Our results demonstrate that AQO recall accuracy varies strongly with learning rule, a behavior that is attributed to differences in energy landscapes. Consequently, learning rules offer a family of methods for programming adiabatic quantum optimization that we expect to be useful for characterizing AQO performance.« less

Adiabatic Quantum Optimization for Associative Memory Recall

NASA Astrophysics Data System (ADS)

Seddiqi, Hadayat; Humble, Travis

2014-12-01

Hopfield networks are a variant of associative memory that recall patterns stored in the couplings of an Ising model. Stored memories are conventionally accessed as fixed points in the network dynamics that correspond to energetic minima of the spin state. We show that memories stored in a Hopfield network may also be recalled by energy minimization using adiabatic quantum optimization (AQO). Numerical simulations of the underlying quantum dynamics allow us to quantify AQO recall accuracy with respect to the number of stored memories and noise in the input key. We investigate AQO performance with respect to how memories are stored in the Ising model according to different learning rules. Our results demonstrate that AQO recall accuracy varies strongly with learning rule, a behavior that is attributed to differences in energy landscapes. Consequently, learning rules offer a family of methods for programming adiabatic quantum optimization that we expect to be useful for characterizing AQO performance.

Adiabatic quantum optimization for associative memory recall

DOE PAGES

Seddiqi, Hadayat; Humble, Travis S.

2014-12-22

Hopfield networks are a variant of associative memory that recall patterns stored in the couplings of an Ising model. Stored memories are conventionally accessed as fixed points in the network dynamics that correspond to energetic minima of the spin state. We show that memories stored in a Hopfield network may also be recalled by energy minimization using adiabatic quantum optimization (AQO). Numerical simulations of the underlying quantum dynamics allow us to quantify AQO recall accuracy with respect to the number of stored memories and noise in the input key. We investigate AQO performance with respect to how memories are storedmore » in the Ising model according to different learning rules. Our results demonstrate that AQO recall accuracy varies strongly with learning rule, a behavior that is attributed to differences in energy landscapes. Consequently, learning rules offer a family of methods for programming adiabatic quantum optimization that we expect to be useful for characterizing AQO performance.« less

Thermal diffusivity and adiabatic limit temperature characterization of consolidate granular expanded perlite using the flash method

NASA Astrophysics Data System (ADS)

Raefat, Saad; Garoum, Mohammed; Laaroussi, Najma; Thiam, Macodou; Amarray, Khaoula

2017-07-01

In this work experimental investigation of apparent thermal diffusivity and adiabatic limit temperature of expanded granular perlite mixes has been made using the flash technic. Perlite granulates were sieved to produce essentially three characteristic grain sizes. The consolidated samples were manufactured by mixing controlled proportions of the plaster and water. The effect of the particle size on the diffusivity was examined. The inverse estimation of the diffusivity and the adiabatic limit temperature at the rear face as well as the heat losses coefficients were performed using several numerical global minimization procedures. The function to be minimized is the quadratic distance between the experimental temperature rise at the rear face and the analytical model derived from the one dimension heat conduction. It is shown that, for all granulometry tested, the estimated parameters lead to a good agreement between the mathematical model and experimental data.

An introductory characterization of a combat-casualty-care relevant swine model of closed head injury resulting from exposure to explosive blast.

PubMed

Bauman, Richard A; Ling, Geoffrey; Tong, Lawrence; Januszkiewicz, Adolph; Agoston, Dennis; Delanerolle, Nihal; Kim, Young; Ritzel, Dave; Bell, Randy; Ecklund, James; Armonda, Rocco; Bandak, Faris; Parks, Steven

2009-06-01

Explosive blast has been extensively used as a tactical weapon in Operation Iraqi Freedom (OIF) and more recently in Operation Enduring Freedom(OEF). The polytraumatic nature of blast injuries is evidence of their effectiveness,and brain injury is a frequent and debilitating form of this trauma. In-theater clinical observations of brain-injured casualties have shown that edema, intracranial hemorrhage, and vasospasm are the most salient pathophysiological characteristics of blast injury to the brain. Unfortunately, little is known about exactly how an explosion produces these sequelae as well as others that are less well documented. Consequently, the principal objective of the current report is to present a swine model of explosive blast injury to the brain. This model was developed during Phase I of the DARPA (Defense Advanced Research Projects Agency) PREVENT (Preventing Violent Explosive Neurotrauma) blast research program. A second objective is to present data that illustrate the capabilities of this model to study the proximal biomechanical causes and the resulting pathophysiological, biochemical,neuropathological, and neurological consequences of explosive blast injury to the swine brain. In the concluding section of this article, the advantages and limitations of the model are considered, explosive and air-overpressure models are compared, and the physical properties of an explosion are identified that potentially contributed to the in-theater closed head injuries resulting from explosions of improvised explosive devices (IEDs).

Cosmological solutions in spatially curved universes with adiabatic particle production

NASA Astrophysics Data System (ADS)

Aresté Saló, Llibert; de Haro, Jaume

2017-03-01

We perform a qualitative and thermodynamic study of two models when one takes into account adiabatic particle production. In the first one, there is a constant particle production rate, which leads to solutions depicting the current cosmic acceleration but without inflation. The other one has solutions that unify the early and late time acceleration. These solutions converge asymptotically to the thermal equilibrium.

Tapered holey fibers for spot-size and numerical-aperture conversion.

PubMed

Town, G E; Lizier, J T

2001-07-15

Adiabatically tapered holey fibers are shown to be potentially useful for guided-wave spot-size and numerical-aperture conversion. Conditions for adiabaticity and design guidelines are provided in terms of the effective-index model. We also present finite-difference time-domain calculations of downtapered holey fiber, showing that large spot-size conversion factors are obtainable with minimal loss by use of short, optimally shaped tapers.

Stopping power beyond the adiabatic approximation

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

Caro, M.; Correa, A. A.; Artacho, E.

2017-06-01

Energetic ions traveling in solids deposit energy in a variety of ways, being nuclear and electronic stopping the two avenues in which dissipation is usually treated. This separation between electrons and ions relies on the adiabatic approximation in which ions interact via forces derived from the instantaneous electronic ground state. In a more detailed view, in which non-adiabatic effects are explicitly considered, electronic excitations alter the atomic bonding, which translates into changes in the interatomic forces. In this work, we use time dependent density functional theory and forces derived from the equations of Ehrenfest dynamics that depend instantaneously on themore » time-dependent electronic density. With them we analyze how the inter-ionic forces are affected by electronic excitations in a model of a Ni projectile interacting with a Ni target, a metallic system with strong electronic stopping and shallow core level states. We find that the electronic excitations induce substantial modifications to the inter-ionic forces, which translate into nuclear stopping power well above the adiabatic prediction. Particularly, we observe that most of the alteration of the adiabatic potential in early times comes from the ionization of the core levels of the target ions, not readily screened by the valence electrons.« less

Numerical and analytic models of spontaneous frequency sweeping for energetic particle-driven Alfven eigenmodes

NASA Astrophysics Data System (ADS)

Wang, Ge; Berk, H. L.

2011-10-01

The frequency chirping signal arising from spontaneous a toroidial Alfven eigenmode (TAE) excited by energetic particles is studied for both numerical and analytic models. The time-dependent numerical model is based on the 1D Vlasov equation. We use a sophisticated tracking method to lock onto the resonant structure to enable the chirping frequency to be nearly constant in the calculation frame. The accuracy of the adiabatic approximation is tested during the simulation which justifies the appropriateness of our analytic model. The analytic model uses the adiabatic approximation which allows us to solve the wave evolution equation in frequency space. Then, the resonant interactions between energetic particles and TAE yield predictions for the chirping rate, wave frequency and amplitudes vs. time. Here, an adiabatic invariant J is defined on the separatrix of a chirping mode to determine the region of confinement of the wave trapped distribution function. We examine the asymptotic behavior of the chirping signal for its long time evolution and find agreement in essential features with the results of the simulation. Work supported by Department of Energy contract DE-FC02-08ER54988.

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

Stottmeister, Alexander, E-mail: alexander.stottmeister@gravity.fau.de; Thiemann, Thomas, E-mail: thomas.thiemann@gravity.fau.de

In this article, the third of three, we analyse how the Weyl quantisation for compact Lie groups presented in the second article of this series fits with the projective-phase space structure of loop quantum gravity-type models. Thus, the proposed Weyl quantisation may serve as the main mathematical tool to implement the program of space adiabatic perturbation theory in such models. As we already argued in our first article, space adiabatic perturbation theory offers an ideal framework to overcome the obstacles that hinder the direct implementation of the conventional Born-Oppenheimer approach in the canonical formulation of loop quantum gravity.

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

Eich, F. G.; Agostini, Federica, E-mail: agostini@mpi-halle.mpg.de

We propose a procedure to analyze the relation between the exact factorization of the electron-nuclear wave function and the Born-Oppenheimer approximation. We define the adiabatic limit as the limit of infinite nuclear mass. To this end, we introduce a unit system that singles out the dependence on the electron-nuclear mass ratio of each term appearing in the equations of the exact factorization. We observe how non-adiabatic effects induced by the coupling to the nuclear motion affect electronic properties and we analyze the leading term, connecting it to the classical nuclear momentum. Its dependence on the mass ratio is tested numericallymore » on a model of proton-coupled electron transfer in different non-adiabatic regimes.« less

Supernova neutrinos and explosive nucleosynthesis

NASA Astrophysics Data System (ADS)

Kajino, T.; Aoki, W.; Cheoun, M.-K.; Hayakawa, T.; Hidaka, J.; Hirai, Y.; Mathews, G. J.; Nakamura, K.; Shibagaki, S.; Suzuki, T.

2014-05-01

Core-collapse supernovae eject huge amount of flux of energetic neutrinos. We studied the explosive nucleosyn-thesis in supernovae and found that several isotopes 7Li, 11B, 92Nb, 138La and 180Ta as well as r-process nuclei are affected by the neutrino interactions. The abundance of these isotopes therefore depends strongly on the neutrino flavor oscillation due to the Mikheyev-Smirnov-Wolfenstein (MSW) effect. We discuss first how to determine the neutrino temperatures in order to explain the observed solar system abundances of these isotopes, combined with Galactic chemical evolution of the light nuclei and the heavy r-process elements. We then study the effects of neutrino oscillation on their abundances, and propose a novel method to determine the still unknown neutrino oscillation parameters, mass hierarchy and θ13, simultaneously. There is recent evidence that SiC X grains from the Murchison meteorite may contain supernova-produced light elements 11B and 7Li encapsulated in the presolar grains. Combining the recent experimental constraints on θ13, we show that our method sug-gests at a marginal preference for an inverted neutrino mass hierarchy. Finally, we discuss supernova relic neutrinos that may indicate the softness of the equation of state (EoS) of nuclear matter as well as adiabatic conditions of the neutrino oscillation.

Towards an Empirically Based Parametric Explosion Spectral Model

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

Ford, S R; Walter, W R; Ruppert, S

2009-08-31

Small underground nuclear explosions need to be confidently detected, identified, and characterized in regions of the world where they have never before been tested. The focus of our work is on the local and regional distances (< 2000 km) and phases (Pn, Pg, Sn, Lg) necessary to see small explosions. We are developing a parametric model of the nuclear explosion seismic source spectrum that is compatible with the earthquake-based geometrical spreading and attenuation models developed using the Magnitude Distance Amplitude Correction (MDAC) techniques (Walter and Taylor, 2002). The explosion parametric model will be particularly important in regions without any priormore » explosion data for calibration. The model is being developed using the available body of seismic data at local and regional distances for past nuclear explosions at foreign and domestic test sites. Parametric modeling is a simple and practical approach for widespread monitoring applications, prior to the capability to carry out fully deterministic modeling. The achievable goal of our parametric model development is to be able to predict observed local and regional distance seismic amplitudes for event identification and yield determination in regions with incomplete or no prior history of underground nuclear testing. The relationship between the parametric equations and the geologic and containment conditions will assist in our physical understanding of the nuclear explosion source.« less

Adiabat_1ph 3.0 and the MAGMA website: educational and research tools for studying the petrology and geochemistry of plate margins

NASA Astrophysics Data System (ADS)

Antoshechkina, P. M.; Asimow, P. D.

2010-12-01

Adiabat_1ph is a menu-driven front-end to the MELTS, pMELTS and pHMELTS models of thermodynamic equilibrium in silicate systems. Its public release in late 2004 was described in a software brief in G3 (doi:10.1029/2004GC000816). The software package is available for Windows, MacOS X, and Linux and includes Perl scripts that, if desired, will allow almost complete automation of the calculation process. Adiabat_1ph 3.0 is scheduled for release in October 2010 and includes, for the first time, an option to double-click the run_adiabat.command script and to drag and drop file names from a browser (e.g. Explorer on Windows, Finder on Mac). This alternative mode of operation is particularly suited for teaching at undergraduate and graduate levels, as well as for quick, ad hoc, calculations for research purposes. The original method of invoking the program from the command line is retained for more intensive applications. Version 3.0 is the first to specifically target the Windows 7 and Snow Leopard platforms. The release also includes new features that are relevant to the study of plate margins. The Marianas Trough forms the southern part of the Izu-Bonin-Marianas (IBM) arc system, one of the chosen areas of focus for the MARGINS Subduction Factory initiative. Attempts to model the complicated hydrous fractionation trends observed in this region were the motivation for adding modified versions of the ‘reverse-fractionation’ and ‘amoeba’ routines (see doi:10.1016/S0012-821X(04)00058-5) into adiabat_1ph. The ‘amoeba’ scheme, which varies a trial parental melt composition until forward fractionation yields a specified target composition, has been extended so the best-fit liquid line of descent of a group of samples can be found. We have tested the adiabat_1ph versions using glass compositions from the 9N area of the East Pacific Rise and melt inclusions from the Siqueiros Fracture Zone (see Antoshechkina et al., this meeting). One of the first user requested features to be incorporated into adiabat_1ph after its release was the ability to simulate flux melting, in which a metasomatic fluid or melt, of fixed composition, was added to the system before each equilibration step. This idea was further developed in the coupled dynamic and petrological subduction zone model GyPSM, so that fluid flux into the wedge was controlled by the location of dehydration reactions in the slab. The adiabat_1ph release candidate includes a similar option so that the user may specify assimilated compositions, which evolve as the calculation proceeds. This added flexibility opens up a number of possibilities, such as more realistic simulations of melt-rock reactions at mid-ocean ridges. Adiabat_1ph files may be downloaded from the MAGMA website at http://magmasource.caltech.edu/ and feedback is welcomed at a dedicated forum, especially ideas for new software features. MAGMA is an online resource for the study of mantle melting and magma evolution, hosted by Caltech. As well as MELTS-related resources, there are tools for visualization of binary and ternary phase diagrams. Flash movies of phase diagrams for adiabatic decompression melting of peridotite and pyroxenite sources can be played in a web browser or downloaded from a server.

Model wall and recovery temperature effects on experimental heat transfer data analysis

NASA Technical Reports Server (NTRS)

Throckmorton, D. A.; Stone, D. R.

1974-01-01

Basic analytical procedures are used to illustrate, both qualitatively and quantitatively, the relative impact upon heat transfer data analysis of certain factors which may affect the accuracy of experimental heat transfer data. Inaccurate knowledge of adiabatic wall conditions results in a corresponding inaccuracy in the measured heat transfer coefficient. The magnitude of the resulting error is extreme for data obtained at wall temperatures approaching the adiabatic condition. High model wall temperatures and wall temperature gradients affect the level and distribution of heat transfer to an experimental model. The significance of each of these factors is examined and its impact upon heat transfer data analysis is assessed.

Broadband Evaluation of DPRK Explosions, Collapse Event, and Induced Aftershocks

NASA Astrophysics Data System (ADS)

Mayeda, K.; Roman-Nieves, J. I.; Wagner, G.; Jeon, Y. S.

2017-12-01

We report on the past 6 declared DPRK nuclear explosions, a collapse event, and recent associated induced shear dislocation sources using long-period waveform modeling, direct regional phases, and stable P-coda and S-coda spectral ratios. We find that the recent September 3rd, 2017 explosion is well modeled with an MM71 explosion source model at normal scale depth, but the previous 5 smaller yield explosions exhibit much larger relative high frequency radiation, strongly suggesting they are all over buried by varying amounts. The collapse event that occurred 8 minutes following the September 3rd DPRK explosion shares significant similarities with a number of NTS collapse events for explosions of comparable yield, both in absolute amplitude and spectral fall-off. A large number of smaller sources have been observed, which from stable coda spectral analysis and waveform modeling, are consistent with shallow shear dislocations likely caused by stress redistribution following the past nuclear explosions. We conclude with testing of a new discriminant that is specific to this region.

Flow behind an exponential shock wave in a rotational axisymmetric perfect gas with magnetic field and variable density.

PubMed

Nath, G; Sahu, P K

2016-01-01

A self-similar model for one-dimensional unsteady isothermal and adiabatic flows behind a strong exponential shock wave driven out by a cylindrical piston moving with time according to an exponential law in an ideal gas in the presence of azimuthal magnetic field and variable density is discussed in a rotating atmosphere. The ambient medium is assumed to possess radial, axial and azimuthal component of fluid velocities. The initial density, the fluid velocities and magnetic field of the ambient medium are assumed to be varying with time according to an exponential law. The gas is taken to be non-viscous having infinite electrical conductivity. Solutions are obtained, in both the cases, when the flow between the shock and the piston is isothermal or adiabatic by taking into account the components of vorticity vector. The effects of the variation of the initial density index, adiabatic exponent of the gas and the Alfven-Mach number on the flow-field behind the shock wave are investigated. It is found that the presence of the magnetic field have decaying effects on the shock wave. Also, it is observed that the effect of an increase in the magnetic field strength is more impressive in the case of adiabatic flow than in the case of isothermal flow. The assumption of zero temperature gradient brings a profound change in the density, non-dimensional azimuthal and axial components of vorticity vector distributions in comparison to those in the case of adiabatic flow. A comparison is made between isothermal and adiabatic flows. It is obtained that an increase in the initial density variation index, adiabatic exponent and strength of the magnetic field decrease the shock strength.

Nonadiabatic couplings in the collisional removal of O(2)(b (1)Sigma(g) (+),v) by O(2).

PubMed

Dayou, F; Hernández, M I; Campos-Martínez, J; Hernández-Lamoneda, R

2010-01-28

The effect of nonadiabatic couplings on the collisional removal of O(2)(b (1)Sigma(g) (+),v) by O(2)(X (3)Sigma(g) (-), v=0) is investigated. Two-dimensional adiabatic and quasidiabatic potential energy surfaces for the excited dimer states and the corresponding nonadiabatic radial couplings have been computed by means of ab initio calculations. Alternately, a two-state theoretical model, based on the Landau-Zener and Rosen-Zener-Demkov assumptions, has been employed to derive analytical forms for the nonadiabatic couplings and an adiabatic-to-diabatic transformation only depending on a reduced set of adiabatic energy terms. Compared to the ab initio results, the predictions of the model are found to be highly accurate. Quantum dynamics calculations for the removal of the first ten vibrational states of O(2)(b (1)Sigma(g) (+),v) indicate a clear dominant contribution of the vibration-electronic relaxation mechanism relative to the vibration-translation energy transfer. Although the present reduced-dimensionality model precludes any quantitative comparison with experiments, it is found that the removal probabilities for v=1-3 are qualitatively consistent with the experimental observations, once the vibrational structure of the fragments is corrected with spectroscopical terms. Besides, the model served to show how the computation of the adiabatic PESs just at the crossing seam was sufficient to describe the nonadiabatic dynamics related to a given geometrical arrangement. This implies considerable savings in the calculations which will eventually allow for larger accuracy in the ab initio calculations as well as higher dimensional treatments.

Superadiabatic holonomic quantum computation in cavity QED

NASA Astrophysics Data System (ADS)

Liu, Bao-Jie; Huang, Zhen-Hua; Xue, Zheng-Yuan; Zhang, Xin-Ding

2017-06-01

Adiabatic quantum control is a powerful tool for quantum engineering and a key component in some quantum computation models, where accurate control over the timing of the involved pulses is not needed. However, the adiabatic condition requires that the process be very slow and thus limits its application in quantum computation, where quantum gates are preferred to be fast due to the limited coherent times of the quantum systems. Here, we propose a feasible scheme to implement universal holonomic quantum computation based on non-Abelian geometric phases with superadiabatic quantum control, where the adiabatic manipulation is sped up while retaining its robustness against errors in the timing control. Consolidating the advantages of both strategies, our proposal is thus both robust and fast. The cavity QED system is adopted as a typical example to illustrate the merits where the proposed scheme can be realized in a tripod configuration by appropriately controlling the pulse shapes and their relative strength. To demonstrate the distinct performance of our proposal, we also compare our scheme with the conventional adiabatic strategy.

On the Importance of Adiabatic Heating on Deformation Behavior of Medium-Manganese Sheet Steels

NASA Astrophysics Data System (ADS)

Rana, Radhakanta; De Moor, Emmanuel; Speer, John G.; Matlock, David K.

2018-02-01

The effects of adiabatic heating during deformation of a medium-manganese transformation-induced plasticity steel containing 10.1Mn-1.68Al-0.14C-0.2Si (wt.%) processed with initially 57 vol.% retained austenite were investigated over the temperature range from - 60°C to 100°C at strain rates from 0.002 s-1 to 0.2 s-1. Tensile tests were performed on specimens immersed in isothermal baths, which reduced but did not completely eliminate adiabatic heating. The specimen temperature depended on the extent of adiabatic heating, which increased with strain and strain rate. The measured properties primarily reflected the effects of temperature on austenite stability and the corresponding resistance of austenite transformation to martensite with strain. Changes in austenite stability were monitored by measurements of austenite fractions at a specific strain and observation of microstructures after deformation. The results of this study provide a basis to identify input material parameters required for numerical models applicable to sheet metal forming of medium-Mn steels.

Implementing an ancilla-free 1→M economical phase-covariant quantum cloning machine with superconducting quantum-interference devices in cavity QED

NASA Astrophysics Data System (ADS)

Yu, Long-Bao; Zhang, Wen-Hai; Ye, Liu

2007-09-01

We propose a simple scheme to realize 1→M economical phase-covariant quantum cloning machine (EPQCM) with superconducting quantum interference device (SQUID) qubits. In our scheme, multi-SQUIDs are fixed into a microwave cavity by adiabatic passage for their manipulation. Based on this model, we can realize the EPQCM with high fidelity via adiabatic quantum computation.

Adiabatic expansion, early X-ray data and the central engine in GRBs

NASA Astrophysics Data System (ADS)

Barniol Duran, R.; Kumar, P.

2009-05-01

The Swift satellite early X-ray data show a very steep decay in most of the gamma-ray bursts light curves. This decay is either produced by the rapidly declining continuation of the central engine activity or by some leftover radiation starting right after the central engine shuts off. The latter scenario consists of the emission from an `ember' that cools via adiabatic expansion and, if the jet angle is larger than the inverse of the source Lorentz factor, the large angle emission. In this work, we calculate the temporal and spectral properties of the emission from such a cooling ember, providing a new treatment for the microphysics of the adiabatic expansion. We use the adiabatic invariance of p2⊥/B (p⊥ is the component of the electrons' momentum normal to the magnetic field, B) to calculate the electrons' Lorentz factor during the adiabatic expansion; the electron momentum becomes more and more aligned with the local magnetic field as the expansion develops. We compare the theoretical expectations of the adiabatic expansion (and the large angle emission) with the current observations of the early X-ray data and find that only ~20 per cent of our sample of 107 bursts are potentially consistent with this model. This leads us to believe that, for most bursts, the central engine does not turn off completely during the steep decay of the X-ray light curve; therefore, this phase is produced by the continued rapidly declining activity of the central engine.

An Empirical Non-TNT Approach to Launch Vehicle Explosion Modeling

NASA Technical Reports Server (NTRS)

Blackwood, James M.; Skinner, Troy; Richardson, Erin H.; Bangham, Michal E.

2015-01-01

In an effort to increase crew survivability from catastrophic explosions of Launch Vehicles (LV), a study was conducted to determine the best method for predicting LV explosion environments in the near field. After reviewing such methods as TNT equivalence, Vapor Cloud Explosion (VCE) theory, and Computational Fluid Dynamics (CFD), it was determined that the best approach for this study was to assemble all available empirical data from full scale launch vehicle explosion tests and accidents. Approximately 25 accidents or full-scale tests were found that had some amount of measured blast wave, thermal, or fragment explosion environment characteristics. Blast wave overpressure was found to be much lower in the near field than predicted by most TNT equivalence methods. Additionally, fragments tended to be larger, fewer, and slower than expected if the driving force was from a high explosive type event. In light of these discoveries, a simple model for cryogenic rocket explosions is presented. Predictions from this model encompass all known applicable full scale launch vehicle explosion data. Finally, a brief description of on-going analysis and testing to further refine the launch vehicle explosion environment is discussed.

Towards a predictive thermal explosion model for energetic materials

NASA Astrophysics Data System (ADS)

Yoh, Jack J.; McClelland, Matthew A.; Maienschein, Jon L.; Wardell, Jeffrey F.

2005-01-01

We present an overview of models and computational strategies for simulating the thermal response of high explosives using a multi-physics hydrodynamics code, ALE3D. Recent improvements to the code have aided our computational capability in modeling the behavior of energetic materials systems exposed to strong thermal environments such as fires. We apply these models and computational techniques to a thermal explosion experiment involving the slow heating of a confined explosive. The model includes the transition from slow heating to rapid deflagration in which the time scale decreases from days to hundreds of microseconds. Thermal, mechanical, and chemical effects are modeled during all phases of this process. The heating stage involves thermal expansion and decomposition according to an Arrhenius kinetics model while a pressure-dependent burn model is employed during the explosive phase. We describe and demonstrate the numerical strategies employed to make the transition from slow to fast dynamics. In addition, we investigate the sensitivity of wall expansion rates to numerical strategies and parameters. Results from a one-dimensional model show that violence is influenced by the presence of a gap between the explosive and container. In addition, a comparison is made between 2D model and measured results for the explosion temperature and tube wall expansion profiles.

Moment-Tensor Spectra of Source Physics Experiments (SPE) Explosions in Granite

NASA Astrophysics Data System (ADS)

Yang, X.; Cleveland, M.

2016-12-01

We perform frequency-domain moment tensor inversions of Source Physics Experiments (SPE) explosions conducted in granite during Phase I of the experiment. We test the sensitivity of source moment-tensor spectra to factors such as the velocity model, selected dataset and smoothing and damping parameters used in the inversion to constrain the error bound of inverted source spectra. Using source moments and corner frequencies measured from inverted source spectra of these explosions, we develop a new explosion P-wave source model that better describes observed source spectra of these small and over-buried chemical explosions detonated in granite than classical explosion source models derived mainly from nuclear-explosion data. In addition to source moment and corner frequency, we analyze other features in the source spectra to investigate their physical causes.

CFD analysis of gas explosions vented through relief pipes.

PubMed

Ferrara, G; Di Benedetto, A; Salzano, E; Russo, G

2006-09-21

Vent devices for gas and dust explosions are often ducted to safe locations by means of relief pipes. However, the presence of the duct increases the severity of explosion if compared to simply vented vessels (i.e. compared to cases where no duct is present). Besides, the identification of the key phenomena controlling the violence of explosion has not yet been gained. Multidimensional models coupling, mass, momentum and energy conservation equations can be valuable tools for the analysis of such complex explosion phenomena. In this work, gas explosions vented through ducts have been modelled by a two-dimensional (2D) axi-symmetric computational fluid dynamic (CFD) model based on the unsteady Reynolds Averaged Navier Stokes (RANS) approach in which the laminar, flamelet and distributed combustion models have been implemented. Numerical test have been carried out by varying ignition position, duct diameter and length. Results have evidenced that the severity of ducted explosions is mainly driven by the vigorous secondary explosion occurring in the duct (burn-up) rather than by the duct flow resistance or acoustic enhancement. Moreover, it has been found out that the burn-up affects explosion severity due to the reduction of venting rate rather than to the burning rate enhancement through turbulization.

Non-adiabatic pumping in an oscillating-piston model

NASA Astrophysics Data System (ADS)

Chuchem, Maya; Dittrich, Thomas; Cohen, Doron

2012-05-01

We consider the prototypical "piston pump" operating on a ring, where a circulating current is induced by means of an AC driving. This can be regarded as a generalized Fermi-Ulam model, incorporating a finite-height moving wall (piston) and non-trivial topology (ring). The amount of particles transported per cycle is determined by a layered structure of phase space. Each layer is characterized by a different drift velocity. We discuss the differences compared with the adiabatic and Boltzmann pictures, and highlight the significance of the "diabatic" contribution that might lead to a counter-stirring effect.

Exponential vanishing of the ground-state gap of the quantum random energy model via adiabatic quantum computing

NASA Astrophysics Data System (ADS)

Adame, J.; Warzel, S.

2015-11-01

In this note, we use ideas of Farhi et al. [Int. J. Quantum. Inf. 6, 503 (2008) and Quantum Inf. Comput. 11, 840 (2011)] who link a lower bound on the run time of their quantum adiabatic search algorithm to an upper bound on the energy gap above the ground-state of the generators of this algorithm. We apply these ideas to the quantum random energy model (QREM). Our main result is a simple proof of the conjectured exponential vanishing of the energy gap of the QREM.

Adiabatic density perturbations and matter generation from the minimal supersymmetric standard model.

PubMed

Enqvist, Kari; Kasuya, Shinta; Mazumdar, Anupam

2003-03-07

We propose that the inflaton is coupled to ordinary matter only gravitationally and that it decays into a completely hidden sector. In this scenario both baryonic and dark matter originate from the decay of a flat direction of the minimal supersymmetric standard model, which is shown to generate the desired adiabatic perturbation spectrum via the curvaton mechanism. The requirement that the energy density along the flat direction dominates over the inflaton decay products fixes the flat direction almost uniquely. The present residual energy density in the hidden sector is typically shown to be small.

Smoothly deformed light

NASA Technical Reports Server (NTRS)

Stenholm, Stig

1993-01-01

A single mode cavity is deformed smoothly to change its electromagnetic eigenfrequency. The system is modeled as a simple harmonic oscillator with a varying period. The Wigner function of the problem is obtained exactly by starting with a squeezed initial state. The result is evaluated for a linear change of the cavity length. The approach to the adiabatic limit is investigated. The maximum squeezing is found to occur for smooth change lasting only a fraction of the oscillational period. However, only a factor of two improvement over the adiabatic result proves to be possible. The sudden limit cannot be investigated meaningfully within the model.

Exponential vanishing of the ground-state gap of the quantum random energy model via adiabatic quantum computing

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

Adame, J.; Warzel, S., E-mail: warzel@ma.tum.de

In this note, we use ideas of Farhi et al. [Int. J. Quantum. Inf. 6, 503 (2008) and Quantum Inf. Comput. 11, 840 (2011)] who link a lower bound on the run time of their quantum adiabatic search algorithm to an upper bound on the energy gap above the ground-state of the generators of this algorithm. We apply these ideas to the quantum random energy model (QREM). Our main result is a simple proof of the conjectured exponential vanishing of the energy gap of the QREM.

Nonadiabatic electron response in the Hasegawa-Wakatani equations

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

Stoltzfus-Dueck, T.; Scott, B. D.; Krommes, J. A.

2013-08-15

Tokamak edge turbulence is strongly influenced by parallel electron physics, which relaxes density and potential fluctuations towards electron adiabatic response. Beginning with the paradigmatic Hasegawa-Wakatani equations (HWEs) for resistive tokamak edge turbulence, a unique decomposition of the electric potential (φ) into adiabatic (a) and nonadiabatic (b) portions is derived, based on the requirement that a neither drive nor respond to the parallel current j{sub ∥}. The form of the decomposition clarifies that, at perpendicular scales large relative to the sound radius, the electron adiabatic response controls the nonzonal φ, not the fluctuating density n. Simple energy balance arguments allow onemore » to rigorously bound the ratio of rms nonzonal nonadiabatic fluctuations (b(tilde sign)) relative to adiabatic ones (ã). The role of the vorticity nonlinearity in transferring energy between adiabatic and nonadiabatic fluctuations aids intuitive understanding of self-sustained turbulence in the HWEs. When the normalized parallel resistivity is weak, b(tilde sign) becomes effectively slaved, allowing the reduction to an approximate one-field model that remains valid for strong turbulence. In addition to guiding physical intuition, the one-field reduction should greatly ease further analytical manipulations. Direct numerical simulation of the 2D HWEs confirms the convergence of the asymptotic formula for b(tilde sign)« less

Adiabatic Quantum Transistors (Open Access, Publisher’s Version)

DTIC Science & Technology

2013-06-14

states are the entangled states originally used to perform measurement-based quantum computation [9,19]. To de- fine the Hamiltonian of our system, we need...carries over to our model. Note that fault-tolerant QC requires expunging entropy (usually via measurement), but this can always be placed at the end... entropy of quantum er- rors, and the latter is important for building architectures that are modular and synchronous. A. Adiabatic measurement amplifier

On the conservation of adiabatic invariants for a system of coupled rotators

NASA Astrophysics Data System (ADS)

Benettin, G.; Carati, A.; Fassò, F.

1997-02-01

We study the accuracy of the conservation of adiabatic invariants in a model of n weakly coupled rotators. Most attention is devoted to n = 2 and frequency ω = ( ω1, ω2), with {ω 2}/{ω 1} quadratic irrational. We apply a heuristic approximation scheme, going back to Jeans and to Landau and Teller, and perform a very accurate numerical check of the result, observing a quite remarkable agreement.

Numerical simulation of heat and mass transport during hydration of Portland cement mortar in semi-adiabatic and steam curing conditions.

PubMed

Hernandez-Bautista, E; Bentz, D P; Sandoval-Torres, S; de Cano-Barrita, P F J

2016-05-01

A model that describes hydration and heat-mass transport in Portland cement mortar during steam curing was developed. The hydration reactions are described by a maturity function that uses the equivalent age concept, coupled to a heat and mass balance. The thermal conductivity and specific heat of mortar with water-to-cement mass ratio of 0.30 was measured during hydration, using the Transient Plane Source method. The parameters for the maturity equation and the activation energy were obtained by isothermal calorimetry at 23 °C and 38 °C. Steam curing and semi-adiabatic experiments were carried out to obtain the temperature evolution and moisture profiles were assessed by magnetic resonance imaging. Three specimen geometries were simulated and the results were compared with experimental data. Comparisons of temperature had maximum residuals of 2.5 °C and 5 °C for semi-adiabatic and steam curing conditions, respectively. The model correctly predicts the evaporable water distribution obtained by magnetic resonance imaging.

Adiabatic quantum computation along quasienergies

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

Tanaka, Atushi; Nemoto, Kae; National Institute of Informatics, 2-1-2 Hitotsubashi, Chiyoda ku, Tokyo 101-8430

2010-02-15

The parametric deformations of quasienergies and eigenvectors of unitary operators are applied to the design of quantum adiabatic algorithms. The conventional, standard adiabatic quantum computation proceeds along eigenenergies of parameter-dependent Hamiltonians. By contrast, discrete adiabatic computation utilizes adiabatic passage along the quasienergies of parameter-dependent unitary operators. For example, such computation can be realized by a concatenation of parameterized quantum circuits, with an adiabatic though inevitably discrete change of the parameter. A design principle of adiabatic passage along quasienergy was recently proposed: Cheon's quasienergy and eigenspace anholonomies on unitary operators is available to realize anholonomic adiabatic algorithms [A. Tanaka and M.more » Miyamoto, Phys. Rev. Lett. 98, 160407 (2007)], which compose a nontrivial family of discrete adiabatic algorithms. It is straightforward to port a standard adiabatic algorithm to an anholonomic adiabatic one, except an introduction of a parameter |v>, which is available to adjust the gaps of the quasienergies to control the running time steps. In Grover's database search problem, the costs to prepare |v> for the qualitatively different (i.e., power or exponential) running time steps are shown to be qualitatively different.« less

Scaling laws for ignition at the National Ignition Facility from first principles.

PubMed

Cheng, Baolian; Kwan, Thomas J T; Wang, Yi-Ming; Batha, Steven H

2013-10-01

We have developed an analytical physics model from fundamental physics principles and used the reduced one-dimensional model to derive a thermonuclear ignition criterion and implosion energy scaling laws applicable to inertial confinement fusion capsules. The scaling laws relate the fuel pressure and the minimum implosion energy required for ignition to the peak implosion velocity and the equation of state of the pusher and the hot fuel. When a specific low-entropy adiabat path is used for the cold fuel, our scaling laws recover the ignition threshold factor dependence on the implosion velocity, but when a high-entropy adiabat path is chosen, the model agrees with recent measurements.

Self-similar expansion of adiabatic electronegative dusty plasma

NASA Astrophysics Data System (ADS)

Shahmansouri, M.; Bemooni, A.; Mamun, A. A.

2017-12-01

The self-similar expansion of an adiabatic electronegative dusty plasma (consisting of inertialess adiabatic electrons, inertialess adiabatic ions and inertial adiabatic negatively charged dust fluids) is theoretically investigated by employing the self-similar approach. It is found that the effects of the plasma adiabaticity (represented by the adiabatic index ) and dusty plasma parameters (determined by dust temperature and initial dust population) significantly modify the nature of the plasma expansion. The implications of our results are expected to play an important role in understanding the physics of the expansion of space and laboratory electronegative dusty plasmas.

Revisiting Shock Initiation Modeling of Homogeneous Explosives

NASA Astrophysics Data System (ADS)

Partom, Yehuda

2013-04-01

Shock initiation of homogeneous explosives has been a subject of research since the 1960s, with neat and sensitized nitromethane as the main materials for experiments. A shock initiation model of homogeneous explosives was established in the early 1960s. It involves a thermal explosion event at the shock entrance boundary, which develops into a superdetonation that overtakes the initial shock. In recent years, Sheffield and his group, using accurate experimental tools, were able to observe details of buildup of the superdetonation. There are many papers on modeling shock initiation of heterogeneous explosives, but there are only a few papers on modeling shock initiation of homogeneous explosives. In this article, bulk reaction reactive flow equations are used to model homogeneous shock initiation in an attempt to reproduce experimental data of Sheffield and his group. It was possible to reproduce the main features of the shock initiation process, including thermal explosion, superdetonation, input shock overtake, overdriven detonation after overtake, and the beginning of decay toward Chapman-Jouget (CJ) detonation. The time to overtake (TTO) as function of input pressure was also calculated and compared to the experimental TTO.

Semiclassical modelling of finite-pulse effects on non-adiabatic photodynamics via initial condition filtering: The predissociation of NaI as a test case

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

Martínez-Mesa, Aliezer; Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, D-14476 Potsdam-Golm; Saalfrank, Peter

2015-05-21

Femtosecond-laser pulse driven non-adiabatic spectroscopy and dynamics in molecular and condensed phase systems continue to be a challenge for theoretical modelling. One of the main obstacles is the “curse of dimensionality” encountered in non-adiabatic, exact wavepacket propagation. A possible route towards treating complex molecular systems is via semiclassical surface-hopping schemes, in particular if they account not only for non-adiabatic post-excitation dynamics but also for the initial optical excitation. One such approach, based on initial condition filtering, will be put forward in what follows. As a simple test case which can be compared with exact wavepacket dynamics, we investigate the influencemore » of the different parameters determining the shape of a laser pulse (e.g., its finite width and a possible chirp) on the predissociation dynamics of a NaI molecule, upon photoexcitation of the A(0{sup +}) state. The finite-pulse effects are mapped into the initial conditions for semiclassical surface-hopping simulations. The simulated surface-hopping diabatic populations are in qualitative agreement with the quantum mechanical results, especially concerning the subpicosend photoinduced dynamics, the main deviations being the relative delay of the non-adiabatic transitions in the semiclassical picture. Likewise, these differences in the time-dependent electronic populations calculated via the semiclassical and the quantum methods are found to have a mild influence on the overall probability density distribution. As a result, the branching ratios between the bound and the dissociative reaction channels and the time-evolution of the molecular wavepacket predicted by the semiclassical method agree with those computed using quantum wavepacket propagation. Implications for more challenging molecular systems are given.« less

Studies on the detection and identification of the explosives in the terahertz range

NASA Astrophysics Data System (ADS)

Zhou, Qing-li; Zhang, Cun-lin; Li, Wei-Wei; Mu, Kai-jun; Feng, Rui-shu

2008-03-01

The sensing of the explosives and the related compounds is very important for homeland security and defense. Based on the non-invasive terahertz (THz) technology, we have studied some pure and mixed explosives by using the THz time-domain spectroscopy and have obtained the absorption spectra of those samples. The obtained results show that those explosives can be identified due to their different characterized finger-prints in the terahertz frequency region of 0.2-2.5 THz. Furthermore, the spectra analyses indicate that the shape and peak positions of the spectra for these mixed explosive are mainly determined by their explosive components. In order to identify those different kinds of explosives, we have applied the artificial neural network, which is a mathematical device for modeling complex and non-linear functionalities, to our present work. After the repetitive modeling and adequate training with the known input-output data, the identification of the explosive is realized roughly on a multi-hidden-layers model. It is shown that the neural network analyses of the THz spectra would positively identify the explosives and reduce false alarm rates.

Thermonuclear Explosions from Hybrid C/O/Ne White Dwarf Progenitors Ignited Centrally After Interior Mixing

NASA Astrophysics Data System (ADS)

Augustine, Carlyn

2018-01-01

Type Ia Supernovae are thermonuclear explosions of white dwarf (WD) stars. Past studies predict the existence of "hybrid" white dwarfs, made of a C/O/Ne core with a O/Ne shell, and that these are viable progenitors for supernovae. More recent work found that the C/O core is mixed with the surrounding O/Ne while the WD cools. Inspired by this scenario, we performed simulations of thermonuclear supernovae in the single degenerate paradigm from these hybrid progenitors. Our investigation began by constructing a hybrid white dwarf model with the one-dimensional stellar evolution code MESA. The model was allowed to go through unstable interior mixing ignite carbon burning centrally. The MESA model was then mapped to a two-dimensional initial condition and an explosion simulated from that with FLASH. For comparison, a similar simulation of an explosion was performed from a traditional C/O progenitor WD. Comparing the yields produced by explosion simulations allows us to determine which model produces more 56Ni, and therefore brighter events, and how explosions from these models differ from explosions from previous models without the mixing during the WD cooling.

A reactive flow model with coupled reaction kinetics for detonation and combustion in non-ideal explosives

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

Miller, P.J.

1996-07-01

A new reactive flow model for highly non-ideal explosives and propellants is presented. These compositions, which contain large amounts of metal, upon explosion have reaction kinetics that are characteristic of both fast detonation and slow metal combustion chemistry. A reaction model for these systems was incorporated into the two-dimensional, finite element, Lagrangian hydrodynamic code, DYNA2D. A description of how to determine the model parameters is given. The use of the model and variations are applied to AP, Al, and nitramine underwater explosive and propellant systems.

Experimental realization of noise-induced adiabaticity in nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Wang, Bi-Xue; Xin, Tao; Kong, Xiang-Yu; Wei, Shi-Jie; Ruan, Dong; Long, Gui-Lu

2018-04-01

The adiabatic evolution is the dynamics of an instantaneous eigenstate of a slowly varing Hamiltonian. Recently, an interesting phenomenon shows up that white noises can enhance and even induce adiabaticity, which is in contrast to previous perception that environmental noises always modify and even ruin a designed adiabatic passage. We experimentally realized a noise-induced adiabaticity in a nuclear magnetic resonance system. Adiabatic Hadamard gate and entangled state are demonstrated. The effect of noise on adiabaticity is experimentally exhibited and compared with the noise-free process. We utilized a noise-injected method, which can be applied to other quantum systems.

Transitionless driving on adiabatic search algorithm

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

Oh, Sangchul, E-mail: soh@qf.org.qa; Kais, Sabre, E-mail: kais@purdue.edu; Department of Chemistry, Department of Physics and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907

We study quantum dynamics of the adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolution is studied and visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the non-adiabatic transition probability from exponential decay for the short running time to inverse-square decay in asymptotic running time. The scaling of the critical running time is expressed in terms of the Lambert W function. We derive the transitionless driving Hamiltonian for the adiabatic search algorithm, which makes a quantum state follow the adiabatic path. We demonstrate that a uniform transitionless driving Hamiltonian,more » approximate to the exact time-dependent driving Hamiltonian, can alter the non-adiabatic transition probability from the inverse square decay to the inverse fourth power decay with the running time. This may open up a new but simple way of speeding up adiabatic quantum dynamics.« less

Alternate methodologies to experimentally investigate shock initiation properties of explosives

NASA Astrophysics Data System (ADS)

Svingala, Forrest R.; Lee, Richard J.; Sutherland, Gerrit T.; Benjamin, Richard; Boyle, Vincent; Sickels, William; Thompson, Ronnie; Samuels, Phillip J.; Wrobel, Erik; Cornell, Rodger

2017-01-01

Reactive flow models are desired for new explosive formulations early in the development stage. Traditionally, these models are parameterized by carefully-controlled 1-D shock experiments, including gas-gun testing with embedded gauges and wedge testing with explosive plane wave lenses (PWL). These experiments are easy to interpret due to their 1-D nature, but are expensive to perform and cannot be performed at all explosive test facilities. This work investigates alternative methods to probe shock-initiation behavior of new explosives using widely-available pentolite gap test donors and simple time-of-arrival type diagnostics. These experiments can be performed at a low cost at most explosives testing facilities. This allows experimental data to parameterize reactive flow models to be collected much earlier in the development of an explosive formulation. However, the fundamentally 2-D nature of these tests may increase the modeling burden in parameterizing these models and reduce general applicability. Several variations of the so-called modified gap test were investigated and evaluated for suitability as an alternative to established 1-D gas gun and PWL techniques. At least partial agreement with 1-D test methods was observed for the explosives tested, and future work is planned to scope the applicability and limitations of these experimental techniques.

A mesoscopic reaction rate model for shock initiation of multi-component PBX explosives.

PubMed

Liu, Y R; Duan, Z P; Zhang, Z Y; Ou, Z C; Huang, F L

2016-11-05

The primary goal of this research is to develop a three-term mesoscopic reaction rate model that consists of a hot-spot ignition, a low-pressure slow burning and a high-pressure fast reaction terms for shock initiation of multi-component Plastic Bonded Explosives (PBX). Thereinto, based on the DZK hot-spot model for a single-component PBX explosive, the hot-spot ignition term as well as its reaction rate is obtained through a "mixing rule" of the explosive components; new expressions for both the low-pressure slow burning term and the high-pressure fast reaction term are also obtained by establishing the relationships between the reaction rate of the multi-component PBX explosive and that of its explosive components, based on the low-pressure slow burning term and the high-pressure fast reaction term of a mesoscopic reaction rate model. Furthermore, for verification, the new reaction rate model is incorporated into the DYNA2D code to simulate numerically the shock initiation process of the PBXC03 and the PBXC10 multi-component PBX explosives, and the numerical results of the pressure histories at different Lagrange locations in explosive are found to be in good agreements with previous experimental data. Copyright © 2016 Elsevier B.V. All rights reserved.

Explosion Generated Seismic Waves and P/S Methods of Discrimination from Earthquakes with Insights from the Nevada Source Physics Experiments

NASA Astrophysics Data System (ADS)

Walter, W. R.; Ford, S. R.; Pitarka, A.; Pyle, M. L.; Pasyanos, M.; Mellors, R. J.; Dodge, D. A.

2017-12-01

The relative amplitudes of seismic P-waves to S-waves are effective at identifying underground explosions among a background of natural earthquakes. These P/S methods appear to work best at frequencies above 2 Hz and at regional distances ( >200 km). We illustrate this with a variety of historic nuclear explosion data as well as with the recent DPRK nuclear tests. However, the physical basis for the generation of explosion S-waves, and therefore the predictability of this P/S technique as a function of path, frequency and event properties such as size, depth, and geology, remains incompletely understood. A goal of current research, such as the Source Physics Experiments (SPE), is to improve our physical understanding of the mechanisms of explosion S-wave generation and advance our ability to numerically model and predict them. The SPE conducted six chemical explosions between 2011 and 2016 in the same borehole in granite in southern Nevada. The explosions were at a variety of depths and sizes, ranging from 0.1 to 5 tons TNT equivalent yield. The largest were observed at near regional distances, with P/S ratios comparable to much larger historic nuclear tests. If we control for material property effects, the explosions have very similar P/S ratios independent of yield or magnitude. These results are consistent with explosion S-waves coming mainly from conversion of P- and surface waves, and are inconsistent with source-size based models. A dense sensor deployment for the largest SPE explosion allowed this conversion to be mapped in detail. This is good news for P/S explosion identification, which can work well for very small explosions and may be ultimately limited by S-wave detection thresholds. The SPE also showed explosion P-wave source models need to be updated for small and/or deeply buried cases. We are developing new P- and S-wave explosion models that better match all the empirical data. Historic nuclear explosion seismic data shows that the media in which the explosion takes place is quite important. These material property effects can surprisingly degrade the seismic waveform correlation of even closely spaced explosions in different media. The next phase of the SPE will contrast chemical explosions in dry alluvium with the prior SPE explosions in granite and historic nuclear tests in a variety of media.

Asymptotic theory of intermediate- and high-degree solar acoustic oscillations

NASA Technical Reports Server (NTRS)

Brodsky, M.; Vorontsov, S. V.

1993-01-01

A second-order asymptotic approximation is developed for adiabatic nonradial p-modes of a spherically symmetric star. The exact solutions of adiabatic oscillations are assumed in the outermost layers, where the asymptotic description becomes invalid, which results in a eigenfrequency equation with model-dependent surface phase shift. For lower degree modes, the phase shift is a function of frequency alone; for high-degree modes, its dependence on the degree is explicitly taken into account.

Correlated isocurvature fluctuation in quintessence and suppressed cosmic microwave background anisotropies at low multipoles.

PubMed

Moroi, Takeo; Takahashi, Tomo

2004-03-05

We consider cosmic microwave background (CMB) anisotropy in models with quintessence, taking into account isocurvature fluctuation. It is shown that, if the primordial fluctuation of the quintessence has a correlation with the adiabatic density fluctuations, the CMB angular power spectrum C(l) at low multipoles can be suppressed without affecting C(l) at high multipoles. A possible scenario for generating a correlated mixture of the quintessence and adiabatic fluctuations is also discussed.

Theoretical quantification of shock-timing sensitivities for direct-drive inertial confinement fusion implosions on OMEGA

DOE PAGES

Cao, D.; Boehly, T. R.; Gregor, M. C.; ...

2018-05-16

Using temporally shaped laser pulses, multiple shocks can be launched in direct-drive inertial confinement fusion implosion experiments to set the shell on a desired isentrope or adiabat. The velocity of the first shock and the times at which subsequent shocks catch up to it are measured through the VISAR diagnostic on OMEGA. Simulations reproduce these velocity and shock-merger time measurements when using laser pulses designed for setting mid-adiabat (α ~ 3) implosions, but agreement degrades for lower-adiabat (α ~ 1) designs. Several possibilities for this difference are studied: errors in placing the target at the center of irradiation (target offset),more » variations in energy between the different incident beams (power imbalance), and errors in modeling the laser energy coupled into the capsule. Simulation results indicate that shock timing is most sensitive to details of the density and temperature profiles in the coronal plasma, which influences the laser energy coupled into the target, and only marginally sensitive to target offset and beam power imbalance. A new technique under development to infer coronal profiles using x-ray self-emission imaging can be applied to the pulse shapes used in shock-timing experiments. In conclusion, this will help identify improved physics models to implement in codes and consequently enhance shock-timing predictive capability for low-adiabat pulses.« less

ON THE VIGOR OF MANTLE CONVECTION IN SUPER-EARTHS

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

Miyagoshi, Takehiro; Tachinami, Chihiro; Kameyama, Masanori

2014-01-01

Numerical models are presented to clarify how adiabatic compression affects thermal convection in the mantle of super-Earths ten times the Earth's mass. The viscosity strongly depends on temperature, and the Rayleigh number is much higher than that of the Earth's mantle. The strong effect of adiabatic compression reduces the activity of mantle convection; hot plumes ascending from the bottom of the mantle lose their thermal buoyancy in the middle of the mantle owing to adiabatic decompression, and do not reach the surface. A thick lithosphere, as thick as 0.1 times the depth of the mantle, develops along the surface boundary, and themore » efficiency of convective heat transport measured by the Nusselt number is reduced by a factor of about four compared with the Nusselt number for thermal convection of incompressible fluid. The strong effect of adiabatic decompression is likely to inhibit hot spot volcanism on the surface and is also likely to affect the thermal history of the mantle, and hence, the generation of magnetic field in super-Earths.« less

Narrow-line laser cooling by adiabatic transfer

NASA Astrophysics Data System (ADS)

Norcia, Matthew A.; Cline, Julia R. K.; Bartolotta, John P.; Holland, Murray J.; Thompson, James K.

2018-02-01

We propose and demonstrate a novel laser cooling mechanism applicable to particles with narrow-linewidth optical transitions. By sweeping the frequency of counter-propagating laser beams in a sawtooth manner, we cause adiabatic transfer back and forth between the ground state and a long-lived optically excited state. The time-ordering of these adiabatic transfers is determined by Doppler shifts, which ensures that the associated photon recoils are in the opposite direction to the particle’s motion. This ultimately leads to a robust cooling mechanism capable of exerting large forces via a weak transition and with reduced reliance on spontaneous emission. We present a simple intuitive model for the resulting frictional force, and directly demonstrate its efficacy for increasing the total phase-space density of an atomic ensemble. We rely on both simulation and experimental studies using the 7.5 kHz linewidth 1S0 to 3P1 transition in 88Sr. The reduced reliance on spontaneous emission may allow this adiabatic sweep method to be a useful tool for cooling particles that lack closed cycling transitions, such as molecules.

Highly Charged Rydberg Ions from the Coulomb Explosion of Clusters

NASA Astrophysics Data System (ADS)

Komar, D.; Kazak, L.; Almassarani, M.; Meiwes-Broer, K.-H.; Tiggesbäumker, J.

2018-03-01

Ion emission from a nanoplasma produced in the interaction of intense optical laser pulses with argon clusters is studied resolving simultaneously charge states and recoil energies. By applying appropriate static electric fields we observe that a significant fraction of the ions Arq + (q =1 - 7 ) has electrons with binding energies lower than 150 meV; i.e., nRyd≥15 levels are populated. Charge state changes observed on a μ s time scale can be attributed to electron emission due to autoionizing Rydberg states, indicating that high-ℓ Rydberg levels are populated as well. The experiments support theoretical predictions that a significant fraction of delocalized electrons, which are bound with hundreds of eV to the nanoplasma after the laser exposure, fill up meV bound ion states in the adiabatic expansion. We expect the process to be relevant for the long-term evolution of expanding laser-induced dense plasmas in general.

Supernova constraints on neutrino oscillation and EoS for proto-neutron star

NASA Astrophysics Data System (ADS)

Kajino, T.; Aoki, W.; Cheoun, M.-K.; Hayakawa, T.; Hidaka, J.; Hirai, Y.; Mathews, G. J.; Nakamura, K.; Shibagaki, S.; Suzuki, T.

2014-05-01

Core-collapse supernovae eject huge amount of flux of energetic neutrinos which affect explosive nucleosynthesis of rare isotopes like 7Li, 11B, 92Nb, 138La and Ta and r-process elements. Several isotopes depend strongly on the neutrino flavor oscillation due to the Mikheyev-Smirnov-Wolfenstein (MSW) effect. We here discuss how to determine the neutrino temperatures and propose a method to determine still unknown neutrino oscillation parameters, mass hierarchy and θ13, simultaneously. Combining the recent experimental constraints on θ13 with isotopic ratios of the light elements discovered in presolar grains from the Murchison meteorite, we show that our method suggests at a marginal preference for an inverted neutrino mass hierarchy. We also discuss supernova relic neutrinos that may indicate the softness of the equation of state (EoS) of nuclear matter as well as adiabatic conditions of the neutrino oscillation.

Photodissociation of phenol via nonadiabatic tunneling: Comparison of two ab initio based potential energy surfaces

NASA Astrophysics Data System (ADS)

Xie, Changjian; Guo, Hua

2017-09-01

The nonadiabatic tunneling-facilitated photodissociation of phenol is investigated using a reduced-dimensional quantum model on two ab initio-based coupled potential energy surfaces (PESs). Although dynamics occurs largely on the lower adiabat, the proximity to a conical intersection between the S1 and S2 states requires the inclusion of both the geometric phase (GP) and diagonal Born-Oppenheimer correction (DBOC). The lifetime of the lowest-lying vibronic state is computed using the diabatic and various adiabatic models. The GP and DBOC terms are found to be essential on one set of PESs, but have a small impact on the other.

Extreme Adiabatic Expansion in Micro-gravity: Modeling for the Cold Atomic Laboratory

NASA Astrophysics Data System (ADS)

Sackett, C. A.; Lam, T. C.; Stickney, J. C.; Burke, J. H.

2017-12-01

The upcoming Cold Atom Laboratory mission for the International Space Station will allow the investigation of ultracold gases in a microgravity environment. Cold atomic samples will be produced using evaporative cooling in a magnetic chip trap. We investigate here the possibility to release atoms from the trap via adiabatic expansion. We discuss both general considerations and a detailed model of the planned apparatus. We find that it should be possible to reduce the mean trap confinement frequency to about 0.2 Hz, which will correspond to a three-dimensional sample temperature of about 150 pK and a mean atom velocity of 0.1 mm/s.

Extreme Adiabatic Expansion in Micro-gravity: Modeling for the Cold Atomic Laboratory

NASA Astrophysics Data System (ADS)

Sackett, C. A.; Lam, T. C.; Stickney, J. C.; Burke, J. H.

2018-05-01

The upcoming Cold Atom Laboratory mission for the International Space Station will allow the investigation of ultracold gases in a microgravity environment. Cold atomic samples will be produced using evaporative cooling in a magnetic chip trap. We investigate here the possibility to release atoms from the trap via adiabatic expansion. We discuss both general considerations and a detailed model of the planned apparatus. We find that it should be possible to reduce the mean trap confinement frequency to about 0.2 Hz, which will correspond to a three-dimensional sample temperature of about 150 pK and a mean atom velocity of 0.1 mm/s.

Cosmic microwave background radiation anisotropies in brane worlds.

PubMed

Koyama, Kazuya

2003-11-28

We propose a new formulation to calculate the cosmic microwave background (CMB) spectrum in the Randall-Sundrum two-brane model based on recent progress in solving the bulk geometry using a low energy approximation. The evolution of the anisotropic stress imprinted on the brane by the 5D Weyl tensor is calculated. An impact of the dark radiation perturbation on the CMB spectrum is investigated in a simple model assuming an initially scale-invariant adiabatic perturbation. The dark radiation perturbation induces isocurvature perturbations, but the resultant spectrum can be quite different from the prediction of simple mixtures of adiabatic and isocurvature perturbations due to Weyl anisotropic stress.

Convective stability of a plasma in a system of coupled adiabatic open cells in the Kruskal-Oberman model

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

Arsenin, V. V.; Terekhin, P. N.

2010-08-15

The Kruskal-Oberman kinetic model is used to determine the conditions for the convective stability of a plasma in a system of coupled axisymmetric adiabatic open cells in which the magnetic field curvature has opposite signs. For a combination of a nonparaxial simple mirror cell and a semicusp, the boundaries of the interval of values of the flux coordinate where the plasma can be stable are determined, as well as the range in which the ratio of the pressures in the component cells should lie. Numerical simulations were carried out for different particle distributions over the pitch angle.

Uncertainty analysis of gas flow measurements using clearance-sealed piston provers in the range from 0.0012 g min-1 to 60 g min-1

NASA Astrophysics Data System (ADS)

Bobovnik, G.; Kutin, J.; Bajsić, I.

2016-08-01

This paper deals with an uncertainty analysis of gas flow measurements using a compact, high-speed, clearance-sealed realization of a piston prover. A detailed methodology for the uncertainty analysis, covering the components due to the gas density, dimensional and time measurements, the leakage flow, the density correction factor and the repeatability, is presented. The paper also deals with the selection of the isothermal and adiabatic measurement models, the treatment of the leakage flow and discusses the need for averaging multiple consecutive readings of the piston prover. The analysis is prepared for the flow range (50 000:1) covered by the three interchangeable flow cells. The results show that using the adiabatic measurement model and averaging the multiple readings, the estimated expanded measurement uncertainty of the gas mass flow rate is less than 0.15% in the flow range above 0.012 g min-1, whereas it increases for lower mass flow rates due to the leakage flow related effects. At the upper end of the measuring range, using the adiabatic instead of the isothermal measurement model, as well as averaging multiple readings, proves important.

A kinetic model for the transport of electrons in a graphene layer

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

Fermanian Kammerer, Clotilde, E-mail: Clotilde.Fermanian@u-pec.fr; Méhats, Florian, E-mail: florian.mehats@univ-rennes1.fr

In this article, we propose a new numerical scheme for the computation of the transport of electrons in a graphene device. The underlying quantum model for graphene is a massless Dirac equation, whose eigenvalues display a conical singularity responsible for non-adiabatic transitions between the two modes. We first derive a kinetic model which takes the form of two Boltzmann equations coupled by a collision operator modeling the non-adiabatic transitions. This collision term includes a Landau–Zener transfer term and a jump operator whose presence is essential in order to ensure a good energy conservation during the transitions. We propose an algorithmicmore » realization of the semi-group solving the kinetic model, by a particle method. We give analytic justification of the model and propose a series of numerical experiments studying the influences of the various sources of errors between the quantum and the kinetic models.« less

How Turbulence Enables Core-collapse Supernova Explosions

NASA Astrophysics Data System (ADS)

Mabanta, Quintin A.; Murphy, Jeremiah W.

2018-03-01

An important result in core-collapse supernova (CCSN) theory is that spherically symmetric, one-dimensional simulations routinely fail to explode, yet multidimensional simulations often explode. Numerical investigations suggest that turbulence eases the condition for explosion, but how it does it is not fully understood. We develop a turbulence model for neutrino-driven convection, and show that this turbulence model reduces the condition for explosions by about 30%, in concordance with multidimensional simulations. In addition, we identify which turbulent terms enable explosions. Contrary to prior suggestions, turbulent ram pressure is not the dominant factor in reducing the condition for explosion. Instead, there are many contributing factors, with ram pressure being only one of them, but the dominant factor is turbulent dissipation (TD). Primarily, TD provides extra heating, adding significant thermal pressure and reducing the condition for explosion. The source of this TD power is turbulent kinetic energy, which ultimately derives its energy from the higher potential of an unstable convective profile. Investigating a turbulence model in conjunction with an explosion condition enables insight that is difficult to glean from merely analyzing complex multidimensional simulations. An explosion condition presents a clear diagnostic to explain why stars explode, and the turbulence model allows us to explore how turbulence enables explosion. Although we find that TD is a significant contributor to successful supernova explosions, it is important to note that this work is to some extent qualitative. Therefore, we suggest ways to further verify and validate our predictions with multidimensional simulations.

Symmetry of the Adiabatic Condition in the Piston Problem

ERIC Educational Resources Information Center

Anacleto, Joaquim; Ferreira, J. M.

2011-01-01

This study addresses a controversial issue in the adiabatic piston problem, namely that of the piston being adiabatic when it is fixed but no longer so when it can move freely. It is shown that this apparent contradiction arises from the usual definition of adiabatic condition. The issue is addressed here by requiring the adiabatic condition to be…

Study on the Failure and Energy Absorption Mechanism of Multilayer Explosively Welded Plates Impacted by Spherical Fragments

NASA Astrophysics Data System (ADS)

Zhou, N.; Wang, J. X.; Tang, S. Z.; Tao, Q. C.; Wang, M. X.

2018-01-01

A stereomicroscope, microscopic metallograph, scanning electron microscope, and the ANSYS/LS-DYNA 3D finite-element code were employed to investigate the failure and energy absorption mechanism of two-layer steel/aluminum and three-layer steel/aluminum/steel and aluminum/steel/aluminum explosively welded composite plates impacted by spherical fragments. The effects of layer number, target order, and the combination state of interfaces on the failure and energy absorption mechanism are analyzed based on experimental and numerical results. Results showed that the effect of the combination state of interfaces on the failure mode was pronounced the most compared with other factors. The failure mechanism of the front and middle plates were shearing and plugging, and that of rear plate was ductile deformation when the tied interface failed by tension (or by shearing and plugging when the interface combination remained connected). A narrow adiabatic shear band was formed in the locally yielding plate damaged by shearing and plugging during the penetration process. The amount of energy needed to completely perforate the three-layer composite target was greater than that for a two-layer composite target with the same areal density and total thickness. The protective performance of the steel/aluminum/steel target was better than that of the aluminum/steel/aluminum target with the same areal density.

A Phase Matching, Adiabatic Accelerator

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

Lemery, Francois; Flöttmann, Klaus; Kärtner, Franz

2017-05-01

Tabletop accelerators are a thing of the future. Reducing their size will require scaling down electromagnetic wavelengths; however, without correspondingly high field gradients, particles will be more susceptible to phase-slippage – especially at low energy. We investigate how an adiabatically-tapered dielectric-lined waveguide could maintain phase-matching between the accelerating mode and electron bunch. We benchmark our simple model with CST and implement it into ASTRA; finally we provide a first glimpse into the beam dynamics in a phase-matching accelerator.

Modeling normal shock velocity curvature relations for heterogeneous explosives

NASA Astrophysics Data System (ADS)

Yoo, Sunhee; Crochet, Michael; Pemberton, Steven

2017-01-01

The theory of Detonation Shock Dynamics (DSD) is, in part, an asymptotic method to model a functional form of the relation between the shock normal, its time rate and shock curvature κ. In addition, the shock polar analysis provides a relation between shock angle θ and the detonation velocity Dn that is dependent on the equations of state (EOS) of two adjacent materials. For the axial detonation of an explosive material confined by a cylinder, the shock angle is defined as the angle between the shock normal and the normal to the cylinder liner, located at the intersection of the shock front and cylinder inner wall. Therefore, given an ideal explosive such as PBX-9501 with two functional models determined, a unique, smooth detonation front shape ψ can be determined that approximates the steady state detonation shock front of the explosive. However, experimental measurements of the Dn(κ) relation for heterogeneous explosives such as PBXN-111 [D. K. Kennedy, 2000] are challenging due to the non-smoothness and asymmetry usually observed in the experimental streak records of explosion fronts. Out of many possibilities the asymmetric character may be attributed to the heterogeneity of the explosives; here, material heterogeneity refers to compositions with multiple components and having a grain morphology that can be modeled statistically. Therefore in extending the formulation of DSD to modern novel explosives, we pose two questions: (1) is there any simple hydrodynamic model that can simulate such an asymmetric shock evolution, and (2) what statistics can be derived for the asymmetry using simulations with defined structural heterogeneity in the unreacted explosive? Saenz, Taylor and Stewart [1] studied constitutive models for derivation of the Dn(κ) relation for porous homogeneous explosives and carried out simulations in a spherical coordinate frame. In this paper we extend their model to account for heterogeneity and present shock evolutions in heterogeneous explosives using 2-D hydrodynamic simulations with some statistical examination. As an initial work, we assume that the heterogeneity comes from the local density variation or porosity only.

Generalized Pseudo-Reaction Zone Model for Non-Ideal Explosives

NASA Astrophysics Data System (ADS)

Wescott, Bradley

2007-06-01

The pseudo-reaction zone model was proposed to improve engineering scale simulations when using Detonation Shock Dynamics with high explosives that have a slow reaction component. In this work an extension of the pseudo-reaction zone model is developed for non-ideal explosives that propagate well below their steady-planar Chapman-Jouguet velocity. A programmed burn method utilizing Detonation Shock Dynamics and a detonation velocity dependent pseudo-reaction rate has been developed for non-ideal explosives and applied to the explosive mixture of ammonium nitrate and fuel oil (ANFO). The pseudo-reaction rate is calibrated to the experimentally obtained normal detonation velocity---shock curvature relation. The generalized pseudo-reaction zone model proposed here predicts the cylinder expansion to within 1% by accounting for the slow reaction in ANFO.

Adiabatic evolution of decoherence-free subspaces and its shortcuts

NASA Astrophysics Data System (ADS)

Wu, S. L.; Huang, X. L.; Li, H.; Yi, X. X.

2017-10-01

The adiabatic theorem and shortcuts to adiabaticity for time-dependent open quantum systems are explored in this paper. Starting from the definition of dynamical stable decoherence-free subspace, we show that, under a compact adiabatic condition, the quantum state remains in the time-dependent decoherence-free subspace with an extremely high purity, even though the dynamics of the open quantum system may not be adiabatic. The adiabatic condition mentioned here in the adiabatic theorem for open systems is very similar to that for closed quantum systems, except that the operators required to change slowly are the Lindblad operators. We also show that the adiabatic evolution of decoherence-free subspaces depends on the existence of instantaneous decoherence-free subspaces, which requires that the Hamiltonian of open quantum systems be engineered according to the incoherent control protocol. In addition, shortcuts to adiabaticity for adiabatic decoherence-free subspaces are also presented based on the transitionless quantum driving method. Finally, we provide an example that consists of a two-level system coupled to a broadband squeezed vacuum field to show our theory. Our approach employs Markovian master equations and the theory can apply to finite-dimensional quantum open systems.

Universal adiabatic quantum computation via the space-time circuit-to-Hamiltonian construction.

PubMed

Gosset, David; Terhal, Barbara M; Vershynina, Anna

2015-04-10

We show how to perform universal adiabatic quantum computation using a Hamiltonian which describes a set of particles with local interactions on a two-dimensional grid. A single parameter in the Hamiltonian is adiabatically changed as a function of time to simulate the quantum circuit. We bound the eigenvalue gap above the unique ground state by mapping our model onto the ferromagnetic XXZ chain with kink boundary conditions; the gap of this spin chain was computed exactly by Koma and Nachtergaele using its q-deformed version of SU(2) symmetry. We also discuss a related time-independent Hamiltonian which was shown by Janzing to be capable of universal computation. We observe that in the limit of large system size, the time evolution is equivalent to the exactly solvable quantum walk on Young's lattice.

Non-adiabatic dynamics of molecules in optical cavities

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

Kowalewski, Markus, E-mail: mkowalew@uci.edu; Bennett, Kochise; Mukamel, Shaul, E-mail: smukamel@uci.edu

2016-02-07

Strong coupling of molecules to the vacuum field of micro cavities can modify the potential energy surfaces thereby opening new photophysical and photochemical reaction pathways. While the influence of laser fields is usually described in terms of classical field, coupling to the vacuum state of a cavity has to be described in terms of dressed photon-matter states (polaritons) which require quantized fields. We present a derivation of the non-adiabatic couplings for single molecules in the strong coupling regime suitable for the calculation of the dressed state dynamics. The formalism allows to use quantities readily accessible from quantum chemistry codes likemore » the adiabatic potential energy surfaces and dipole moments to carry out wave packet simulations in the dressed basis. The implications for photochemistry are demonstrated for a set of model systems representing typical situations found in molecules.« less

Experimental realization of non-adiabatic universal quantum gates using geometric Landau-Zener-Stückelberg interferometry

PubMed Central

Wang, Li; Tu, Tao; Gong, Bo; Zhou, Cheng; Guo, Guang-Can

2016-01-01

High fidelity universal gates for quantum bits form an essential ingredient of quantum information processing. In particular, geometric gates have attracted attention because they have a higher intrinsic resistance to certain errors. However, their realization remains a challenge because of the need for complicated quantum control on a multi-level structure as well as meeting the adiabatic condition within a short decoherence time. Here, we demonstrate non-adiabatic quantum operations for a two-level system by applying a well-controlled geometric Landau-Zener-Stückelberg interferometry. By characterizing the gate quality, we also investigate the operation in the presence of realistic dephasing. Furthermore, the result provides an essential model suitable for understanding an interplay of geometric phase and Landau-Zener-Stückelberg process which are well explored separately. PMID:26738875

Universal Adiabatic Quantum Computation via the Space-Time Circuit-to-Hamiltonian Construction

NASA Astrophysics Data System (ADS)

Gosset, David; Terhal, Barbara M.; Vershynina, Anna

2015-04-01

We show how to perform universal adiabatic quantum computation using a Hamiltonian which describes a set of particles with local interactions on a two-dimensional grid. A single parameter in the Hamiltonian is adiabatically changed as a function of time to simulate the quantum circuit. We bound the eigenvalue gap above the unique ground state by mapping our model onto the ferromagnetic X X Z chain with kink boundary conditions; the gap of this spin chain was computed exactly by Koma and Nachtergaele using its q -deformed version of SU(2) symmetry. We also discuss a related time-independent Hamiltonian which was shown by Janzing to be capable of universal computation. We observe that in the limit of large system size, the time evolution is equivalent to the exactly solvable quantum walk on Young's lattice.

Low-power adiabatic sequences for in-vivo localized two-dimensional chemical shift correlated MR spectroscopy

PubMed Central

Andronesi, Ovidiu C.; Ramadan, Saadallah; Mountford, Carolyn E.; Sorensen, A. Gregory

2011-01-01

Novel low-power adiabatic sequences are demonstrated for in-vivo localized two-dimensional (2D) correlated MR spectroscopy, such as COSY (Correlated Spectroscopy) and TOCSY (Total Correlated Spectroscopy). The design is based on three new elements for in-vivo 2D MRS: the use of gradient modulated constant adiabaticity GOIA-W(16,4) pulses for i) localization (COSY and TOCSY) and ii) mixing (TOCSY), and iii) the use of longitudinal mixing (z-filter) for magnetization transfer during TOCSY. GOIA-W(16,4) provides accurate signal localization, and more importantly, lowers the SAR for both TOCSY mixing and localization. Longitudinal mixing improves considerably (five-folds) the efficiency of TOCSY transfer. These are markedly different from previous 1D editing TOCSY sequences using spatially non-selective pulses and transverse mixing. Fully adiabatic (adiabatic mixing with adiabatic localization) and semi-adiabatic (adiabatic mixing with non-adiabatic localization) methods for 2D TOCSY are compared. Results are presented for simulations, phantoms, and in-vivo 2D spectra from healthy volunteers and patients with brain tumors obtained on 3T clinical platforms equipped with standard hardware. To the best of our knowledge this is the first demonstration of in-vivo adiabatic 2D TOCSY and fully adiabatic 2D COSY. It is expected that these methodological developments will advance the in-vivo applicability of multi(spectrally)dimensional MRS to reliably identify metabolic biomarkers. PMID:20890988

Experimental Adiabatic Quantum Factorization under Ambient Conditions Based on a Solid-State Single Spin System.

PubMed

Xu, Kebiao; Xie, Tianyu; Li, Zhaokai; Xu, Xiangkun; Wang, Mengqi; Ye, Xiangyu; Kong, Fei; Geng, Jianpei; Duan, Changkui; Shi, Fazhan; Du, Jiangfeng

2017-03-31

The adiabatic quantum computation is a universal and robust method of quantum computing. In this architecture, the problem can be solved by adiabatically evolving the quantum processor from the ground state of a simple initial Hamiltonian to that of a final one, which encodes the solution of the problem. Adiabatic quantum computation has been proved to be a compatible candidate for scalable quantum computation. In this Letter, we report on the experimental realization of an adiabatic quantum algorithm on a single solid spin system under ambient conditions. All elements of adiabatic quantum computation, including initial state preparation, adiabatic evolution (simulated by optimal control), and final state read-out, are realized experimentally. As an example, we found the ground state of the problem Hamiltonian S_{z}I_{z} on our adiabatic quantum processor, which can be mapped to the factorization of 35 into its prime factors 5 and 7.

Experimental Adiabatic Quantum Factorization under Ambient Conditions Based on a Solid-State Single Spin System

NASA Astrophysics Data System (ADS)

Xu, Kebiao; Xie, Tianyu; Li, Zhaokai; Xu, Xiangkun; Wang, Mengqi; Ye, Xiangyu; Kong, Fei; Geng, Jianpei; Duan, Changkui; Shi, Fazhan; Du, Jiangfeng

2017-03-01

The adiabatic quantum computation is a universal and robust method of quantum computing. In this architecture, the problem can be solved by adiabatically evolving the quantum processor from the ground state of a simple initial Hamiltonian to that of a final one, which encodes the solution of the problem. Adiabatic quantum computation has been proved to be a compatible candidate for scalable quantum computation. In this Letter, we report on the experimental realization of an adiabatic quantum algorithm on a single solid spin system under ambient conditions. All elements of adiabatic quantum computation, including initial state preparation, adiabatic evolution (simulated by optimal control), and final state read-out, are realized experimentally. As an example, we found the ground state of the problem Hamiltonian SzIz on our adiabatic quantum processor, which can be mapped to the factorization of 35 into its prime factors 5 and 7.

Analysis and iterative equalization of transient and adiabatic chirp effects in DML-based OFDM transmission systems.

PubMed

Wei, Chia-Chien

2012-11-05

This work theoretically studies the transmission performance of a DML-based OFDM system by small-signal approximation, and the model considers both the transient and adiabatic chirps. The dispersion-induced distortion is modeled as subcarrier-to-subcarrier intermixing interference (SSII), and the theoretical SSII agrees with the distortion obtained from large-signal simulation statistically and deterministically. The analysis shows that the presence of the adiabatic chirp will ease power fading or even provide gain, but will increase the SSII to deteriorate OFDM signals after dispersive transmission. Furthermore, this work also proposes a novel iterative equalization to eliminate the SSII. From the simulation, the distortion could be effectively mitigated by the proposed equalization such that the maximum transmission distance of the DML-based OFDM signal is significantly improved. For instance, the transmission distance of a 30-Gbps DML-based OFDM signal can be extended from 10 km to more than 100 km. Besides, since the dispersion-induced distortion could be effectively mitigated by the equalization, negative power penalties are observed at some distances due to chirp-induced power gain.

Energetic Aspects of Non-Radial Solar-Like Oscillations in Red Giants

NASA Astrophysics Data System (ADS)

Dupret, Marc-Antoine; Belkacem, Kévin

The non-radial oscillations discovered by CoRoT (see e.g. de Ridder et al. (2009)) and by Kepler(see e.g. Bedding et al. (2010)) in thousands of red giants constitute a wonderful mine of information to determine their global characteristics and probe their internal structure. A. Miglio and J. Montalbán have presented in detail in this conference the seismic structure of red giants, the information hold by their oscillation frequencies, and how it can be used. An adiabatic analysis of the oscillations was sufficient at this level as the frequencies are mainly determined by the deep layers were the oscillatons are quasi-adiabatic. We consider here energetic aspects of non-radial oscillations in red-giants. Non-adiabatic models of solar-like oscillations are required to determine the theoretical amplitude and lifetimes of the modes. These parameters allow us to determine how power spectra are expected to look like, depending on the structure of the red giant. Comparison with the observed measures gives thus additional constraints on the models.

Resonances in the cumulative reaction probability for a model electronically nonadiabatic reaction

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

Qi, J.; Bowman, J.M.

1996-05-01

The cumulative reaction probability, flux{endash}flux correlation function, and rate constant are calculated for a model, two-state, electronically nonadiabatic reaction, given by Shin and Light [S. Shin and J. C. Light, J. Chem. Phys. {bold 101}, 2836 (1994)]. We apply straightforward generalizations of the flux matrix/absorbing boundary condition approach of Miller and co-workers to obtain these quantities. The upper adiabatic electronic potential supports bound states, and these manifest themselves as {open_quote}{open_quote}recrossing{close_quote}{close_quote} resonances in the cumulative reaction probability, at total energies above the barrier to reaction on the lower adiabatic potential. At energies below the barrier, the cumulative reaction probability for themore » coupled system is shifted to higher energies relative to the one obtained for the ground state potential. This is due to the effect of an additional effective barrier caused by the nuclear kinetic operator acting on the ground state, adiabatic electronic wave function, as discussed earlier by Shin and Light. Calculations are reported for five sets of electronically nonadiabatic coupling parameters. {copyright} {ital 1996 American Institute of Physics.}« less

Numerical simulation of heat and mass transport during hydration of Portland cement mortar in semi-adiabatic and steam curing conditions

PubMed Central

Hernandez-Bautista, E.; Bentz, D. P.; Sandoval-Torres, S.; de Cano-Barrita, P. F. J.

2015-01-01

A model that describes hydration and heat-mass transport in Portland cement mortar during steam curing was developed. The hydration reactions are described by a maturity function that uses the equivalent age concept, coupled to a heat and mass balance. The thermal conductivity and specific heat of mortar with water-to-cement mass ratio of 0.30 was measured during hydration, using the Transient Plane Source method. The parameters for the maturity equation and the activation energy were obtained by isothermal calorimetry at 23 °C and 38 °C. Steam curing and semi-adiabatic experiments were carried out to obtain the temperature evolution and moisture profiles were assessed by magnetic resonance imaging. Three specimen geometries were simulated and the results were compared with experimental data. Comparisons of temperature had maximum residuals of 2.5 °C and 5 °C for semi-adiabatic and steam curing conditions, respectively. The model correctly predicts the evaporable water distribution obtained by magnetic resonance imaging. PMID:27022208

Understanding the shock and detonation response of high explosives at the continuum and meso scales

NASA Astrophysics Data System (ADS)

Handley, C. A.; Lambourn, B. D.; Whitworth, N. J.; James, H. R.; Belfield, W. J.

2018-03-01

The shock and detonation response of high explosives has been an active research topic for more than a century. In recent years, high quality data from experiments using embedded gauges and other diagnostic techniques have inspired the development of a range of new high-fidelity computer models for explosives. The experiments and models have led to new insights, both at the continuum scale applicable to most shock and detonation experiments, and at the mesoscale relevant to hotspots and burning within explosive microstructures. This article reviews the continuum and mesoscale models, and their application to explosive phenomena, gaining insights to aid future model development and improved understanding of the physics of shock initiation and detonation propagation. In particular, it is argued that "desensitization" and the effect of porosity on high explosives can both be explained by the combined effect of thermodynamics and hydrodynamics, rather than the traditional hotspot-based explanations linked to pressure-dependent reaction rates.

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

Leskovar, Matjaz; Koncar, Bostjan

An ex-vessel steam explosion may occur when during a severe reactor accident the reactor vessel fails and the molten core pours into the water in the reactor cavity. A steam explosion is a fuel coolant interaction process where the heat transfer from the melt to water is so intense and rapid that the timescale for heat transfer is shorter than the timescale for pressure relief. This can lead to the formation of shock waves and production of missiles at later times, during the expansion of the highly pressurized water vapor, that may endanger surrounding structures. In contrast to specialized steammore » explosion CFD codes, where the steam explosion is modeled on micro-scale using fundamental averaged multiphase flow conservation equations, in the presented approach the steam explosion is modeled in a simplified manner as an expanding high-pressure pre-mixture of dispersed molten fuel, liquid water and vapor. Applying the developed steam explosion model, a comprehensive analysis of the ex-vessel steam explosion in a typical PWR reactor cavity was done using the CFD code CFX-10. At four selected locations, which are of importance for the assessment of the vulnerability of cavity structures, the pressure histories were recorded and the corresponding pressure impulses calculated. The pressure impulses determine the destructive potential of the steam explosion and represent the input for the structural mechanical analysis of the cavity structures. The simulation results show that the pressure impulses depend mainly on the steam explosion energy conversion ratio, whereas the influence of the pre-mixture vapor volume fraction, which is a parameter in our model and determines the maximum steam explosion pressure, is not significant. (authors)« less

HERMES: A Model to Describe Deformation, Burning, Explosion, and Detonation

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

Reaugh, J E

2011-11-22

HERMES (High Explosive Response to MEchanical Stimulus) was developed to fill the need for a model to describe an explosive response of the type described as BVR (Burn to Violent Response) or HEVR (High Explosive Violent Response). Characteristically this response leaves a substantial amount of explosive unconsumed, the time to reaction is long, and the peak pressure developed is low. In contrast, detonations characteristically consume all explosive present, the time to reaction is short, and peak pressures are high. However, most of the previous models to describe explosive response were models for detonation. The earliest models to describe the responsemore » of explosives to mechanical stimulus in computer simulations were applied to intentional detonation (performance) of nearly ideal explosives. In this case, an ideal explosive is one with a vanishingly small reaction zone. A detonation is supersonic with respect to the undetonated explosive (reactant). The reactant cannot respond to the pressure of the detonation before the detonation front arrives, so the precise compressibility of the reactant does not matter. Further, the mesh sizes that were practical for the computer resources then available were large with respect to the reaction zone. As a result, methods then used to model detonations, known as {beta}-burn or program burn, were not intended to resolve the structure of the reaction zone. Instead, these methods spread the detonation front over a few finite-difference zones, in the same spirit that artificial viscosity is used to spread the shock front in inert materials over a few finite-difference zones. These methods are still widely used when the structure of the reaction zone and the build-up to detonation are unimportant. Later detonation models resolved the reaction zone. These models were applied both to performance, particularly as it is affected by the size of the charge, and to situations in which the stimulus was less than that needed for reliable performance, whether as a result of accident, hazard, or a fault in the detonation train. These models describe the build-up of detonation from a shock stimulus. They are generally consistent with the mesoscale picture of ignition at many small defects in the plane of the shock front and the growth of the resulting hot-spots, leading to detonation in heterogeneous explosives such as plastic-bonded explosives (PBX). The models included terms for ignition, and also for the growth of reaction as tracked by the local mass fraction of product gas, {lambda}. The growth of reaction in such models incorporates a form factor that describes the change of surface area per unit volume (specific surface area) as the reaction progresses. For unimolecular crystalline-based explosives, the form factor is consistent with the mesoscale picture of a galaxy of hot spots burning outward and eventually interacting with each other. For composite explosives and propellants, where the fuel and oxidizer are segregated, the diffusion flame at the fuel-oxidizer interface can be interpreted with a different form factor that corresponds to grains burning inward from their surfaces. The form factor influences the energy release rate, and the amount of energy released in the reaction zone. Since the 19th century, gun and cannon propellants have used perforated geometric shapes that produce an increasing surface area as the propellant burns. This helps maintain the pressure as burning continues while the projectile travels down the barrel, which thereby increases the volume of the hot gas. Interior ballistics calculations use a geometric form factor to describe the changing surface area precisely. As a result, with a suitably modified form factor, detonation models can represent burning and explosion in damaged and broken reactant. The disadvantage of such models in application to accidents is that the ignition term does not distinguish between a value of pressure that results from a shock, and the same pressure that results from a more gradual increase. This disagrees with experiments, where explosives were subjected to a gradual rise in pressure and did not exhibit reaction. More recent models do distinguish between slow pressure rises and shocks, and have had some success in the describing the response of explosives to single and multiple shocks, and the increase of shock sensitivity with porosity, at least over a limited range. The original formulation is appropriate for sustained shocks, but further work is ongoing to describe the response to short pulses. The HERMES model combines features from these prior models. It describes burning and explosion in damaged reactant, and also will develop a detonation if the gradual rise in pressure from burning steepens into a strong-enough shock. The shock strength needed for detonation in a fixed run distance decreases with increasing porosity.« less

Source characterization of underground explosions from hydrodynamic-to-elastic coupling simulations

NASA Astrophysics Data System (ADS)

Chiang, A.; Pitarka, A.; Ford, S. R.; Ezzedine, S. M.; Vorobiev, O.

2017-12-01

A major improvement in ground motion simulation capabilities for underground explosion monitoring during the first phase of the Source Physics Experiment (SPE) is the development of a wave propagation solver that can propagate explosion generated non-linear near field ground motions to the far-field. The calculation is done using a hybrid modeling approach with a one-way hydrodynamic-to-elastic coupling in three dimensions where near-field motions are computed using GEODYN-L, a Lagrangian hydrodynamics code, and then passed to WPP, an elastic finite-difference code for seismic waveform modeling. The advancement in ground motion simulation capabilities gives us the opportunity to assess moment tensor inversion of a realistic volumetric source with near-field effects in a controlled setting, where we can evaluate the recovered source properties as a function of modeling parameters (i.e. velocity model) and can provide insights into previous source studies on SPE Phase I chemical shots and other historical nuclear explosions. For example the moment tensor inversion of far-field SPE seismic data demonstrated while vertical motions are well-modeled using existing velocity models large misfits still persist in predicting tangential shear wave motions from explosions. One possible explanation we can explore is errors and uncertainties from the underlying Earth model. Here we investigate the recovered moment tensor solution, particularly on the non-volumetric component, by inverting far-field ground motions simulated from physics-based explosion source models in fractured material, where the physics-based source models are based on the modeling of SPE-4P, SPE-5 and SPE-6 near-field data. The hybrid modeling approach provides new prospects in modeling explosion source and understanding the uncertainties associated with it.

Test of the stress sensitization model in adolescents following the pipeline explosion.

PubMed

Shao, Di; Gao, Qing-Ling; Li, Jie; Xue, Jiao-Mei; Guo, Wei; Long, Zhou-Ting; Cao, Feng-Lin

2015-10-01

The stress sensitization model states that early traumatic experiences increase vulnerability to the adverse effects of subsequent stressful life events. This study examined the effect of stress sensitization on development of posttraumatic stress disorder (PTSD) symptoms in Chinese adolescents who experienced the pipeline explosion. A total of 670 participants completed self-administered questionnaires on demographic characteristics and degree of explosion exposure, the Childhood Trauma Questionnaire (CTQ), and the Posttraumatic Stress Disorder Checklist-Civilian Version (PCL-C). Associations among the variables were explored using MANOVA, and main effects and interactions were analyzed. Overall MANOVA tests with the PCL-C indicated significant differences for gender (F=6.86, p=.000), emotional abuse (F=6.79, p=.000), and explosion exposure (F=22.40, p=.000). There were significant interactions between emotional abuse and explosion exposure (F=3.98, p=.008) and gender and explosion exposure (F=2.93, p=.033). Being female, childhood emotional abuse, and a high explosion exposure were associated with high PTSD symptom levels. Childhood emotional abuse moderated the effect of explosion exposure on PTSD symptoms. Thus, stress sensitization influenced the development of PTSD symptoms in Chinese adolescents who experienced the pipeline explosion as predicted by the model. Copyright © 2015 Elsevier Inc. All rights reserved.

Communication: Note on detailed balance in symmetrical quasi-classical models for electronically non-adiabatic dynamics

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

Miller, William H., E-mail: millerwh@berkeley.edu; Cotton, Stephen J., E-mail: StephenJCotton47@gmail.com

2015-04-07

It is noted that the recently developed symmetrical quasi-classical (SQC) treatment of the Meyer-Miller (MM) model for the simulation of electronically non-adiabatic dynamics provides a good description of detailed balance, even though the dynamics which results from the classical MM Hamiltonian is “Ehrenfest dynamics” (i.e., the force on the nuclei is an instantaneous coherent average over all electronic states). This is seen to be a consequence of the SQC windowing methodology for “processing” the results of the trajectory calculation. For a particularly simple model discussed here, this is shown to be true regardless of the choice of windowing function employedmore » in the SQC model, and for a more realistic full classical molecular dynamics simulation, it is seen to be maintained correctly for very long time.« less

Singularity of the time-energy uncertainty in adiabatic perturbation and cycloids on a Bloch sphere

PubMed Central

Oh, Sangchul; Hu, Xuedong; Nori, Franco; Kais, Sabre

2016-01-01

Adiabatic perturbation is shown to be singular from the exact solution of a spin-1/2 particle in a uniformly rotating magnetic field. Due to a non-adiabatic effect, its quantum trajectory on a Bloch sphere is a cycloid traced by a circle rolling along an adiabatic path. As the magnetic field rotates more and more slowly, the time-energy uncertainty, proportional to the length of the quantum trajectory, calculated by the exact solution is entirely different from the one obtained by the adiabatic path traced by the instantaneous eigenstate. However, the non-adiabatic Aharonov- Anandan geometric phase, measured by the area enclosed by the exact path, approaches smoothly the adiabatic Berry phase, proportional to the area enclosed by the adiabatic path. The singular limit of the time-energy uncertainty and the regular limit of the geometric phase are associated with the arc length and arc area of the cycloid on a Bloch sphere, respectively. Prolate and curtate cycloids are also traced by different initial states outside and inside of the rolling circle, respectively. The axis trajectory of the rolling circle, parallel to the adiabatic path, is shown to be an example of transitionless driving. The non-adiabatic resonance is visualized by the number of cycloid arcs. PMID:26916031

CONDITIONS FOR SUCCESSFUL HELIUM DETONATIONS IN ASTROPHYSICAL ENVIRONMENTS

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

Holcomb, Cole; Guillochon, James; De Colle, Fabio

2013-07-01

Several models for Type Ia-like supernova events rely on the production of a self-sustained detonation powered by nuclear reactions. In the absence of hydrogen, the fuel that powers these detonations typically consists of either pure helium (He) or a mixture of carbon and oxygen (C/O). Studies that systematically determine the conditions required to initiate detonations in C/O material exist, but until now no analogous investigation of He matter has been conducted. We perform one-dimensional reactive hydrodynamical simulations at a variety of initial density and temperature combinations and find critical length scales for the initiation of He detonations that range betweenmore » 1 and 10{sup 10} cm. A simple estimate of the length scales over which the total consumption of fuel will occur for steady-state detonations is provided by the Chapman-Jouguet (CJ) formalism. Our initiation lengths are consistently smaller than the corresponding CJ length scales by a factor of {approx}100, providing opportunities for thermonuclear explosions in a wider range of low-mass white dwarfs (WDs) than previously thought possible. We find that virialized WDs with as little mass as 0.24 M{sub Sun} can be detonated, and that even less massive WDs can be detonated if a sizable fraction of their mass is raised to a higher adiabat. That the initiation length is exceeded by the CJ length implies that certain systems may not reach nuclear statistical equilibrium within the time it takes a detonation to traverse the object. In support of this hypothesis, we demonstrate that incomplete burning will occur in the majority of He WD detonations and that {sup 40}Ca, {sup 44}Ti, or {sup 48}Cr, rather than {sup 56}Ni, is the predominant burning product for many of these events. We anticipate that a measure of the quantity of the intermediate-mass elements and {sup 56}Ni produced in a helium-rich thermonuclear explosion can potentially be used to constrain the nature of the progenitor system.« less

Generalized Pseudo-Reaction Zone Model for Non-Ideal Explosives

NASA Astrophysics Data System (ADS)

Wescott, B. L.

2007-12-01

The pseudo-reaction zone model was proposed to improve engineering scale simulations with high explosives that have a slow reaction component. In this work an extension of the pseudo-reaction zone model is developed for non-ideal explosives that propagate well below the steady-planar Chapman-Jouguet velocity. A programmed burn method utilizing Detonation Shock Dynamics (DSD) and a detonation velocity dependent pseudo-reaction rate has been developed for non-ideal explosives and applied to the explosive mixture of ammonium nitrate and fuel oil (ANFO). The pseudo-reaction rate is calibrated to the experimentally obtained normal detonation velocity—shock curvature relation. Cylinder test simulations predict the proper expansion to within 1% even though significant reaction occurs as the cylinder expands.

Model of large pool fires.

PubMed

Fay, J A

2006-08-21

A two zone entrainment model of pool fires is proposed to depict the fluid flow and flame properties of the fire. Consisting of combustion and plume zones, it provides a consistent scheme for developing non-dimensional scaling parameters for correlating and extrapolating pool fire visible flame length, flame tilt, surface emissive power, and fuel evaporation rate. The model is extended to include grey gas thermal radiation from soot particles in the flame zone, accounting for emission and absorption in both optically thin and thick regions. A model of convective heat transfer from the combustion zone to the liquid fuel pool, and from a water substrate to cryogenic fuel pools spreading on water, provides evaporation rates for both adiabatic and non-adiabatic fires. The model is tested against field measurements of large scale pool fires, principally of LNG, and is generally in agreement with experimental values of all variables.

An evaluation of the Johnson-Cook model to simulate puncture of 7075 aluminum plates.

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

Corona, Edmundo; Orient, George Edgar

The objective of this project was to evaluate the use of the Johnson-Cook strength and failure models in an adiabatic finite element model to simulate the puncture of 7075- T651 aluminum plates that were studied as part of an ASC L2 milestone by Corona et al (2012). The Johnson-Cook model parameters were determined from material test data. The results show a marked improvement, in particular in the calculated threshold velocity between no puncture and puncture, over those obtained in 2012. The threshold velocity calculated using a baseline model is just 4% higher than the mean value determined from experiment, inmore » contrast to 60% in the 2012 predictions. Sensitivity studies showed that the threshold velocity predictions were improved by calibrating the relations between the equivalent plastic strain at failure and stress triaxiality, strain rate and temperature, as well as by the inclusion of adiabatic heating.« less

Experimental model of the role of cracks in the mechanism of explosive eruption of St. Helens-80

NASA Astrophysics Data System (ADS)

Kedrinskii, V. K.; Skulkin, A. A.

2017-07-01

A unique mini model of explosive volcano eruption through a formed system of cracks is developed. The process of crack formation and development is simulated by electric explosion of a conductor in a plate of optically transparent organic glass submerged into water. The explosion of a wire aligned with a through hole in the plate generates shock-wave loading along the plate and forms cracks. The fundamental role of high velocity flow in crack wedging by a high power hydrodynamic flow of a pulsating explosion cavity has been demonstrated.

Vacuum polarization of the quantized massive fields in Friedman-Robertson-Walker spacetime

NASA Astrophysics Data System (ADS)

Matyjasek, Jerzy; Sadurski, Paweł; Telecka, Małgorzata

2014-04-01

The stress-energy tensor of the quantized massive fields in a spatially open, flat, and closed Friedman-Robertson-Walker universe is constructed using the adiabatic regularization (for the scalar field) and the Schwinger-DeWitt approach (for the scalar, spinor, and vector fields). It is shown that the stress-energy tensor calculated in the sixth adiabatic order coincides with the result obtained from the regularized effective action, constructed from the heat kernel coefficient a3. The behavior of the tensor is examined in the power-law cosmological models, and the semiclassical Einstein field equations are solved exactly in a few physically interesting cases, such as the generalized Starobinsky models.

Shock-wave flow regimes at entry into the diffuser of a hypersonic ramjet engine: Influence of physical properties of the gas medium

NASA Astrophysics Data System (ADS)

Tarnavskii, G. A.

2006-07-01

The physical aspects of the effective-adiabatic-exponent model making it possible to decompose the total problem on modeling of high-velocity gas flows into individual subproblems (“physicochemical processes” and “ aeromechanics”), which ensures the creation of a universal and efficient computer complex divided into a number of independent units, have been analyzed. Shock-wave structures appearing at entry into the duct of a hypersonic aircraft have been investigated based on this methodology, and the influence of the physical properties of the gas medium in a wide range of variations of the effective adiabatic exponent has been studied.

Nanosecond laser ablation of target Al in a gaseous medium: explosive boiling

NASA Astrophysics Data System (ADS)

Mazhukin, V. I.; Mazhukin, A. V.; Demin, M. M.; Shapranov, A. V.

2018-03-01

An approximate mathematical description of the processes of homogeneous nucleation and homogeneous evaporation (explosive boiling) of a metal target (Al) under the influence of ns laser radiation is proposed in the framework of the hydrodynamic model. Within the continuum approach, a multi-phase, multi-front hydrodynamic model and a computational algorithm are designed to simulate nanosecond laser ablation of the metal targets immersed in gaseous media. The proposed approach is intended for modeling and detailed analysis of the mechanisms of heterogeneous and homogeneous evaporation and their interaction with each other. It is shown that the proposed model and computational algorithm allow modeling of interrelated mechanisms of heterogeneous and homogeneous evaporation of metals, manifested in the form of pulsating explosive boiling. Modeling has shown that explosive evaporation in metals is due to the presence of a near-surface temperature maximum. It has been established that in nanosecond pulsed laser ablation, such exposure regimes can be implemented in which phase explosion is the main mechanism of material removal.

Toward Improved Fidelity of Thermal Explosion Simulations

NASA Astrophysics Data System (ADS)

Nichols, Albert; Becker, Richard; Burnham, Alan; Howard, W. Michael; Knap, Jarek; Wemhoff, Aaron

2009-06-01

We present results of an improved thermal/chemical/mechanical model of HMX based explosives like LX04 and LX10 for thermal cook-off. The original HMX model and analysis scheme were developed by Yoh et.al. for use in the ALE3D modeling framework. The improvements were concentrated in four areas. First, we added porosity to the chemical material model framework in ALE3D used to model HMX explosive formulations to handle the roughly 2% porosity in solid explosives. Second, we improved the HMX reaction network, which included the addition of a reactive phase change model base on work by Henson et.al. Third, we added early decomposition gas species to the CHEETAH material database to improve equations of state for gaseous intermediates and products. Finally, we improved the implicit mechanics module in ALE3D to more naturally handle the long time scales associated with thermal cookoff. The application of the resulting framework to the analysis of the Scaled Thermal Explosion (STEX) experiments will be discussed.

Shock Interaction of Metal Particles in Condensed Explosive Detonation

NASA Astrophysics Data System (ADS)

Ripley, Robert; Zhang, Fan; Lien, Fue-Sang

2005-07-01

For detonation propagation in a condensed explosive with metal particles, a macro-scale physical model describing the momentum transfer between the explosive and particles has yet to be completely established. Previous 1D and 2D meso-scale modeling studies indicated that significant momentum transfer from the explosive to the particles occurs as the leading shock front crosses the particles, thus influencing the initiation and detonation structure. In this work, 3D meso-scale modeling is conducted to further study the two-phase momentum transfer during the shock diffraction and subsequent detonation in liquid nitromethane containing packed metal particles. Detonation of the condensed explosive is computed using an Arrhenius reaction model and a hybrid EOS model that combines the Mie-Gruneisen equation for reactants and the JWL equation for products. The compressible particles are modeled using the Tait EOS, where the material strength is negligible. The effect of particle packing configuration and inter-particle spacing is shown by parametric studies. Finally, a physical description of the momentum transfer is discussed.

Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111).

PubMed

Kroes, Geert-Jan; Pavanello, Michele; Blanco-Rey, María; Alducin, Maite; Auerbach, Daniel J

2014-08-07

Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of the incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction ("EF") model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated "post" ("p") the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy loss in the range 0.2-0.3 eV due to ehp excitation, which should be possible to observe. The average non-adiabatic energy losses for non-penetrative scattering exceed the adiabatic losses to phonons by 0.9-1.0 eV. This suggests that for scattering of hyperthermal H-atoms from coinage metals the dominant energy dissipation channel should be to ehp excitation. These predictions can be tested by experiments that combine techniques for generating H-atom beams that are well resolved in translational energy and for detecting the scattered atoms with high energy-resolution.

Ballistically Initiated Fire Ball Generation Using M&S: Innovation Grant (Briefing Charts)

DTIC Science & Technology

2012-01-26

isotropic in nature Phenomenological models for explosives initiation. – HVRB, forest fire etc. Equation of state – Ideal gas, Mie-Gruneisen, JWL ...perfectly plastic description • EOS • Mie Gruneisen • JWL for explosive • Phenomenological Model for EFP • High Explosive input for programmed burn

Shortcuts to adiabaticity by counterdiabatic driving for trapped-ion displacement in phase space

PubMed Central

An, Shuoming; Lv, Dingshun; del Campo, Adolfo; Kim, Kihwan

2016-01-01

The application of adiabatic protocols in quantum technologies is severely limited by environmental sources of noise and decoherence. Shortcuts to adiabaticity by counterdiabatic driving constitute a powerful alternative that speed up time-evolution while mimicking adiabatic dynamics. Here we report the experimental implementation of counterdiabatic driving in a continuous variable system, a shortcut to the adiabatic transport of a trapped ion in phase space. The resulting dynamics is equivalent to a ‘fast-motion video' of the adiabatic trajectory. The robustness of this protocol is shown to surpass that of competing schemes based on classical local controls and Fourier optimization methods. Our results demonstrate that shortcuts to adiabaticity provide a robust speedup of quantum protocols of wide applicability in quantum technologies. PMID:27669897

Adiabatic leakage elimination operator in an experimental framework

NASA Astrophysics Data System (ADS)

Wang, Zhao-Ming; Byrd, Mark S.; Jing, Jun; Wu, Lian-Ao

2018-06-01

Adiabatic evolution is used in a variety of quantum information processing tasks. However, the elimination of errors is not as well developed as it is for circuit model processing. Here, we present a strategy to improve the performance of a quantum adiabatic process by adding leakage elimination operators (LEOs) to the evolution. These are a sequence of pulse controls acting in an adiabatic subspace to eliminate errors by suppressing unwanted transitions. Using the Feshbach P Q partitioning technique, we obtain an analytical solution for a set of pulse controls. The effectiveness of the LEO is independent of the specific form of the pulse but depends on the average frequency of the control function. By observing that the evolution of the target eigenstate is governed by a periodic function appearing in the integral of the control function, we show that control parameters can be chosen in such a way that the instantaneous eigenstates of the system are unchanged, yet a speedup can be achieved by suppressing transitions. Furthermore, we give the exact expression of the control function for a counter unitary transformation to be used in experiments which provides a clear physical meaning for the LEO, aiding in the implementation.

Molecular wave function and effective adiabatic potentials calculated by extended multi-configuration time-dependent Hartree-Fock method

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

Kato, Tsuyoshi; Ide, Yoshihiro; Yamanouchi, Kaoru

We first calculate the ground-state molecular wave function of 1D model H{sub 2} molecule by solving the coupled equations of motion formulated in the extended multi-configuration time-dependent Hartree-Fock (MCTDHF) method by the imaginary time propagation. From the comparisons with the results obtained by the Born-Huang (BH) expansion method as well as with the exact wave function, we observe that the memory size required in the extended MCTDHF method is about two orders of magnitude smaller than in the BH expansion method to achieve the same accuracy for the total energy. Second, in order to provide a theoretical means to understandmore » dynamical behavior of the wave function, we propose to define effective adiabatic potential functions and compare them with the conventional adiabatic electronic potentials, although the notion of the adiabatic potentials is not used in the extended MCTDHF approach. From the comparison, we conclude that by calculating the effective potentials we may be able to predict the energy differences among electronic states even for a time-dependent system, e.g., time-dependent excitation energies, which would be difficult to be estimated within the BH expansion approach.« less

Siphon flows in isolated magnetic flux tubes. II - Adiabatic flows

NASA Technical Reports Server (NTRS)

Montesinos, Benjamin; Thomas, John H.

1989-01-01

This paper extends the study of steady siphon flows in isolated magnetic flux tubes surrounded by field-free gas to the case of adiabatic flows. The basic equations governing steady adiabatic siphon flows in a thin, isolated magnetic flux tube are summarized, and qualitative features of adiabatic flows in elevated, arched flux tubes are discussed. The equations are then cast in nondimensional form and the results of numerical computations of adiabatic siphon flows in arched flux tubes are presented along with comparisons between isothermal and adiabatic flows. The effects of making the interior of the flux tube hotter or colder than the surrounding atmosphere at the upstream footpoint of the arch is considered. In this case, is it found that the adiabatic flows are qualitatively similar to the isothermal flows, with adiabatic cooling producing quantitative differences. Critical flows can produce a bulge point in the rising part of the arch and a concentration of magnetic flux above the bulge point.

The development of explosions in axisymmetric ab initio core-collapse supernova simulations of 12–25 M ⊙ stars

DOE PAGES

Bruenn, Stephen W.; Lentz, Eric J.; Hix, William Raphael; ...

2016-02-16

We present four ab initio axisymmetric core-collapse supernova simulations initiated from 12, 15, 20, and 25 M⊙ zero-age main sequence progenitors. All of the simulations yield explosions and have been evolved for at least 1.2 s after core bounce and 1 s after material first becomes unbound. These simulations were computed with our Chimera code employing RbR spectral neutrino transport, special and general relativistic transport effects, and state-of-the-art neutrino interactions. Continuing the evolution beyond 1 s after core bounce allows the explosions to develop more fully and the processes involved in powering the explosions to become more clearly evident. Wemore » compute explosion energy estimates, including the negative gravitational binding energy of the stellar envelope outside the expanding shock, of 0.34, 0.88, 0.38, and 0.70 Bethe (B ≡ 10 51 erg) and increasing at 0.03, 0.15, 0.19, and 0.52 B S–1, respectively, for the 12, 15, 20, and 25 M⊙ models at the endpoint of this report. We examine the growth of the explosion energy in our models through detailed analyses of the energy sources and flows. We discuss how the explosion energies may be subject to stochastic variations as exemplfied by the effect of the explosion geometry of the 20 M⊙ model in reducing its explosion energy. We compute the proto-neutron star masses and kick velocities. In conclusion, we compare our results for the explosion energies and ejected 56Ni masses against some observational standards despite the large error bars in both models and observations.« less

The development of explosions in axisymmetric ab initio core-collapse supernova simulations of 12–25 M ⊙ stars

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

Bruenn, Stephen W.; Lentz, Eric J.; Hix, William Raphael

We present four ab initio axisymmetric core-collapse supernova simulations initiated from 12, 15, 20, and 25 M⊙ zero-age main sequence progenitors. All of the simulations yield explosions and have been evolved for at least 1.2 s after core bounce and 1 s after material first becomes unbound. These simulations were computed with our Chimera code employing RbR spectral neutrino transport, special and general relativistic transport effects, and state-of-the-art neutrino interactions. Continuing the evolution beyond 1 s after core bounce allows the explosions to develop more fully and the processes involved in powering the explosions to become more clearly evident. Wemore » compute explosion energy estimates, including the negative gravitational binding energy of the stellar envelope outside the expanding shock, of 0.34, 0.88, 0.38, and 0.70 Bethe (B ≡ 10 51 erg) and increasing at 0.03, 0.15, 0.19, and 0.52 B S–1, respectively, for the 12, 15, 20, and 25 M⊙ models at the endpoint of this report. We examine the growth of the explosion energy in our models through detailed analyses of the energy sources and flows. We discuss how the explosion energies may be subject to stochastic variations as exemplfied by the effect of the explosion geometry of the 20 M⊙ model in reducing its explosion energy. We compute the proto-neutron star masses and kick velocities. In conclusion, we compare our results for the explosion energies and ejected 56Ni masses against some observational standards despite the large error bars in both models and observations.« less

Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer

NASA Astrophysics Data System (ADS)

Peters, William K.; Tiwari, Vivek; Jonas, David M.

2017-11-01

The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between adiabatic states. For all initial conditions investigated, the initial nonadiabatic electronic motion is driven towards the lower adiabatic state, and criteria for this directed motion are discussed.

Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer.

PubMed

Peters, William K; Tiwari, Vivek; Jonas, David M

2017-11-21

The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between adiabatic states. For all initial conditions investigated, the initial nonadiabatic electronic motion is driven towards the lower adiabatic state, and criteria for this directed motion are discussed.

Electronically nonadiabatic wave packet propagation using frozen Gaussian scattering

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

Kondorskiy, Alexey D., E-mail: kondor@sci.lebedev.ru; Nanbu, Shinkoh, E-mail: shinkoh.nanbu@sophia.ac.jp

2015-09-21

We present an approach, which allows to employ the adiabatic wave packet propagation technique and semiclassical theory to treat the nonadiabatic processes by using trajectory hopping. The approach developed generates a bunch of hopping trajectories and gives all additional information to incorporate the effect of nonadiabatic coupling into the wave packet dynamics. This provides an interface between a general adiabatic frozen Gaussian wave packet propagation method and the trajectory surface hopping technique. The basic idea suggested in [A. D. Kondorskiy and H. Nakamura, J. Chem. Phys. 120, 8937 (2004)] is revisited and complemented in the present work by the elaborationmore » of efficient numerical algorithms. We combine our approach with the adiabatic Herman-Kluk frozen Gaussian approximation. The efficiency and accuracy of the resulting method is demonstrated by applying it to popular benchmark model systems including three Tully’s models and 24D model of pyrazine. It is shown that photoabsorption spectrum is successfully reproduced by using a few hundreds of trajectories. We employ the compact finite difference Hessian update scheme to consider feasibility of the ab initio “on-the-fly” simulations. It is found that this technique allows us to obtain the reliable final results using several Hessian matrix calculations per trajectory.« less

A hybrid approach to simulation of electron transfer in complex molecular systems

PubMed Central

Kubař, Tomáš; Elstner, Marcus

2013-01-01

Electron transfer (ET) reactions in biomolecular systems represent an important class of processes at the interface of physics, chemistry and biology. The theoretical description of these reactions constitutes a huge challenge because extensive systems require a quantum-mechanical treatment and a broad range of time scales are involved. Thus, only small model systems may be investigated with the modern density functional theory techniques combined with non-adiabatic dynamics algorithms. On the other hand, model calculations based on Marcus's seminal theory describe the ET involving several assumptions that may not always be met. We review a multi-scale method that combines a non-adiabatic propagation scheme and a linear scaling quantum-chemical method with a molecular mechanics force field in such a way that an unbiased description of the dynamics of excess electron is achieved and the number of degrees of freedom is reduced effectively at the same time. ET reactions taking nanoseconds in systems with hundreds of quantum atoms can be simulated, bridging the gap between non-adiabatic ab initio simulations and model approaches such as the Marcus theory. A major recent application is hole transfer in DNA, which represents an archetypal ET reaction in a polarizable medium. Ongoing work focuses on hole transfer in proteins, peptides and organic semi-conductors. PMID:23883952

Non-adiabatic molecular dynamics with complex quantum trajectories. I. The diabatic representation.

PubMed

Zamstein, Noa; Tannor, David J

2012-12-14

We extend a recently developed quantum trajectory method [Y. Goldfarb, I. Degani, and D. J. Tannor, J. Chem. Phys. 125, 231103 (2006)] to treat non-adiabatic transitions. Each trajectory evolves on a single surface according to Newton's laws with complex positions and momenta. The transfer of amplitude between surfaces stems naturally from the equations of motion, without the need for surface hopping. In this paper we derive the equations of motion and show results in the diabatic representation, which is rarely used in trajectory methods for calculating non-adiabatic dynamics. We apply our method to the first two benchmark models introduced by Tully [J. Chem. Phys. 93, 1061 (1990)]. Besides giving the probability branching ratios between the surfaces, the method also allows the reconstruction of the time-dependent wavepacket. Our results are in quantitative agreement with converged quantum mechanical calculations.

Quantum phases with differing computational power.

PubMed

Cui, Jian; Gu, Mile; Kwek, Leong Chuan; Santos, Marcelo França; Fan, Heng; Vedral, Vlatko

2012-05-01

The observation that concepts from quantum information has generated many alternative indicators of quantum phase transitions hints that quantum phase transitions possess operational significance with respect to the processing of quantum information. Yet, studies on whether such transitions lead to quantum phases that differ in their capacity to process information remain limited. Here we show that there exist quantum phase transitions that cause a distinct qualitative change in our ability to simulate certain quantum systems under perturbation of an external field by local operations and classical communication. In particular, we show that in certain quantum phases of the XY model, adiabatic perturbations of the external magnetic field can be simulated by local spin operations, whereas the resulting effect within other phases results in coherent non-local interactions. We discuss the potential implications to adiabatic quantum computation, where a computational advantage exists only when adiabatic perturbation results in coherent multi-body interactions.

Entropy Production Within a Pulsed Bose-Einstein Condensate

NASA Astrophysics Data System (ADS)

Heinisch, Christoph; Holthaus, Martin

2016-10-01

We suggest to subject anharmonically trapped Bose-Einstein condensates to sinusoidal forcing with a smooth, slowly changing envelope, and to measure the coherence of the system after such pulses. In a series of measurements with successively increased maximum forcing strength, one then expects an adiabatic return of the condensate to its initial state as long as the pulses remain sufficiently weak. In contrast, once the maximum driving amplitude exceeds a certain critical value there should be a drastic loss of coherence, reflecting significant heating induced by the pulse. This predicted experimental signature is traced to the loss of an effective adiabatic invariant, and to the ensuing breakdown of adiabatic motion of the system's Floquet state when the many-body dynamics become chaotic. Our scenario is illustrated with the help of a two-site model of a forced bosonic Josephson junction, but should also hold for other, experimentally accessible configurations.

Modeling a Material's Instantaneous Velocity during Acceleration Driven by a Detonation's Gas-Push Process

NASA Astrophysics Data System (ADS)

Backofen, Joseph E.

2005-07-01

This paper will describe both the scientific findings and the model developed in order to quantfy a material's instantaneous velocity versus position, time, or the expansion ratio of an explosive's gaseous products while its gas pressure is accelerating the material. The formula derived to represent this gas-push process for the 2nd stage of the BRIGS Two-Step Detonation Propulsion Model was found to fit very well the published experimental data available for twenty explosives. When the formula's two key parameters (the ratio Vinitial / Vfinal and ExpansionRatioFinal) were adjusted slightly from the average values describing closely many explosives to values representing measured data for a particular explosive, the formula's representation of that explosive's gas-push process was improved. The time derivative of the velocity formula representing acceleration and/or pressure compares favorably to Jones-Wilkins-Lee equation-of-state model calculations performed using published JWL parameters.

Adiabatic quantum computation in open systems.

PubMed

Sarandy, M S; Lidar, D A

2005-12-16

We analyze the performance of adiabatic quantum computation (AQC) subject to decoherence. To this end, we introduce an inherently open-systems approach, based on a recent generalization of the adiabatic approximation. In contrast to closed systems, we show that a system may initially be in an adiabatic regime, but then undergo a transition to a regime where adiabaticity breaks down. As a consequence, the success of AQC depends sensitively on the competition between various pertinent rates, giving rise to optimality criteria.

Adiabatic Quantum Computation with Neutral Cesium

NASA Astrophysics Data System (ADS)

Hankin, Aaron; Parazzoli, L.; Chou, Chin-Wen; Jau, Yuan-Yu; Burns, George; Young, Amber; Kemme, Shanalyn; Ferdinand, Andrew; Biedermann, Grant; Landahl, Andrew; Ivan H. Deutsch Collaboration; Mark Saffman Collaboration

2013-05-01

We are implementing a new platform for adiabatic quantum computation (AQC) based on trapped neutral atoms whose coupling is mediated by the dipole-dipole interactions of Rydberg states. Ground state cesium atoms are dressed by laser fields in a manner conditional on the Rydberg blockade mechanism, thereby providing the requisite entangling interactions. As a benchmark we study a Quadratic Unconstrained Binary Optimization (QUBO) problem whose solution is found in the ground state spin configuration of an Ising-like model. University of New Mexico: Ivan H. Deutsch, Tyler Keating, Krittika Goyal.

Adiabatic regularization for gauge fields and the conformal anomaly

NASA Astrophysics Data System (ADS)

Chu, Chong-Sun; Koyama, Yoji

2017-03-01

Adiabatic regularization for quantum field theory in conformally flat spacetime is known for scalar and Dirac fermion fields. In this paper, we complete the construction by establishing the adiabatic regularization scheme for the gauge field. We show that the adiabatic expansion for the mode functions and the adiabatic vacuum can be defined in a similar way using Wentzel-Kramers-Brillouin-type (WKB-type) solutions as the scalar fields. As an application of the adiabatic method, we compute the trace of the energy momentum tensor and reproduce the known result for the conformal anomaly obtained by the other regularization methods. The availability of the adiabatic expansion scheme for the gauge field allows one to study various renormalized physical quantities of theories coupled to (non-Abelian) gauge fields in conformally flat spacetime, such as conformal supersymmetric Yang Mills, inflation, and cosmology.

ENVIRONMENTAL TECHNOLOGY VERIFICATION REPORT, EXPLOSIVES DETECTION TECHNOLOGY, SRI INSTRUMENTS, MODEL 8610C, GAS CHROMATOGRAPH/THERMIONIC IONIZATION DETECTION

EPA Science Inventory

The SRI Model 86 1 OC gas chromatograph (GC) is a transportable instrument that can provide on-site analysis of soils for explosives. Coupling this transportable gas chromatograph with a thermionic ionization detector (TID) allows for the determination of explosives in soil matri...

Supernova simulations from a 3D progenitor model - Impact of perturbations and evolution of explosion properties

NASA Astrophysics Data System (ADS)

Müller, Bernhard; Melson, Tobias; Heger, Alexander; Janka, Hans-Thomas

2017-11-01

We study the impact of large-scale perturbations from convective shell burning on the core-collapse supernova explosion mechanism using 3D multigroup neutrino hydrodynamics simulations of an 18M⊙ progenitor. Seed asphericities in the O shell, obtained from a recent 3D model of O shell burning, help trigger a neutrino-driven explosion 330 ms after bounce whereas the shock is not revived in a model based on a spherically symmetric progenitor for at least another 300 ms. We tentatively infer a reduction of the critical luminosity for shock revival by ˜ 20 {per cent} due to pre-collapse perturbations. This indicates that convective seed perturbations play an important role in the explosion mechanism in some progenitors. We follow the evolution of the 18M⊙ model into the explosion phase for more than 2 s and find that the cycle of accretion and mass ejection is still ongoing at this stage. With a preliminary value of 7.7 × 1050 erg for the diagnostic explosion energy, a baryonic neutron star mass of 1.85M⊙, a neutron star kick of ˜ 600 km s^{-1} and a neutron star spin period of ˜ 20 ms at the end of the simulation, the explosion and remnant properties are slightly atypical, but still lie comfortably within the observed distribution. Although more refined simulations and a larger survey of progenitors are still called for, this suggests that a solution to the problem of shock revival and explosion energies in the ballpark of observations is within reach for neutrino-driven explosions in 3D.

Effects of Containment on Radionuclide Releases from Underground Nuclear Explosions

NASA Astrophysics Data System (ADS)

Carrigan, C. R.; Sun, Y.

2016-12-01

Confirming the occurrence of an underground nuclear explosion can require capturing short-lived noble gas radioisotopes produced by the explosion, sometimes referred to as the "smoking gun" for nuclear explosion detection. It is well known that the radioisotopic distribution resulting from the detonation evolves with time in the explosion cavity. In effect, the explosion cavity or chimney behaves as a chemical reactor. As long as the parent and daughter radionuclides remain in a closed and well-mixed cavity, parameters, such as radioxenon isotopic ratios, can be calculated analytically from a decay-chain network model. When gases from the cavity migrate into the containment regime, consideration of a "leaky reactor" model is more appropriate. We consider several implications of such a leaky reactor model relevant to interpretations of gas samples from the subsurface during an on-site inspection that could potentially be carried out under the Comprehensive Nuclear Test Ban Treaty. Additionally, we have attempted to validate our leaky reactor model against atmospheric observations of radioactive xenon isotopes detected by radionuclide monitoring stations in Japan and Russia following the February 2013 DPRK underground nuclear explosion (Carrigan et al., 2016). While both model uncertainty and observational error are significant, our model of isotopic evolution appears to be in broad agreement with radionuclide observations, and for the first time links atmospheric measurements of radioxenon isotopic ratios to estimates of seismic yield. Carrigan et al., Scientific Reports 6, Article number: 23032 (2016) doi:10.1038/srep23032

Adiabatic Mass Loss Model in Binary Stars

NASA Astrophysics Data System (ADS)

Ge, H. W.

2012-07-01

Rapid mass transfer process in the interacting binary systems is very complicated. It relates to two basic problems in the binary star evolution, i.e., the dynamically unstable Roche-lobe overflow and the common envelope evolution. Both of the problems are very important and difficult to be modeled. In this PhD thesis, we focus on the rapid mass loss process of the donor in interacting binary systems. The application to the criterion of dynamically unstable mass transfer and the common envelope evolution are also included. Our results based on the adiabatic mass loss model could be used to improve the binary evolution theory, the binary population synthetic method, and other related aspects. We build up the adiabatic mass loss model. In this model, two approximations are included. The first one is that the energy generation and heat flow through the stellar interior can be neglected, hence the restructuring is adiabatic. The second one is that he stellar interior remains in hydrostatic equilibrium. We model this response by constructing model sequences, beginning with a donor star filling its Roche lobe at an arbitrary point in its evolution, holding its specific entropy and composition profiles fixed. These approximations are validated by the comparison with the time-dependent binary mass transfer calculations and the polytropic model for low mass zero-age main-sequence stars. In the dynamical time scale mass transfer, the adiabatic response of the donor star drives it to expand beyond its Roche lobe, leading to runaway mass transfer and the formation of a common envelope with its companion star. For donor stars with surface convection zones of any significant depth, this runaway condition is encountered early in mass transfer, if at all; but for main sequence stars with radiative envelopes, it may be encountered after a prolonged phase of thermal time scale mass transfer, so-called delayed dynamical instability. We identify the critical binary mass ratio for the onset of dynamical time scale mass transfer; if the ratio of donor to accretor masses exceeds this critical value, the dynamical time scale mass transfer ensues. The grid of criterion for all stars can be used to be the basic input as the binary population synthetic method, which will be improved absolutely. In common envelope evolution, the dissipation of orbital energy of the binary provides the energy to eject the common envelope; the energy budget for this process essentially consists of the initial orbital energy of the binary and the initial binding energies of the binary components. We emphasize that, because stellar core and envelope contribute mutually to each other's gravitational potential energy, proper evaluation of the total energy of a star requires integration over the entire stellar interior, not the ejected envelope alone as commonly assumed. We show that the change in total energy of the donor star, as a function of its remaining mass along an adiabatic mass-loss sequence, can be calculated. This change in total energy of the donor star, combined with the requirement that both remnant donor and its companion star fit within their respective Roche lobes, then circumscribes energetically possible survivors of common envelope evolution. It is the first time that we can calculate the accurate total energy of the donor star in common envelope evolution, while the results with the old method are inconsistent with observations.

Coulomb explosion of uniformly charged spheroids

NASA Astrophysics Data System (ADS)

Grech, M.; Nuter, R.; Mikaberidze, A.; di Cintio, P.; Gremillet, L.; Lefebvre, E.; Saalmann, U.; Rost, J. M.; Skupin, S.

2011-11-01

A simple, semianalytical model is proposed for nonrelativistic Coulomb explosion of a uniformly charged spheroid. This model allows us to derive the time-dependent particle energy distributions. Simple expressions are also given for the characteristic explosion time and maximum particle energies in the limits of extreme prolate and oblate spheroids as well as for the sphere. Results of particle simulations are found to be in remarkably good agreement with the model.

Influence of Small Change of Porosity on Shock Initiation of an HMX/TATB/Viton Explosive and Ignition and Growth Modeling

NASA Astrophysics Data System (ADS)

Liu, Yan; Hussain, Tariq; Huang, Fenglei; Duan, Zhuoping

2016-07-01

All solid explosives in practical use are more or less porous. Although it is known that the change in porosity affects the shock sensitivity of solid explosives, the effect of small changes in porosity on the sensitivity needs to be determined for safe and efficient use of explosive materials. In this study, the influence of a small change in porosity on shock initiation and the subsequent detonation growth process of a plastic-bonded explosive PBXC03, composed of 87% cyclotetramethylene-tetranitramine (HMX), 7% triaminotrinitrobenzene (TATB), and 6% Viton by weight, are investigated by shock to detonation transition experiments. Two explosive formulations of PBXC03 having the same initial grain sizes pressed to 98 and 99% of theoretical mass density (1.873 g/cm3) respectively are tested using the in situ manganin piezoresistive pressure gauge technique. Numerical modeling of the experiments is performed using an ignition and growth reactive flow model. Reasonable agreement with the experimental results is obtained by increasing the growth term coefficient in the Lee-Tarver ignition and growth model with porosity. Combining the experimental and simulation results shows that the shock sensitivity increases with porosity for PBXC03 having the same explosive initial grain sizes for the pressures (about 3.1 GPa) applied in the experiments.

Multicale modeling of the detonation of aluminized explosives using SPH-MD-QM method

NASA Astrophysics Data System (ADS)

Peng, Qing; Wang, Guangyu; Liu, Gui-Rong; de, Suvranu

Aluminized explosives have been applied in military industry since decades ago. Compared with ideal explosives, aluminized explosives feature both fast detonation and slow metal combustion chemistry, generating a complex multi-phase reactive flow. Here, we introduce a sequential multiscale model of SPH-MD-QM to simulate the detonation behavior of aluminized explosives. At the bottom level, first-principles quantum mechanics (QM) calculations are employed to obtain the training sets for fitting the ReaxFF potentials, which are used in turn in the reactive molecular dynamics (MD) simulations in the middle level to obtain the chemical reaction rates and equations of states. At the up lever, a smooth particle hydrodynamics (SPH) method incorporated ignition and growth model and afterburning model has been used for the simulation of the detonation and combustion of the aluminized explosive. Simulation is compared with experiment and good agreement is observed. The proposed multiscale method of SPH-MD-QM could be used to optimize the performance of aluminized explosives. The authors would like to acknowledge the generous financial support from the Defense Threat Reduction Agency (DTRA) Grant No. HDTRA1-13-1-0025 and the Office of Naval Research Grants ONR Award No. N00014-08-1-0462 and No. N00014-12-1-0527.

The role of atmospheric nuclear explosions on the stagnation of global warming in the mid 20th century

NASA Astrophysics Data System (ADS)

Fujii, Yoshiaki

2011-04-01

This study suggests that the cause of the stagnation in global warming in the mid 20th century was the atmospheric nuclear explosions detonated between 1945 and 1980. The estimated GST drop due to fine dust from the actual atmospheric nuclear explosions based on the published simulation results by other researchers (a single column model and Atmosphere-Ocean General Circulation Model) has served to explain the stagnation in global warming. Atmospheric nuclear explosions can be regarded as full-scale in situ tests for nuclear winter. The non-negligible amount of GST drop from the actual atmospheric explosions suggests that nuclear winter is not just a theory but has actually occurred, albeit on a small scale. The accuracy of the simulations of GST by IPCC would also be improved significantly by introducing the influence of fine dust from the actual atmospheric nuclear explosions into their climate models; thus, global warming behavior could be more accurately predicted.

Theoretical insights into effects of molar ratios on stabilities, mechanical properties and detonation performance of CL-20/RDX cocrystal explosives by molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Hang, Gui-yun; Yu, Wen-li; Wang, Tao; Wang, Jin-tao; Li, Zhen

2017-08-01

The CL-20/RDX cocrystal models with different molar ratios were established by substitution method and molecular dynamics (MD) simulation method was applied to investigate the influences of molar ratios on mechanical properties, stabilities and detonation performance of cocrystal explosives. The crystal parameters, structures, binding energies, mechanical properties and some detonation parameters of different cocrystal explosives were got and compared. The results illustrate that the molar ratio has a direct influence on properties of cocrystal explosive and each of the cocrystal model holds different mechanical properties, binding energies and detonation parameters. The mechanical properties of CL-20/RDX cocrystal explosive can be effectively improved and the cocrystal model with molar ratio in 1:1 has the best mechanical properties. Besides, it has the highest binding energy, so the stability and compatibility is the best. The detonation parameters show that the cocrystal explosive has better detonation performance than RDX. In a word, the cocrystal explosive with molar ratio in 1:1 has the best mechanical properties, highest binding energy and excellent energy density and detonation performance, it is quite promising and can satisfy the requirements of high energy density compounds (HEDC). This paper could offer some theoretical instructions and novel insights for the CL-20 cocrystal explosive designing.

Experimental implementation of local adiabatic evolution algorithms by an NMR quantum information processor.

PubMed

Mitra, Avik; Ghosh, Arindam; Das, Ranabir; Patel, Apoorva; Kumar, Anil

2005-12-01

Quantum adiabatic algorithm is a method of solving computational problems by evolving the ground state of a slowly varying Hamiltonian. The technique uses evolution of the ground state of a slowly varying Hamiltonian to reach the required output state. In some cases, such as the adiabatic versions of Grover's search algorithm and Deutsch-Jozsa algorithm, applying the global adiabatic evolution yields a complexity similar to their classical algorithms. However, using the local adiabatic evolution, the algorithms given by J. Roland and N.J. Cerf for Grover's search [J. Roland, N.J. Cerf, Quantum search by local adiabatic evolution, Phys. Rev. A 65 (2002) 042308] and by Saurya Das, Randy Kobes, and Gabor Kunstatter for the Deutsch-Jozsa algorithm [S. Das, R. Kobes, G. Kunstatter, Adiabatic quantum computation and Deutsh's algorithm, Phys. Rev. A 65 (2002) 062301], yield a complexity of order N (where N=2(n) and n is the number of qubits). In this paper, we report the experimental implementation of these local adiabatic evolution algorithms on a 2-qubit quantum information processor, by Nuclear Magnetic Resonance.

Cumulative effects in inflation with ultra-light entropy modes

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

Achúcarro, Ana; Atal, Vicente; Germani, Cristiano

2017-02-01

In multi-field inflation one or more non-adiabatic modes may become light, potentially inducing large levels of isocurvature perturbations in the cosmic microwave background. If in addition these light modes are coupled to the adiabatic mode, they influence its evolution on super horizon scales. Here we consider the case in which a non-adiabatic mode becomes approximately massless (''ultralight') while still coupled to the adiabatic mode, a typical situation that arises with pseudo-Nambu-Goldstone bosons or moduli. This ultralight mode freezes on super-horizon scales and acts as a constant source for the curvature perturbation, making it grow linearly in time and effectively suppressingmore » the isocurvature component. We identify a Stückelberg-like emergent shift symmetry that underlies this behavior. As inflation lasts for many e -folds, the integrated effect of this source enhances the power spectrum of the adiabatic mode, while keeping the non-adiabatic spectrum approximately untouched. In this case, towards the end of inflation all the fluctuations, adiabatic and non-adiabatic, are dominated by a single degree of freedom.« less

Cumulative effects in inflation with ultra-light entropy modes

NASA Astrophysics Data System (ADS)

Achúcarro, Ana; Atal, Vicente; Germani, Cristiano; Palma, Gonzalo A.

2017-02-01

In multi-field inflation one or more non-adiabatic modes may become light, potentially inducing large levels of isocurvature perturbations in the cosmic microwave background. If in addition these light modes are coupled to the adiabatic mode, they influence its evolution on super horizon scales. Here we consider the case in which a non-adiabatic mode becomes approximately massless (``ultralight") while still coupled to the adiabatic mode, a typical situation that arises with pseudo-Nambu-Goldstone bosons or moduli. This ultralight mode freezes on super-horizon scales and acts as a constant source for the curvature perturbation, making it grow linearly in time and effectively suppressing the isocurvature component. We identify a Stückelberg-like emergent shift symmetry that underlies this behavior. As inflation lasts for many e-folds, the integrated effect of this source enhances the power spectrum of the adiabatic mode, while keeping the non-adiabatic spectrum approximately untouched. In this case, towards the end of inflation all the fluctuations, adiabatic and non-adiabatic, are dominated by a single degree of freedom.

Advancing Explosion Source Theory through Experimentation: Results from Seismic Experiments Since the Moratorium on Nuclear Testing

NASA Astrophysics Data System (ADS)

Bonner, J. L.; Stump, B. W.

2011-12-01

On 23 September 1992, the United States conducted the nuclear explosion DIVIDER at the Nevada Test Site (NTS). It would become the last US nuclear test when a moratorium ended testing the following month. Many of the theoretical explosion seismic models used today were developed from observations of hundreds of nuclear tests at NTS and around the world. Since the moratorium, researchers have turned to chemical explosions as a possible surrogate for continued nuclear explosion research. This talk reviews experiments since the moratorium that have used chemical explosions to advance explosion source models. The 1993 Non-Proliferation Experiment examined single-point, fully contained chemical-nuclear equivalence by detonating over a kiloton of chemical explosive at NTS in close proximity to previous nuclear explosion tests. When compared with data from these nearby nuclear explosions, the regional and near-source seismic data were found to be essentially identical after accounting for different yield scaling factors for chemical and nuclear explosions. The relationship between contained chemical explosions and large production mining shots was studied at the Black Thunder coal mine in Wyoming in 1995. The research led to an improved source model for delay-fired mining explosions and a better understanding of mining explosion detection by the International Monitoring System (IMS). The effect of depth was examined in a 1997 Kazakhstan Depth of Burial experiment. Researchers used local and regional seismic observations to conclude that the dominant mechanism for enhanced regional shear waves was local Rg scattering. Travel-time calibration for the IMS was the focus of the 1999 Dead Sea Experiment where a 10-ton shot was recorded as far away as 5000 km. The Arizona Source Phenomenology Experiments provided a comparison of fully- and partially-contained chemical shots with mining explosions, thus quantifying the reduction in seismic amplitudes associated with partial confinement. The Frozen Rock Experiment in 2006 found only minor differences in seismic coupling for explosions in frozen and unfrozen rock. The seismo-acoustic source function was the focus of the above- and below-ground Humble Redwood explosions (2007, 2009 ) in New Mexico and detonations of rocket motor explosions in Utah. Acoustic travel time calibration for the IMS was accomplished with the 2009 and 2011 100-ton surface explosions in southern Israel. The New England Damage Experiment in 2009 correlated increased shear wave generation with increased rock damage from explosions. Damage from explosions continues to be an important research topic at Nevada's National Center for Nuclear Security with the ongoing Source Physics Experiment. A number of exciting experiments are already planned for the future and thus continue the effort to improve global detection, location, and identification of nuclear explosions.

Plasma parameters of the cathode spot explosive electron emission cell obtained from the model of liquid-metal jet tearing and electrical explosion

NASA Astrophysics Data System (ADS)

Tsventoukh, M. M.

2018-05-01

A model has been developed for the explosive electron emission cell pulse of a vacuum discharge cathode spot that describes the ignition and extinction of the explosive pulse. The pulse is initiated due to hydrodynamic tearing of a liquid-metal jet which propagates from the preceding cell crater boundary and draws the ion current from the plasma produced by the preceding explosion. Once the jet neck has been resistively heated to a critical temperature (˜1 eV), the plasma starts expanding and decreasing in density, which corresponds to the extinction phase. Numerical and analytical solutions have been obtained that describe both the time behavior of the pulse plasma parameters and their average values. For the cell plasma, the momentum per transferred charge has been estimated to be some tens of g cm/(s C), which is consistent with the known measurements of ion velocity, ion erosion rate, and specific recoil force. This supports the model of the pressure-gradient-driven plasma acceleration mechanism for the explosive cathode spot cells. The ohmic electric field within the explosive current-carrying plasma has been estimated to be some tens of kV/cm, which is consistent with the known experimental data on cathode potential fall and explosive cell plasma size. This supports the model that assumes the ohmic nature of the cathode potential fall in a vacuum discharge.

Error suppression for Hamiltonian quantum computing in Markovian environments

NASA Astrophysics Data System (ADS)

Marvian, Milad; Lidar, Daniel A.

2017-03-01

Hamiltonian quantum computing, such as the adiabatic and holonomic models, can be protected against decoherence using an encoding into stabilizer subspace codes for error detection and the addition of energy penalty terms. This method has been widely studied since it was first introduced by Jordan, Farhi, and Shor (JFS) in the context of adiabatic quantum computing. Here, we extend the original result to general Markovian environments, not necessarily in Lindblad form. We show that the main conclusion of the original JFS study holds under these general circumstances: Assuming a physically reasonable bath model, it is possible to suppress the initial decay out of the encoded ground state with an energy penalty strength that grows only logarithmically in the system size, at a fixed temperature.

Adiabatic Quantum Computing via the Rydberg Blockade

NASA Astrophysics Data System (ADS)

Keating, Tyler; Goyal, Krittika; Deutsch, Ivan

2012-06-01

We study an architecture for implementing adiabatic quantum computation with trapped neutral atoms. Ground state atoms are dressed by laser fields in a manner conditional on the Rydberg blockade mechanism, thereby providing the requisite entangling interactions. As a benchmark we study the performance of a Quadratic Unconstrained Binary Optimization (QUBO) problem whose solution is found in the ground state spin configuration of an Ising-like model. We model a realistic architecture, including the effects of magnetic level structure, with qubits encoded into the clock states of ^133Cs, effective B-fields implemented through microwaves and light shifts, and atom-atom coupling achieved by excitation to a high-lying Rydberg level. Including the fundamental effects of photon scattering we find a high fidelity for the two-qubit implementation.

Understanding dynamics of Martian winter polar vortex with “improved” moist-convective shallow water model

NASA Astrophysics Data System (ADS)

Rostami, M.; Zeitlin, V.

2017-12-01

We show how the properties of the Mars polar vortex can be understood in the framework of a simple shallow-water type model obtained by vertical averaging of the adiabatic “primitive” equations, and “improved” by inclusion of thermal relaxation and convective fluxes due to the phase transitions of CO 2, the major constituent of the Martian atmosphere. We perform stability analysis of the vortex, show that corresponding mean zonal flow is unstable, and simulate numerically non-linear saturation of the instability. We show in this way that, while non-linear adiabatic saturation of the instability tends to reorganize the vortex, the diabatic effects prevent this, and thus provide an explanation of the vortex form and longevity.

Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study

NASA Astrophysics Data System (ADS)

Gharabaghi, Masumeh; Shahbazian, Shant

2017-04-01

The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not include nuclear vibrations in the AIM analysis. On the other hand, the recently extended version of the QTAIM, called the multi-component QTAIM (MC-QTAIM), incorporates both electrons and quantum nuclei, i.e., those nuclei treated as quantum waves instead of clamped point charges, into the AIM analysis using non-adiabatic wavefunctions. Thus, the MC-QTAIM is the natural framework to incorporate the role of nuclear vibrations into the AIM analysis. In this study, within the context of the MC-QTAIM, the formalism of including nuclear vibrational energy in the atomic basin energy is developed in detail and its contribution is derived analytically using the recently proposed non-adiabatic Hartree product nuclear wavefunction. It is demonstrated that within the context of this wavefunction, the quantum nuclei may be conceived pseudo-adiabatically as quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.

Electronic energy transfer through non-adiabatic vibrational-electronic resonance. I. Theory for a dimer

NASA Astrophysics Data System (ADS)

Tiwari, Vivek; Peters, William K.; Jonas, David M.

2017-10-01

Non-adiabatic vibrational-electronic resonance in the excited electronic states of natural photosynthetic antennas drastically alters the adiabatic framework, in which electronic energy transfer has been conventionally studied, and suggests the possibility of exploiting non-adiabatic dynamics for directed energy transfer. Here, a generalized dimer model incorporates asymmetries between pigments, coupling to the environment, and the doubly excited state relevant for nonlinear spectroscopy. For this generalized dimer model, the vibrational tuning vector that drives energy transfer is derived and connected to decoherence between singly excited states. A correlation vector is connected to decoherence between the ground state and the doubly excited state. Optical decoherence between the ground and singly excited states involves linear combinations of the correlation and tuning vectors. Excitonic coupling modifies the tuning vector. The correlation and tuning vectors are not always orthogonal, and both can be asymmetric under pigment exchange, which affects energy transfer. For equal pigment vibrational frequencies, the nonadiabatic tuning vector becomes an anti-correlated delocalized linear combination of intramolecular vibrations of the two pigments, and the nonadiabatic energy transfer dynamics become separable. With exchange symmetry, the correlation and tuning vectors become delocalized intramolecular vibrations that are symmetric and antisymmetric under pigment exchange. Diabatic criteria for vibrational-excitonic resonance demonstrate that anti-correlated vibrations increase the range and speed of vibronically resonant energy transfer (the Golden Rule rate is a factor of 2 faster). A partial trace analysis shows that vibronic decoherence for a vibrational-excitonic resonance between two excitons is slower than their purely excitonic decoherence.

Electronic energy transfer through non-adiabatic vibrational-electronic resonance. I. Theory for a dimer.

PubMed

Tiwari, Vivek; Peters, William K; Jonas, David M

2017-10-21

Non-adiabatic vibrational-electronic resonance in the excited electronic states of natural photosynthetic antennas drastically alters the adiabatic framework, in which electronic energy transfer has been conventionally studied, and suggests the possibility of exploiting non-adiabatic dynamics for directed energy transfer. Here, a generalized dimer model incorporates asymmetries between pigments, coupling to the environment, and the doubly excited state relevant for nonlinear spectroscopy. For this generalized dimer model, the vibrational tuning vector that drives energy transfer is derived and connected to decoherence between singly excited states. A correlation vector is connected to decoherence between the ground state and the doubly excited state. Optical decoherence between the ground and singly excited states involves linear combinations of the correlation and tuning vectors. Excitonic coupling modifies the tuning vector. The correlation and tuning vectors are not always orthogonal, and both can be asymmetric under pigment exchange, which affects energy transfer. For equal pigment vibrational frequencies, the nonadiabatic tuning vector becomes an anti-correlated delocalized linear combination of intramolecular vibrations of the two pigments, and the nonadiabatic energy transfer dynamics become separable. With exchange symmetry, the correlation and tuning vectors become delocalized intramolecular vibrations that are symmetric and antisymmetric under pigment exchange. Diabatic criteria for vibrational-excitonic resonance demonstrate that anti-correlated vibrations increase the range and speed of vibronically resonant energy transfer (the Golden Rule rate is a factor of 2 faster). A partial trace analysis shows that vibronic decoherence for a vibrational-excitonic resonance between two excitons is slower than their purely excitonic decoherence.

Theoretical quantification of shock-timing sensitivities for direct-drive inertial confinement fusion implosions on OMEGA

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

Cao, D.; Boehly, T. R.; Gregor, M. C.

Using temporally shaped laser pulses, multiple shocks can be launched in direct-drive inertial confinement fusion implosion experiments to set the shell on a desired isentrope or adiabat. The velocity of the first shock and the times at which subsequent shocks catch up to it are measured through the VISAR diagnostic [T. R. Boehly et al., Phys. Plasmas 18, 092706 (2011)] on OMEGA [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)]. Simulations reproduce these velocity and shock-merger time measurements when using laser pulses designed for setting mid-adiabat (alpha ~ 3) implosions, but agreement degrades for lower-adiabat (alpha ~ 1)more » designs. Several possibilities for this difference are studied: (1) errors in placing the target at the center of irradiation (target offset), (2) variations in energy between the different incident beams (power imbalance), and (3) errors in modeling the laser energy coupled into the capsule. Simulation results indicate that shock timing is most sensitive to details of the density and temperature profiles in the coronal plasma, which influences the laser energy coupled into the target, and only marginally sensitive to target offset and beam power imbalance. A new technique under development to infer coronal profiles using x-ray self-emission imaging [A. K. Davis et al., Bull. Am. Phys. Soc. 61, BAPS.2016.DPP.NO8.7 (2016)] can be applied to the pulse shapes used in shock-timing experiments. This will help identify improved physics models to implement in codes and consequently enhance shock-timing predictive capability for low-adiabat pulses.« less

INTRODUCING CAFein, A NEW COMPUTATIONAL TOOL FOR STELLAR PULSATIONS AND DYNAMIC TIDES

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

Valsecchi, F.; Farr, W. M.; Willems, B.

2013-08-10

Here we present CAFein, a new computational tool for investigating radiative dissipation of dynamic tides in close binaries and of non-adiabatic, non-radial stellar oscillations in isolated stars in the linear regime. For the latter, CAFein computes the non-adiabatic eigenfrequencies and eigenfunctions of detailed stellar models. The code is based on the so-called Riccati method, a numerical algorithm that has been successfully applied to a variety of stellar pulsators, and which does not suffer from the major drawbacks of commonly used shooting and relaxation schemes. Here we present an extension of the Riccati method to investigate dynamic tides in close binaries.more » We demonstrate CAFein's capabilities as a stellar pulsation code both in the adiabatic and non-adiabatic regimes, by reproducing previously published eigenfrequencies of a polytrope, and by successfully identifying the unstable modes of a stellar model in the {beta} Cephei/SPB region of the Hertzsprung-Russell diagram. Finally, we verify CAFein's behavior in the dynamic tides regime by investigating the effects of dynamic tides on the eigenfunctions and orbital and spin evolution of massive main sequence stars in eccentric binaries, and of hot Jupiter host stars. The plethora of asteroseismic data provided by NASA's Kepler satellite, some of which include the direct detection of tidally excited stellar oscillations, make CAFein quite timely. Furthermore, the increasing number of observed short-period detached double white dwarfs (WDs) and the observed orbital decay in the tightest of such binaries open up a new possibility of investigating WD interiors through the effects of tides on their orbital evolution.« less

Non-adiabatic dynamics around a conical intersection with surface-hopping coupled coherent states

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

Humeniuk, Alexander; Mitrić, Roland, E-mail: roland.mitric@uni-wuerzburg.de

A surface-hopping extension of the coupled coherent states-method [D. Shalashilin and M. Child, Chem. Phys. 304, 103-120 (2004)] for simulating non-adiabatic dynamics with quantum effects of the nuclei is put forward. The time-dependent Schrödinger equation for the motion of the nuclei is solved in a moving basis set. The basis set is guided by classical trajectories, which can hop stochastically between different electronic potential energy surfaces. The non-adiabatic transitions are modelled by a modified version of Tully’s fewest switches algorithm. The trajectories consist of Gaussians in the phase space of the nuclei (coherent states) combined with amplitudes for an electronicmore » wave function. The time-dependent matrix elements between different coherent states determine the amplitude of each trajectory in the total multistate wave function; the diagonal matrix elements determine the hopping probabilities and gradients. In this way, both interference effects and non-adiabatic transitions can be described in a very compact fashion, leading to the exact solution if convergence with respect to the number of trajectories is achieved and the potential energy surfaces are known globally. The method is tested on a 2D model for a conical intersection [A. Ferretti, J. Chem. Phys. 104, 5517 (1996)], where a nuclear wavepacket encircles the point of degeneracy between two potential energy surfaces and interferes with itself. These interference effects are absent in classical trajectory-based molecular dynamics but can be fully incorpo rated if trajectories are replaced by surface hopping coupled coherent states.« less

Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study.

PubMed

Gharabaghi, Masumeh; Shahbazian, Shant

2017-04-21

The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not include nuclear vibrations in the AIM analysis. On the other hand, the recently extended version of the QTAIM, called the multi-component QTAIM (MC-QTAIM), incorporates both electrons and quantum nuclei, i.e., those nuclei treated as quantum waves instead of clamped point charges, into the AIM analysis using non-adiabatic wavefunctions. Thus, the MC-QTAIM is the natural framework to incorporate the role of nuclear vibrations into the AIM analysis. In this study, within the context of the MC-QTAIM, the formalism of including nuclear vibrational energy in the atomic basin energy is developed in detail and its contribution is derived analytically using the recently proposed non-adiabatic Hartree product nuclear wavefunction. It is demonstrated that within the context of this wavefunction, the quantum nuclei may be conceived pseudo-adiabatically as quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.

Time-resolved photoelectron spectroscopy of IR-driven electron dynamics in a charge transfer model system.

PubMed

Falge, Mirjam; Fröbel, Friedrich Georg; Engel, Volker; Gräfe, Stefanie

2017-08-02

If the adiabatic approximation is valid, electrons smoothly adapt to molecular geometry changes. In contrast, as a characteristic of diabatic dynamics, the electron density does not follow the nuclear motion. Recently, we have shown that the asymmetry in time-resolved photoelectron spectra serves as a tool to distinguish between these dynamics [Falge et al., J. Phys. Chem. Lett., 2012, 3, 2617]. Here, we investigate the influence of an additional, moderately intense infrared (IR) laser field, as often applied in attosecond time-resolved experiments, on such asymmetries. This is done using a simple model for coupled electronic-nuclear motion. We calculate time-resolved photoelectron spectra and their asymmetries and demonstrate that the spectra directly map the bound electron-nuclear dynamics. From the asymmetries, we can trace the IR field-induced population transfer and both the field-driven and intrinsic (non-)adiabatic dynamics. This holds true when considering superposition states accompanied by electronic coherences. The latter are observable in the asymmetries for sufficiently short XUV pulses to coherently probe the coupled states. It is thus documented that the asymmetry is a measure for phases in bound electron wave packets and non-adiabatic dynamics.

Universal Adiabatic Quantum Computing using Double Quantum Dot Charge Qubits

NASA Astrophysics Data System (ADS)

Ryan-Anderson, Ciaran; Jacobson, N. Tobias; Landahl, Andrew

Adiabatic quantum computation (AQC) provides one path to achieving universal quantum computing in experiment. Computation in the AQC model occurs by starting with an easy to prepare groundstate of some simple Hamiltonian and then adiabatically evolving the Hamiltonian to obtain the groundstate of a final, more complex Hamiltonian. It has been shown that the circuit model can be mapped to AQC Hamiltonians and, thus, AQC can be made universal. Further, these Hamiltonians can be made planar and two-local. We propose using double quantum dot charge qubits (DQDs) to implement such universal AQC Hamiltonians. However, the geometry and restricted set of interactions of DQDs make the application of even these 2-local planar Hamiltonians non-trivial. We present a construction tailored to DQDs to overcome the geometric and interaction contraints and allow for universal AQC. These constraints are dealt with in this construction by making use of perturbation gadgets, which introduce ancillary qubits to mediate interactions. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Effect of local minima on adiabatic quantum optimization.

PubMed

Amin, M H S

2008-04-04

We present a perturbative method to estimate the spectral gap for adiabatic quantum optimization, based on the structure of the energy levels in the problem Hamiltonian. We show that, for problems that have an exponentially large number of local minima close to the global minimum, the gap becomes exponentially small making the computation time exponentially long. The quantum advantage of adiabatic quantum computation may then be accessed only via the local adiabatic evolution, which requires phase coherence throughout the evolution and knowledge of the spectrum. Such problems, therefore, are not suitable for adiabatic quantum computation.

An equation of state for high pressure-temperature liquids (RTpress) with application to MgSiO3 melt

NASA Astrophysics Data System (ADS)

Wolf, Aaron S.; Bower, Dan J.

2018-05-01

The thermophysical properties of molten silicates at extreme conditions are crucial for understanding the early evolution of Earth and other massive rocky planets, which is marked by giant impacts capable of producing deep magma oceans. Cooling and crystallization of molten mantles are sensitive to the densities and adiabatic profiles of high-pressure molten silicates, demanding accurate Equation of State (EOS) models to predict the early evolution of planetary interiors. Unfortunately, EOS modeling for liquids at high P-T conditions is difficult due to constantly evolving liquid structure. The Rosenfeld-Tarazona (RT) model provides a physically sensible and accurate description of liquids but is limited to constant volume heating paths (Rosenfeld and Tarazona, 1998). We develop a high P-T EOS for liquids, called RTpress, which uses a generalized Rosenfeld-Tarazona model as a thermal perturbation to isothermal and adiabatic reference compression curves. This approach provides a thermodynamically consistent EOS which remains accurate over a large P-T range and depends on a limited number of physically meaningful parameters that can be determined empirically from either simulated or experimental datasets. As a first application, we model MgSiO3 melt representing a simplified rocky mantle chemistry. The model parameters are fitted to the MD simulations of both Spera et al. (2011) and de Koker and Stixrude (2009), recovering pressures, volumes, and internal energies to within 0.6 GPa, 0.1 Å3 , and 6 meV per atom on average (for the higher resolution data set), as well as accurately predicting liquid densities and temperatures from shock-wave experiments on MgSiO3 glass. The fitted EOS is used to determine adiabatic thermal profiles, revealing the approximate thermal structure of a fully molten magma ocean like that of the early Earth. These adiabats, which are in strong agreement for both fitted models, are shown to be sufficiently steep to produce either a center-outwards or bottom-up style of crystallization, depending on the curvature of the mantle melting curve (liquidus), with a high-curvature model yielding crystallization at depths of roughly 80 GPa (Stixrude et al., 2009) whereas a nearly-flat experimentally determined liquidus implies bottom-up crystallization (Andrault et al., 2011).

Regional Seismic Amplitude Modeling and Tomography for Earthquake-Explosion Discrimination

DTIC Science & Technology

2008-09-01

explosions from earthquakes, using closely located pairs of earthquakes and explosions recorded on common, publicly available stations at test sites ...Battone et al., 2002). For example, in Figure 1 we compare an earthquake and an explosion at each of four major test sites (rows), bandpass filtered...explosions as the frequency increases. Note also there are interesting differences between the test sites , indicating that emplacement conditions (depth

Toward an Empirically-Based Parametric Explosion Spectral Model

DTIC Science & Technology

2010-09-01

estimated (Richards and Kim, 2009). This archive could potentially provide 200 recordings of explosions at Semipalatinsk Test Site of the former Soviet...estimates of explosion yield, and prior work at the Nevada Test Site (NTS) (e.g., Walter et al., 1995) has found that explosions in weak materials have...2007). Corner frequency scaling of regional seismic phases for underground nuclear explosions at the Nevada Test Site , Bull. Seismol. Soc. Am. 97

Nucleosynthesis in Primordial Hypernovae

NASA Astrophysics Data System (ADS)

Grimmett, J. J.; Heger, Alexander; Karakas, Amanda I.; Müller, Bernhard

2018-06-01

We investigate the relationship between explosion energy and nucleosynthesis in Population III supernovae and provide nucleosynthetic results for the explosions of stars with progenitor masses of 15 M⊙, 20 M⊙, 30 M⊙, 40 M⊙, 60 M⊙, and 80 M⊙, and explosion energies between approximately 1050 erg and 1053 erg. We find that the typical abundance pattern observed in metal-poor stars are best matched by supernovae with progenitor mass in the range 15 M⊙ - 30 M⊙, and explosion energy of ˜(5 - 10) × 1051 erg. In these models, a reverse shock caused by jumps in density between shells of different composition serves to decrease synthesis of chromium and manganese, which is favourable to matching the observed abundances in metal-poor stars. Spherically symmetric explosions of our models with progenitor mass ≥40 M⊙ do not provide yields that are compatible with the iron-peak abundances that are typically observed in metal-poor stars, however, by approximating the yields that we might expect from these models in highly aspherical explosions, we find indications that explosions of stars 40 M⊙ - 80 M⊙ with bipolar jets may be good candidates for the enrichment sources of metal-poor stars with enhanced carbon abundances.

Nucleosynthesis in Thermonuclear Supernovae

NASA Astrophysics Data System (ADS)

Seitenzahl, Ivo Rolf; Townsley, Dean M.

The explosion energy of thermonuclear (type Ia) supernovae is derived from the difference in nuclear binding energy liberated in the explosive fusion of light "fuel" nuclei, predominantly carbon and oxygen, into more tightly bound nuclear "ash" dominated by iron and silicon group elements. The very same explosive thermonuclear fusion event is also one of the major processes contributing to the nucleosynthesis of the heavy elements, in particular the iron-group elements. For example, most of the iron and manganese in the sun and its planetary system were produced in thermonuclear supernovae. Here, we review the physics of explosive thermonuclear burning in carbon-oxygen white dwarf material and the methodologies utilized in calculating predicted nucleosynthesis from hydrodynamic explosion models. While the dominant explosion scenario remains unclear, many aspects of the nuclear combustion and nucleosynthesis are common to all models and must occur in some form in order to produce the observed yields. We summarize the predicted nucleosynthetic yields for existing explosion models, placing particular emphasis on characteristic differences in the nucleosynthetic signatures of the different suggested scenarios leading to type Ia supernovae. Following this, we discuss how these signatures compare with observations of several individual supernovae, remnants, and the composition of material in our galaxy and galaxy clusters.

Explosive particle soil surface dispersion model for detonated military munitions.

PubMed

Hathaway, John E; Rishel, Jeremy P; Walsh, Marianne E; Walsh, Michael R; Taylor, Susan

2015-07-01

The accumulation of high explosive mass residue from the detonation of military munitions on training ranges is of environmental concern because of its potential to contaminate the soil, surface water, and groundwater. The US Department of Defense wants to quantify, understand, and remediate high explosive mass residue loadings that might be observed on active firing ranges. Previously, efforts using various sampling methods and techniques have resulted in limited success, due in part to the complicated dispersion pattern of the explosive particle residues upon detonation. In our efforts to simulate particle dispersal for high- and low-order explosions on hypothetical firing ranges, we use experimental particle data from detonations of munitions from a 155-mm howitzer, which are common military munitions. The mass loadings resulting from these simulations provide a previously unattained level of detail to quantify the explosive residue source-term for use in soil and water transport models. In addition, the resulting particle placements can be used to test, validate, and optimize particle sampling methods and statistical models as applied to firing ranges. Although the presented results are for a hypothetical 155-mm howitzer firing range, the method can be used for other munition types once the explosive particle characteristics are known.

A Physical Basis for M s-Yield Scaling in Hard Rock and Implications for Late-Time Damage of the Source Medium

DOE PAGES

Patton, Howard John

2016-04-11

Surface wave magnitude M s for a compilation of 72 nuclear tests detonated in hard rock media for which yields and burial depths have been reported in the literature is shown to scale with yield W as a + b × log[W], where a = 2.50 ± 0.08 and b = 0.80 ± 0.05. While the exponent b is consistent with an M s scaling model for fully coupled, normal containment-depth explosions, the intercept a is offset 0.45 magnitude units lower than the model. The cause of offset is important to understand in terms of the explosion source. Hard rockmore » explosions conducted in extensional and compressional stress regimes show similar offsets, an indication that the tectonic setting in which an explosion occurs plays no role causing the offset. The scaling model accounts for the effects of source medium material properties on the generation of 20-s period Rayleigh wave amplitudes. Aided by thorough characterizations of the explosion and tectonic release sources, an extensive analysis of the 1963 October 26 Shoal nuclear test detonated in granite 27 miles southeast of Fallon NV shows that the offset is consistent with the predictions of a material damage source model related to non-linear stress wave interactions with the free surface. This source emits Rayleigh waves with polarity opposite to waves emitted by the explosion. The Shoal results were extended to analyse surface waves from the 1962 February 15 Hardhat nuclear test, the 1988 September 14 Soviet Joint Verification Experiment, and the anomalous 1979 August 18 northeast Balapan explosion which exhibits opposite polarity, azimuth-independent source component U1 compared to an explosion. Modelling these tests shows that Rayleigh wave amplitudes generated by the damage source are nearly as large as or larger than amplitudes from the explosion. As such, destructive interference can be drastic, introducing metastable conditions due to the sensitivity of reduced amplitudes to Rayleigh wave initial phase angles of the explosion and damage sources. This meta-stability is a likely source of scatter in M s-yield scaling observations. The agreement of observed scaling exponent b with the model suggests that the damage source strength does not vary much with yield, in contrast to explosions conducted in weak media where Ms scaling rates are greater than the model predicts, and the yield dependence of the damage source strength is significant. This difference in scaling behaviour is a consequence of source medium material properties.« less

A Physical Basis for M s-Yield Scaling in Hard Rock and Implications for Late-Time Damage of the Source Medium

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

Patton, Howard John

Surface wave magnitude M s for a compilation of 72 nuclear tests detonated in hard rock media for which yields and burial depths have been reported in the literature is shown to scale with yield W as a + b × log[W], where a = 2.50 ± 0.08 and b = 0.80 ± 0.05. While the exponent b is consistent with an M s scaling model for fully coupled, normal containment-depth explosions, the intercept a is offset 0.45 magnitude units lower than the model. The cause of offset is important to understand in terms of the explosion source. Hard rockmore » explosions conducted in extensional and compressional stress regimes show similar offsets, an indication that the tectonic setting in which an explosion occurs plays no role causing the offset. The scaling model accounts for the effects of source medium material properties on the generation of 20-s period Rayleigh wave amplitudes. Aided by thorough characterizations of the explosion and tectonic release sources, an extensive analysis of the 1963 October 26 Shoal nuclear test detonated in granite 27 miles southeast of Fallon NV shows that the offset is consistent with the predictions of a material damage source model related to non-linear stress wave interactions with the free surface. This source emits Rayleigh waves with polarity opposite to waves emitted by the explosion. The Shoal results were extended to analyse surface waves from the 1962 February 15 Hardhat nuclear test, the 1988 September 14 Soviet Joint Verification Experiment, and the anomalous 1979 August 18 northeast Balapan explosion which exhibits opposite polarity, azimuth-independent source component U1 compared to an explosion. Modelling these tests shows that Rayleigh wave amplitudes generated by the damage source are nearly as large as or larger than amplitudes from the explosion. As such, destructive interference can be drastic, introducing metastable conditions due to the sensitivity of reduced amplitudes to Rayleigh wave initial phase angles of the explosion and damage sources. This meta-stability is a likely source of scatter in M s-yield scaling observations. The agreement of observed scaling exponent b with the model suggests that the damage source strength does not vary much with yield, in contrast to explosions conducted in weak media where Ms scaling rates are greater than the model predicts, and the yield dependence of the damage source strength is significant. This difference in scaling behaviour is a consequence of source medium material properties.« less

Thermodynamic Model of Afterburning in Explosions

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

Kuhl, A L; Howard, M; Fried, L

2003-04-23

Thermodynamic states encountered during afterburning of explosion products gases in air were analyzed with the Cheetah code. Results are displayed in the form of Le Chatelier diagrams: the locus of states of specific internal energy versus temperature, for six different condensed explosives charges. Accuracy of the results was confirmed by comparing the fuel and products curves with the heats of detonation and combustion, and species composition as measured in bomb calorimeter experiments. Results were fit with analytic functions u = f ( T ) suitable for specifying the thermodynamic properties required for gas-dynamic models of afterburning in explosions.

Detection of residues from explosive manipulation by near infrared hyperspectral imaging: a promising forensic tool.

PubMed

Fernández de la Ossa, Mª Ángeles; Amigo, José Manuel; García-Ruiz, Carmen

2014-09-01

In this study near infrared hyperspectral imaging (NIR-HSI) is used to provide a fast, non-contact, non-invasive and non-destructive method for the analysis of explosive residues on human handprints. Volunteers manipulated individually each of these explosives and after deposited their handprints on plastic sheets. For this purpose, classical explosives, potentially used as part of improvised explosive devices (IEDs) as ammonium nitrate, blackpowder, single- and double-base smokeless gunpowders and dynamite were studied. A partial-least squares discriminant analysis (PLS-DA) model was built to detect and classify the presence of explosive residues in handprints. High levels of sensitivity and specificity for the PLS-DA classification model created to identify ammonium nitrate, blackpowder, single- and double-base smokeless gunpowders and dynamite residues were obtained, allowing the development of a preliminary library and facilitating the direct and in situ detection of explosives by NIR-HSI. Consequently, this technique is showed as a promising forensic tool for the detection of explosive residues and other related samples. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Toward Improved Fidelity of Thermal Explosion Simulations

NASA Astrophysics Data System (ADS)

Nichols, A. L.; Becker, R.; Howard, W. M.; Wemhoff, A.

2009-12-01

We will present results of an effort to improve the thermal/chemical/mechanical modeling of HMX based explosives like LX04 and LX10 for thermal cook-off The original HMX model and analysis scheme were developed by Yoh et al. for use in the ALE3D modeling framework. The current results were built to remedy the deficiencies of that original model. We concentrated our efforts in four areas. The first area was addition of porosity to the chemical material model framework in ALE3D that is used to model the HMX explosive formulation. This is needed to handle the roughly 2% porosity in solid explosives. The second area was the improvement of the HMX reaction network, which included a reactive phase change model base on work by Henson et al. The third area required adding early decomposition gas species to the CHEETAH material database to develop more accurate equations of state for gaseous intermediates and products. Finally, it was necessary to improve the implicit mechanics module in ALE3D to more naturally handle the long time scales associated with thermal cook-off The application of the resulting framework to the analysis of the Scaled Thermal Explosion (STEX) experiments will be discussed.

Delta 2 Explosion Plume Analysis Report

NASA Technical Reports Server (NTRS)

Evans, Randolph J.

2000-01-01

A Delta II rocket exploded seconds after liftoff from Cape Canaveral Air Force Station (CCAFS) on 17 January 1997. The cloud produced by the explosion provided an opportunity to evaluate the models which are used to track potentially toxic dispersing plumes and clouds at CCAFS. The primary goal of this project was to conduct a case study of the dispersing cloud and the models used to predict the dispersion resulting from the explosion. The case study was conducted by comparing mesoscale and dispersion model results with available meteorological and plume observations. This study was funded by KSC under Applied Meteorology Unit (AMU) option hours. The models used in the study are part of the Eastern Range Dispersion Assessment System (ERDAS) and include the Regional Atmospheric Modeling System (RAMS), HYbrid Particle And Concentration Transport (HYPACT), and Rocket Exhaust Effluent Dispersion Model (REEDM). The primary observations used for explosion cloud verification of the study were from the National Weather Service's Weather Surveillance Radar 1988-Doppler (WSR-88D). Radar reflectivity measurements of the resulting cloud provided good estimates of the location and dimensions of the cloud over a four-hour period after the explosion. The results indicated that RAMS and HYPACT models performed reasonably well. Future upgrades to ERDAS are recommended.

The Synthesis of 44Ti and 56Ni in Massive Stars

NASA Astrophysics Data System (ADS)

Chieffi, Alessandro; Limongi, Marco

2017-02-01

We discuss the influence of rotation on the combined synthesis of {}44{Ti} and {}56{Ni} in massive stars. While {}56{Ni} is significantly produced by both complete and incomplete explosive Si burning, {}44{Ti} is mainly produced by complete explosive Si burning, with a minor contribution (in standard non-rotating models) from incomplete explosive Si burning and O burning (both explosive and hydrostatic). We find that, in most cases, the thickness of the region exposed to incomplete explosive Si burning increases in rotating models (initial velocity, v ini = 300 km s-1) and since {}56{Ni} is significantly produced in this zone, the fraction of mass coming from the complete explosive Si burning zone necessary to get the required amount of {}56{Ni} reduces. Therefore the amount of {}44{Ti} ejected for a given fixed amount of {}56{Ni} decreases in rotating models. However, some rotating models at [Fe/H] = -1 develop a very extended O convective shell in which a consistent amount of {}44{Ti} is formed, preserved, and ejected in the interstellar medium. Hence a better modeling of the thermal instabilities (convection) in the advanced burning phases together with a critical analysis of the cross sections of the nuclear reactions operating in O burning are relevant for the understanding of the synthesis of {}44{Ti}.

Analysis of Xrage and Flag High Explosive Burn Models with PBX 9404 Cylinder Tests

NASA Astrophysics Data System (ADS)

Harrier, Danielle; Fessenden, Julianna; Ramsey, Scott

2016-11-01

High explosives are energetic materials that release their chemical energy in a short interval of time. They are able to generate extreme heat and pressure by a shock driven chemical decomposition reaction, which makes them valuable tools that must be understood. This study investigated the accuracy and performance of two Los Alamos National Laboratory hydrodynamic codes, which are used to determine the behavior of explosives within a variety of systems: xRAGE which utilizes an Eulerian mesh, and FLAG with utilizes a Lagrangian mesh. Various programmed and reactive burn models within both codes were tested, using a copper cylinder expansion test. The test was based off of a recent experimental setup which contained the plastic bonded explosive PBX 9404. Detonation velocity versus time curves for this explosive were obtained from the experimental velocity data collected using Photon Doppler Velocimetry (PDV). The modeled results from each of the burn models tested were then compared to one another and to the experimental results using the Jones-Wilkins-Lee (JWL) equation of state parameters that were determined and adjusted from the experimental tests. This study is important to validate the accuracy of our high explosive burn models and the calibrated EOS parameters, which are important for many research topics in physical sciences.

Analysis of xRAGE and flag high explosive burn models with PBX 9404 cylinder tests

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

Harrier, Danielle; Andersen, Kyle Richard

High explosives are energetic materials that release their chemical energy in a short interval of time. They are able to generate extreme heat and pressure by a shock driven chemical decomposition reaction, which makes them valuable tools that must be understood. This study investigated the accuracy and performance of two Los Alamos National Laboratory hydrodynamic codes, which are used to determine the behavior of explosives within a variety of systems: xRAGE which utilizes an Eulerian mesh, and FLAG with utilizes a Lagrangian mesh. Various programmed and reactive burn models within both codes were tested using a copper cylinder expansion test.more » The test was based on a recent experimental setup which contained the plastic bonded explosive PBX 9404. Detonation velocity versus time curves for this explosive were obtained using Photon Doppler Velocimetry (PDV). The modeled results from each of the burn models tested were then compared to one another and to the experimental results. This study validate« less

Non-adiabatic behavior in the homolytic and heterolytic bond dissociation of protonated hydrazine: A guided ion beam and theoretical investigation

NASA Astrophysics Data System (ADS)

McNary, Christopher P.; Armentrout, P. B.

2017-09-01

Threshold collision-induced dissociation using a guided ion beam tandem mass spectrometer was performed on protonated hydrazine and its perdeuterated variant. The dominant dissociation pathways observed were endothermic homolytic and heterolytic cleavages of the N-N bond. The data were analyzed using a statistical model after accounting for internal and kinetic energy distributions, multiple collisions, and kinetic shifts to obtain 0 K bond dissociation energies. Comparison with literature thermochemistry demonstrates that both channels behave non-adiabatically. Heterolytic bond cleavage yields NH2+ + NH3 products, but the NH2+ fragment is in the spin-restricted excited 1A1 state and not in the spin-forbidden ground 3B1 state, whereas homolytic bond cleavage leads to dissociation to the NH3+ + NH2 product asymptote with NH2 in its excited 2A1 state rather than the energetically favored 2B1 state. The rationale for the non-adiabatic behavior observed in the homolytic bond cleavage is revealed by detailed theoretical calculations of the relevant potential energy surfaces and the relevant occupied valence molecular orbitals. These calculations suggest that the non-adiabatic behavior results from conservation of the σ and π character of the binding and lone pair electrons on the nitrogen atoms.

Adiabat-shaping in indirect drive inertial confinement fusion

DOE PAGES

Baker, K. L.; Robey, H. F.; Milovich, J. L.; ...

2015-05-05

Adiabat-shaping techniques were investigated in this paper in indirect drive inertial confinement fusion experiments on the National Ignition Facility as a means to improve implosion stability, while still maintaining a low adiabat in the fuel. Adiabat-shaping was accomplished in these indirect drive experiments by altering the ratio of the picket and trough energies in the laser pulse shape, thus driving a decaying first shock in the ablator. This decaying first shock is designed to place the ablation front on a high adiabat while keeping the fuel on a low adiabat. These experiments were conducted using the keyhole experimental platform formore » both three and four shock laser pulses. This platform enabled direct measurement of the shock velocities driven in the glow-discharge polymer capsule and in the liquid deuterium, the surrogate fuel for a DT ignition target. The measured shock velocities and radiation drive histories are compared to previous three and four shock laser pulses. This comparison indicates that in the case of adiabat shaping the ablation front initially drives a high shock velocity, and therefore, a high shock pressure and adiabat. The shock then decays as it travels through the ablator to pressures similar to the original low-adiabat pulses when it reaches the fuel. Finally, this approach takes advantage of initial high ablation velocity, which favors stability, and high-compression, which favors high stagnation pressures.« less

The Effect of Specimen Size on the Results of Concrete Adiabatic Temperature Rise Test with Commercially Available Equipment.

PubMed

Lee, Byung Jae; Bang, Jin Wook; Shin, Kyung Joon; Kim, Yun Yong

2014-12-08

In this study, adiabatic temperature rise tests depending on binder type and adiabatic specimen volume were performed, and the maximum adiabatic temperature rises and the reaction factors for each mix proportion were analyzed and suggested. The results indicated that the early strength low heat blended cement mixture had the lowest maximum adiabatic temperature rise ( Q ∞ ) and the ternary blended cement mixture had the lowest reaction factor ( r ). Also, Q and r varied depending on the adiabatic specimen volume even when the tests were conducted with a calorimeter, which satisfies the recommendations for adiabatic conditions. Test results show a correlation: the measurements from the 50 L specimens were consistently higher than those from the 6 L specimens. However, the Q ∞ and r values of the 30 L specimen were similar to those of the 50 L specimen. Based on the above correlation, the adiabatic temperature rise of the 50 L specimen could be predicted using the results of the 6 L and 30 L specimens. Therefore, it is thought that this correlation can be used for on-site concrete quality control and basic research.

Pressure Amplification Off High Impedance Barriers in DDT

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

Heatwole, Eric Mann; Broilo, Robert M.; Kistle, Trevin Joseph

The Deflagration-to-Detonation Transition (DDT) in one-dimensional porous explosive, where combustion in an explosive transitions to detonation, can be described by the following model. This simplified model proceeds in five steps, as follows: 1) Ignition of the explosive, surface burning. 2) Convective burning, with the flame front penetrating through the porous network of the explosive. This proceeds until the pressure grows high enough to result in choked flow in the pores restricting the convective burn. 3) The choked flow results in the formation of a high-density compact of explosive. This compact is driven into undisturbed material by the pressure of themore » burning explosive. See Figure1. 4) The compression of the undisturbed porous explosive by the compact leads to the ignition of a compressive burn. This builds in pressure until a supported shock forms. 5) The shock builds in pressure until detonation occurs. See Figure 2 for an overview streak of the proceeding steps.« less

Comparison Between Surf and Multi-Shock Forest Fire High Explosive Burn Models

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

Greenfield, Nicholas Alexander

PAGOSA1 has several different burn models used to model high explosive detonation. Two of these, Multi-Shock Forest Fire and Surf, are capable of modeling shock initiation. Accurately calculating shock initiation of a high explosive is important because it is a mechanism for detonation in many accident scenarios (i.e. fragment impact). Comparing the models to pop-plot data give confidence that the models are accurately calculating detonation or lack thereof. To compare the performance of these models, pop-plots2 were created from simulations where one two cm block of PBX 9502 collides with another block of PBX 9502.

Observational tests of non-adiabatic Chaplygin gas

NASA Astrophysics Data System (ADS)

Carneiro, S.; Pigozzo, C.

2014-10-01

In a previous paper [1] it was shown that any dark sector model can be mapped into a non-adiabatic fluid formed by two interacting components, one with zero pressure and the other with equation-of-state parameter ω = -1. It was also shown that the latter does not cluster and, hence, the former is identified as the observed clustering matter. This guarantees that the dark matter power spectrum does not suffer from oscillations or instabilities. It applies in particular to the generalised Chaplygin gas, which was shown to be equivalent to interacting models at both background and perturbation levels. In the present paper we test the non-adiabatic Chaplygin gas against the Hubble diagram of type Ia supernovae, the position of the first acoustic peak in the anisotropy spectrum of the cosmic microwave background and the linear power spectrum of large scale structures. We consider two different compilations of SNe Ia, namely the Constitution and SDSS samples, both calibrated with the MLCS2k2 fitter, and for the power spectrum we use the 2dFGRS catalogue. The model parameters to be adjusted are the present Hubble parameter, the present matter density and the Chaplygin gas parameter α. The joint analysis best fit gives α ≈ - 0.5, which corresponds to a constant-rate energy flux from dark energy to dark matter, with the dark energy density decaying linearly with the Hubble parameter. The ΛCDM model, equivalent to α = 0, stands outside the 3σ confidence interval.

Multivariate analysis of standoff laser-induced breakdown spectroscopy spectra for classification of explosive-containing residues

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

De Lucia, Frank C. Jr.; Gottfried, Jennifer L.; Munson, Chase A.

2008-11-01

A technique being evaluated for standoff explosives detection is laser-induced breakdown spectroscopy (LIBS). LIBS is a real-time sensor technology that uses components that can be configured into a ruggedized standoff instrument. The U.S. Army Research Laboratory has been coupling standoff LIBS spectra with chemometrics for several years now in order to discriminate between explosives and nonexplosives. We have investigated the use of partial least squares discriminant analysis (PLS-DA) for explosives detection. We have extended our study of PLS-DA to more complex sample types, including binary mixtures, different types of explosives, and samples not included in the model. We demonstrate themore » importance of building the PLS-DA model by iteratively testing it against sample test sets. Independent test sets are used to test the robustness of the final model.« less

Hot-spot contributions in shocked high explosives from mesoscale ignition models

NASA Astrophysics Data System (ADS)

Levesque, G.; Vitello, P.; Howard, W. M.

2013-06-01

High explosive performance and sensitivity is strongly related to the mesoscale defect densities. Bracketing the population of mesoscale hot spots that are active in the shocked ignition of explosives is important for the development of predictive reactive flow models. By coupling a multiphysics-capable hydrodynamics code (ale3d) with a chemical kinetics solver (cheetah), we can parametrically analyze different pore sizes undergoing collapse in high pressure shock conditions with evolving physical parameter fields. Implementing first-principles based decomposition kinetics, burning hot spots are monitored, and the regimes of pore sizes that contribute significantly to burnt mass faction and those that survive thermal conduction on the time scales of ignition are elucidated. Comparisons are drawn between the thermal explosion theory and the multiphysics models for the determination of nominal pore sizes that burn significantly during ignition for the explosive 1,3,5-triamino-2,4,6-trinitrobenzene.

Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)

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

Kroes, Geert-Jan, E-mail: g.j.kroes@chem.leidenuniv.nl; Pavanello, Michele; Blanco-Rey, María

2014-08-07

Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of themore » incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction (“EF”) model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated “post” (“p”) the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy loss in the range 0.2-0.3 eV due to ehp excitation, which should be possible to observe. The average non-adiabatic energy losses for non-penetrative scattering exceed the adiabatic losses to phonons by 0.9-1.0 eV. This suggests that for scattering of hyperthermal H-atoms from coinage metals the dominant energy dissipation channel should be to ehp excitation. These predictions can be tested by experiments that combine techniques for generating H-atom beams that are well resolved in translational energy and for detecting the scattered atoms with high energy-resolution.« less

Broadband photonic transport between waveguides by adiabatic elimination

NASA Astrophysics Data System (ADS)

Oukraou, Hassan; Coda, Virginie; Rangelov, Andon A.; Montemezzani, Germano

2018-02-01

We propose an adiabatic method for the robust transfer of light between the two outer waveguides in a three-waveguide directional coupler. Unlike the established technique inherited from stimulated Raman adiabatic passage (STIRAP), the method proposed here is symmetric with respect to an exchange of the left and right waveguides in the structure and permits the transfer in both directions. The technique uses the adiabatic elimination of the middle waveguide together with level crossing and adiabatic passage in an effective two-state system involving only the external waveguides. It requires a strong detuning between the outer and the middle waveguide and does not rely on the adiabatic transfer state (dark state) underlying the STIRAP process. The suggested technique is generalized to an array of N waveguides and verified by numerical beam propagation calculations.

Is the addition of an assisted driving Hamiltonian always useful for adiabatic evolution?

NASA Astrophysics Data System (ADS)

Sun, Jie; Lu, Songfeng; Li, Li

2017-04-01

It has been known that when an assisted driving item is added to the main system Hamiltonian, the efficiency of the resultant adiabatic evolution can be significantly improved. In some special cases, it can be seen that only through adding an assisted driving Hamiltonian can the resulting adiabatic evolution be made not to fail. Thus the additional driving Hamiltonian plays an important role in adiabatic computing. In this paper, we show that if the driving Hamiltonian is chosen inappropriately, the adiabatic computation may still fail. More importantly, we find that the adiabatic computation can only succeed if the assisted driving Hamiltonian has a relatively fixed form. This may help us understand why in the related literature all of the driving Hamiltonians used share the same form.

Two-dimensional adiabatic flows on to a black hole - I. Fluid accretion

NASA Astrophysics Data System (ADS)

Blandford, Roger D.; Begelman, Mitchell C.

2004-03-01

When gas accretes on to a black hole, at a rate either much less than or much greater than the Eddington rate, it is likely to do so in an `adiabatic' or radiatively inefficient manner. Under fluid (as opposed to magnetohydrodynamic) conditions, the disc should become convective and evolve toward a state of marginal instability. We model the resulting disc structure as `gyrentropic', with convection proceeding along common surfaces of constant angular momentum, Bernouilli function and entropy, called `gyrentropes'. We present a family of two-dimensional, self-similar models that describes the time-averaged disc structure. We then suppose that there is a self-similar, Newtonian torque, which dominates the angular momentum transport and that the Prandtl number is large so that convection dominates the heat transport. The torque drives inflow and meridional circulation and the resulting flow is computed. Convective transport will become ineffectual near the disc surface. It is conjectured that this will lead to a large increase of entropy across a `thermal front', which we identify as the effective disc surface and the base of an outflow. The conservation of mass, momentum and energy across this thermal front permits a matching of the disc models to self-similar outflow solutions. We then demonstrate that self-similar disc solutions can be matched smoothly on to relativistic flows at small radius and thin discs at large radius. This model of adiabatic accretion is contrasted with some alternative models that have been discussed recently. The disc models developed in this paper should be useful for interpreting numerical, fluid dynamical simulations. Related principles to those described here may govern the behaviour of astrophysically relevant, magnetohydrodynamic disc models.

A global multilevel atmospheric model using a vector semi-Lagrangian finite-difference scheme. I - Adiabatic formulation

NASA Technical Reports Server (NTRS)

Bates, J. R.; Moorthi, S.; Higgins, R. W.

1993-01-01

An adiabatic global multilevel primitive equation model using a two time-level, semi-Lagrangian semi-implicit finite-difference integration scheme is presented. A Lorenz grid is used for vertical discretization and a C grid for the horizontal discretization. The momentum equation is discretized in vector form, thus avoiding problems near the poles. The 3D model equations are reduced by a linear transformation to a set of 2D elliptic equations, whose solution is found by means of an efficient direct solver. The model (with minimal physics) is integrated for 10 days starting from an initialized state derived from real data. A resolution of 16 levels in the vertical is used, with various horizontal resolutions. The model is found to be stable and efficient, and to give realistic output fields. Integrations with time steps of 10 min, 30 min, and 1 h are compared, and the differences are found to be acceptable.

Simulating the Thermal Response of High Explosives on Time Scales of Days to Microseconds

NASA Astrophysics Data System (ADS)

Yoh, Jack J.; McClelland, Matthew A.

2004-07-01

We present an overview of computational techniques for simulating the thermal cookoff of high explosives using a multi-physics hydrodynamics code, ALE3D. Recent improvements to the code have aided our computational capability in modeling the response of energetic materials systems exposed to extreme thermal environments, such as fires. We consider an idealized model process for a confined explosive involving the transition from slow heating to rapid deflagration in which the time scale changes from days to hundreds of microseconds. The heating stage involves thermal expansion and decomposition according to an Arrhenius kinetics model while a pressure-dependent burn model is employed during the explosive phase. We describe and demonstrate the numerical strategies employed to make the transition from slow to fast dynamics.

Explosive response model evaluation using the explosive H6

NASA Astrophysics Data System (ADS)

Sutherland, Gerrit T.; Burns, Joseph

2000-04-01

Reactive rate model parameters for a two term Lee Tarver [simplified ignition and growth (SIG)] model were obtained for the explosive H6 from modified gap test data. These model was used to perform simulations of the underwater sensitivity test (UST) using the CTH hydrocode. Reaction was predicted in the simulations for the same water gaps that reaction was observed in the UST. The expansions observed for the UST samples were not simulated correctly, and this is attributed to the density equilibrium conditions imposed between unreacted and reacted components in CTH for the Lee-Tarver model.

Including Memory Friction in Single- and Two-State Quantum Dynamics Simulations.

PubMed

Brown, Paul A; Messina, Michael

2016-03-03

We present a simple computational algorithm that allows for the inclusion of memory friction in a quantum dynamics simulation of a small, quantum, primary system coupled to many atoms in the surroundings. We show how including a memory friction operator, F̂, in the primary quantum system's Hamiltonian operator builds memory friction into the dynamics of the primary quantum system. We show that, in the harmonic, semi-classical limit, this friction operator causes the classical phase-space centers of a wavepacket to evolve exactly as if it were a classical particle experiencing memory friction. We also show that this friction operator can be used to include memory friction in the quantum dynamics of an anharmonic primary system. We then generalize the algorithm so that it can be used to treat a primary quantum system that is evolving, non-adiabatically on two coupled potential energy surfaces, i.e., a model that can be used to model H atom transfer, for example. We demonstrate this approach's computational ease and flexibility by showing numerical results for both harmonic and anharmonic primary quantum systems in the single surface case. Finally, we present numerical results for a model of non-adiabatic H atom transfer between a reactant and product state that includes memory friction on one or both of the non-adiabatic potential energy surfaces and uncover some interesting dynamical effects of non-memory friction on the H atom transfer process.

Supernova constraints on neutrino oscillation and EoS for proto-neutron star

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

Kajino, T.; Aoki, W.; Cheoun, M.-K.

2014-05-02

Core-collapse supernovae eject huge amount of flux of energetic neutrinos which affect explosive nucleosynthesis of rare isotopes like {sup 7}Li, {sup 11}B, {sup 92}Nb, {sup 138}La and Ta and r-process elements. Several isotopes depend strongly on the neutrino flavor oscillation due to the Mikheyev-Smirnov-Wolfenstein (MSW) effect. We here discuss how to determine the neutrino temperatures and propose a method to determine still unknown neutrino oscillation parameters, mass hierarchy and θ{sub 13}, simultaneously. Combining the recent experimental constraints on θ{sub 13} with isotopic ratios of the light elements discovered in presolar grains from the Murchison meteorite, we show that our methodmore » suggests at a marginal preference for an inverted neutrino mass hierarchy. We also discuss supernova relic neutrinos that may indicate the softness of the equation of state (EoS) of nuclear matter as well as adiabatic conditions of the neutrino oscillation.« less

The inclusion of capillary distribution in the adiabatic tissue homogeneity model of blood flow

NASA Astrophysics Data System (ADS)

Koh, T. S.; Zeman, V.; Darko, J.; Lee, T.-Y.; Milosevic, M. F.; Haider, M.; Warde, P.; Yeung, I. W. T.

2001-05-01

We have developed a non-invasive imaging tracer kinetic model for blood flow which takes into account the distribution of capillaries in tissue. Each individual capillary is assumed to follow the adiabatic tissue homogeneity model. The main strength of our new model is in its ability to quantify the functional distribution of capillaries by the standard deviation in the time taken by blood to pass through the tissue. We have applied our model to the human prostate and have tested two different types of distribution functions. Both distribution functions yielded very similar predictions for the various model parameters, and in particular for the standard deviation in transit time. Our motivation for developing this model is the fact that the capillary distribution in cancerous tissue is drastically different from in normal tissue. We believe that there is great potential for our model to be used as a prognostic tool in cancer treatment. For example, an accurate knowledge of the distribution in transit times might result in an accurate estimate of the degree of tumour hypoxia, which is crucial to the success of radiation therapy.

STUDY OF THERMAL SENSITIVITY AND THERMAL EXPLOSION VIOLENCE OF ENERGETIC MATERIALS IN THE LLNL ODTX SYSTEM

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

HSU, P C; Hust, G; May, C

Some energetic materials may explode at fairly low temperatures and the violence from thermal explosion may cause a significant damage. Thus it is important to understand the response of energetic materials to thermal insults for safe handling and storage of energetic materials. The One Dimensional Time to Explosion (ODTX) system at the Lawrence Livermore National Laboratory can measure times to explosion, lowest explosion temperatures, and determine kinetic parameters of energetic materials. Samples of different configurations can be tested in the system. The ODTX testing can also generate useful data for determining thermal explosion violence of energetic materials. We also performedmore » detonation experiments of LX-10 in aluminum anvils to determine the detonation violence and validated the Zerilli Armstrong aluminum model. Results of the detonation experiments agreed well with the model prediction.« less

Coupled Hydrodynamic and Wave Propagation Modeling for the Source Physics Experiment: Study of Rg Wave Sources for SPE and DAG series.

NASA Astrophysics Data System (ADS)

Larmat, C. S.; Delorey, A.; Rougier, E.; Knight, E. E.; Steedman, D. W.; Bradley, C. R.

2017-12-01

This presentation reports numerical modeling efforts to improve knowledge of the processes that affect seismic wave generation and propagation from underground explosions, with a focus on Rg waves. The numerical model is based on the coupling of hydrodynamic simulation codes (Abaqus, CASH and HOSS), with a 3D full waveform propagation code, SPECFEM3D. Validation datasets are provided by the Source Physics Experiment (SPE) which is a series of highly instrumented chemical explosions at the Nevada National Security Site with yields from 100kg to 5000kg. A first series of explosions in a granite emplacement has just been completed and a second series in alluvium emplacement is planned for 2018. The long-term goal of this research is to review and improve current existing seismic sources models (e.g. Mueller & Murphy, 1971; Denny & Johnson, 1991) by providing first principles calculations provided by the coupled codes capability. The hydrodynamic codes, Abaqus, CASH and HOSS, model the shocked, hydrodynamic region via equations of state for the explosive, borehole stemming and jointed/weathered granite. A new material model for unconsolidated alluvium materials has been developed and validated with past nuclear explosions, including the 10 kT 1965 Merlin event (Perret, 1971) ; Perret and Bass, 1975). We use the efficient Spectral Element Method code, SPECFEM3D (e.g. Komatitsch, 1998; 2002), and Geologic Framework Models to model the evolution of wavefield as it propagates across 3D complex structures. The coupling interface is a series of grid points of the SEM mesh situated at the edge of the hydrodynamic code domain. We will present validation tests and waveforms modeled for several SPE tests which provide evidence that the damage processes happening in the vicinity of the explosions create secondary seismic sources. These sources interfere with the original explosion moment and reduces the apparent seismic moment at the origin of Rg waves up to 20%.

Coherent states, quantum gravity, and the Born-Oppenheimer approximation. I. General considerations

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

Stottmeister, Alexander, E-mail: alexander.stottmeister@gravity.fau.de; Thiemann, Thomas, E-mail: thomas.thiemann@gravity.fau.de

2016-06-15

This article, as the first of three, aims at establishing the (time-dependent) Born-Oppenheimer approximation, in the sense of space adiabatic perturbation theory, for quantum systems constructed by techniques of the loop quantum gravity framework, especially the canonical formulation of the latter. The analysis presented here fits into a rather general framework and offers a solution to the problem of applying the usual Born-Oppenheimer ansatz for molecular (or structurally analogous) systems to more general quantum systems (e.g., spin-orbit models) by means of space adiabatic perturbation theory. The proposed solution is applied to a simple, finite dimensional model of interacting spin systems,more » which serves as a non-trivial, minimal model of the aforesaid problem. Furthermore, it is explained how the content of this article and its companion affect the possible extraction of quantum field theory on curved spacetime from loop quantum gravity (including matter fields).« less

Evolution of fNL to the adiabatic limit

NASA Astrophysics Data System (ADS)

Elliston, Joseph; Mulryne, David J.; Seery, David; Tavakol, Reza

2011-11-01

We study inflationary perturbations in multiple-field models, for which ζ typically evolves until all isocurvature modes decay — the "adiabatic limit". We use numerical methods to explore the sensitivity of the local-shape bispectrum to the process by which this limit is achieved, finding an appreciable dependence on model-specific data such as the time at which slow-roll breaks down or the timescale of reheating. In models with a sum-separable potential where the isocurvature modes decay before the end of the slow-roll phase we give an analytic criterion for the asymptotic value of fNL to be large. Other examples can be constructed using a waterfall field to terminate inflation while fNL is transiently large, caused by descent from a ridge or convergence into a valley. We show that these two types of evolution are distinguished by the sign of the bispectrum, and give approximate expressions for the peak fNL.

A unified wall function for compressible turbulence modelling

NASA Astrophysics Data System (ADS)

Ong, K. C.; Chan, A.

2018-05-01

Turbulence modelling near the wall often requires a high mesh density clustered around the wall and the first cells adjacent to the wall to be placed in the viscous sublayer. As a result, the numerical stability is constrained by the smallest cell size and hence requires high computational overhead. In the present study, a unified wall function is developed which is valid for viscous sublayer, buffer sublayer and inertial sublayer, as well as including effects of compressibility, heat transfer and pressure gradient. The resulting wall function applies to compressible turbulence modelling for both isothermal and adiabatic wall boundary conditions with the non-zero pressure gradient. Two simple wall function algorithms are implemented for practical computation of isothermal and adiabatic wall boundary conditions. The numerical results show that the wall function evaluates the wall shear stress and turbulent quantities of wall adjacent cells at wide range of non-dimensional wall distance and alleviate the number and size of cells required.

Statistical Hotspot Model for Explosive Detonation

NASA Astrophysics Data System (ADS)

Nichols, Albert

2005-07-01

The presence and need for energy localization in the ignition and detonation of high explosives is a corner stone in our understanding of explosive behavior. This energy localization, known as hot spots, provides the match that starts the energetic response that is integral to the detonation. In our model, we use the life cycle of a hot spot to predict explosive response. This life cycle begins with a random distribution of inhomogeneities in the explosive that we describe as a potential hot spot. A shock wave can transform these into hot spots that can then grow by consuming the explosive around them. The fact that the shock wave can collapse a potential hot spot without causing ignition is required in order to model phenomena like dead pressing. The burn rate of the hot spot is taken directly from experimental data. In our approach we do not assume that every hot spot is burning in an identical environment, but rather we take a statistical approach to the burning process. We also do not make a uniform temperature assumption in order to close the mixture equation of state, but track the flow of energy from reactant to product. Finally, we include both the hot spot burn model and a thermal decomposition path, required to explain certain long time behaviors. Building on work performed by Reaugh et. al., we have developed a set of reaction parameters for an HMX based heterogeneous explosive. These parameters have been determined from computer models on the micron scale, and experimental data. This model will be compared to experimental rate stick data. This work was performed under the auspices of the U.S. Department of Energy by University of California, Lawrence Livermore National Laboratory under Contract W-7405-Eng-48.

Turbulent Combustion in SDF Explosions

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

Kuhl, A L; Bell, J B; Beckner, V E

2009-11-12

A heterogeneous continuum model is proposed to describe the dispersion and combustion of an aluminum particle cloud in an explosion. It combines the gas-dynamic conservation laws for the gas phase with a continuum model for the dispersed phase, as formulated by Nigmatulin. Inter-phase mass, momentum and energy exchange are prescribed by phenomenological models. It incorporates a combustion model based on the mass conservation laws for fuel, air and products; source/sink terms are treated in the fast-chemistry limit appropriate for such gasdynamic fields, along with a model for mass transfer from the particle phase to the gas. The model takes intomore » account both the afterburning of the detonation products of the C-4 booster with air, and the combustion of the Al particles with air. The model equations were integrated by high-order Godunov schemes for both the gas and particle phases. Numerical simulations of the explosion fields from 1.5-g Shock-Dispersed-Fuel (SDF) charge in a 6.6 liter calorimeter were used to validate the combustion model. Then the model was applied to 10-kg Al-SDF explosions in a an unconfined height-of-burst explosion. Computed pressure histories are compared with measured waveforms. Differences are caused by physical-chemical kinetic effects of particle combustion which induce ignition delays in the initial reactive blast wave and quenching of reactions at late times. Current simulations give initial insights into such modeling issues.« less

Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics

NASA Astrophysics Data System (ADS)

Tao, Xuecheng; Shushkov, Philip; Miller, Thomas F.

2018-03-01

We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is introduced such that Boltzmann sampling of the isomorphic Hamiltonian with classical nuclear degrees of freedom yields the exact quantum Boltzmann distribution for the original physical system. In the limit of a single electronic energy level, the isomorphic Hamiltonian reduces to the familiar cases of either ring polymer molecular dynamics (RPMD) or centroid molecular dynamics Hamiltonians, depending on the implementation. An advantage of the isomorphic Hamiltonian is that it can easily be combined with existing mixed quantum-classical dynamics methods, such as surface hopping or Ehrenfest dynamics, to enable the simulation of electronically non-adiabatic processes with nuclear quantum effects. We present numerical applications of the isomorphic Hamiltonian to model two- and three-level systems, with encouraging results that include improvement upon a previously reported combination of RPMD with surface hopping in the deep-tunneling regime.

Efficient Online Optimized Quantum Control for Adiabatic Quantum Computation

NASA Astrophysics Data System (ADS)

Quiroz, Gregory

Adiabatic quantum computation (AQC) relies on controlled adiabatic evolution to implement a quantum algorithm. While control evolution can take many forms, properly designed time-optimal control has been shown to be particularly advantageous for AQC. Grover's search algorithm is one such example where analytically-derived time-optimal control leads to improved scaling of the minimum energy gap between the ground state and first excited state and thus, the well-known quadratic quantum speedup. Analytical extensions beyond Grover's search algorithm present a daunting task that requires potentially intractable calculations of energy gaps and a significant degree of model certainty. Here, an in situ quantum control protocol is developed for AQC. The approach is shown to yield controls that approach the analytically-derived time-optimal controls for Grover's search algorithm. In addition, the protocol's convergence rate as a function of iteration number is shown to be essentially independent of system size. Thus, the approach is potentially scalable to many-qubit systems.

Robustness against parametric noise of nonideal holonomic gates

NASA Astrophysics Data System (ADS)

Lupo, Cosmo; Aniello, Paolo; Napolitano, Mario; Florio, Giuseppe

2007-07-01

Holonomic gates for quantum computation are commonly considered to be robust against certain kinds of parametric noise, the cause of this robustness being the geometric character of the transformation achieved in the adiabatic limit. On the other hand, the effects of decoherence are expected to become more and more relevant when the adiabatic limit is approached. Starting from the system described by Florio [Phys. Rev. A 73, 022327 (2006)], here we discuss the behavior of nonideal holonomic gates at finite operational time, i.e., long before the adiabatic limit is reached. We have considered several models of parametric noise and studied the robustness of finite-time gates. The results obtained suggest that the finite-time gates present some effects of cancellation of the perturbations introduced by the noise which mimic the geometrical cancellation effect of standard holonomic gates. Nevertheless, a careful analysis of the results leads to the conclusion that these effects are related to a dynamical instead of a geometrical feature.

Using optimal control methods with constraints to generate singlet states in NMR

NASA Astrophysics Data System (ADS)

Rodin, Bogdan A.; Kiryutin, Alexey S.; Yurkovskaya, Alexandra V.; Ivanov, Konstantin L.; Yamamoto, Satoru; Sato, Kazunobu; Takui, Takeji

2018-06-01

A method is proposed for optimizing the performance of the APSOC (Adiabatic-Passage Spin Order Conversion) technique, which can be exploited in NMR experiments with singlet spin states. In this technique magnetization-to-singlet conversion (and singlet-to-magnetization conversion) is performed by using adiabatically ramped RF-fields. Optimization utilizes the GRAPE (Gradient Ascent Pulse Engineering) approach, in which for a fixed search area we assume monotonicity to the envelope of the RF-field. Such an approach allows one to achieve much better performance for APSOC; consequently, the efficiency of magnetization-to-singlet conversion is greatly improved as compared to simple model RF-ramps, e.g., linear ramps. We also demonstrate that the optimization method is reasonably robust to possible inaccuracies in determining NMR parameters of the spin system under study and also in setting the RF-field parameters. The present approach can be exploited in other NMR and EPR applications using adiabatic switching of spin Hamiltonians.

Jupiter's evolution with primordial composition gradients

NASA Astrophysics Data System (ADS)

Vazan, Allona; Helled, Ravit; Guillot, Tristan

2018-02-01

Recent formation and structure models of Jupiter suggest that the planet can have composition gradients and not be fully convective (adiabatic). This possibility directly affects our understanding of Jupiter's bulk composition and origin. In this Letter we present Jupiter's evolution with a primordial structure consisting of a relatively steep heavy-element gradient of 40 M⊕. We show that for a primordial structure with composition gradients, most of the mixing occurs in the outer part of the gradient during the early evolution (several 107 yr), leading to an adiabatic outer envelope (60% of Jupiter's mass). We find that the composition gradient in the deep interior persists, suggesting that 40% of Jupiter's mass can be non-adiabatic with a higher temperature than the one derived from Jupiter's atmospheric properties. The region that can potentially develop layered convection in Jupiter today is estimated to be limited to 10% of the mass. Movies associated to Figs. 1-3 are available at http://https://www.aanda.org

Adiabatic quantum computation

NASA Astrophysics Data System (ADS)

Albash, Tameem; Lidar, Daniel A.

2018-01-01

Adiabatic quantum computing (AQC) started as an approach to solving optimization problems and has evolved into an important universal alternative to the standard circuit model of quantum computing, with deep connections to both classical and quantum complexity theory and condensed matter physics. This review gives an account of the major theoretical developments in the field, while focusing on the closed-system setting. The review is organized around a series of topics that are essential to an understanding of the underlying principles of AQC, its algorithmic accomplishments and limitations, and its scope in the more general setting of computational complexity theory. Several variants are presented of the adiabatic theorem, the cornerstone of AQC, and examples are given of explicit AQC algorithms that exhibit a quantum speedup. An overview of several proofs of the universality of AQC and related Hamiltonian quantum complexity theory is given. Considerable space is devoted to stoquastic AQC, the setting of most AQC work to date, where obstructions to success and their possible resolutions are discussed.

Adiabatic approximation with exponential accuracy for many-body systems and quantum computation

NASA Astrophysics Data System (ADS)

Lidar, Daniel A.; Rezakhani, Ali T.; Hamma, Alioscia

2009-10-01

We derive a version of the adiabatic theorem that is especially suited for applications in adiabatic quantum computation, where it is reasonable to assume that the adiabatic interpolation between the initial and final Hamiltonians is controllable. Assuming that the Hamiltonian is analytic in a finite strip around the real-time axis, that some number of its time derivatives vanish at the initial and final times, and that the target adiabatic eigenstate is nondegenerate and separated by a gap from the rest of the spectrum, we show that one can obtain an error between the final adiabatic eigenstate and the actual time-evolved state which is exponentially small in the evolution time, where this time itself scales as the square of the norm of the time derivative of the Hamiltonian divided by the cube of the minimal gap.

Adiabatic and Non-adiabatic quenches in a Spin-1 Bose Einstein Condensate

NASA Astrophysics Data System (ADS)

Boguslawski, Matthew; Hebbe Madhusudhana, Bharath; Anquez, Martin; Robbins, Bryce; Barrios, Maryrose; Hoang, Thai; Chapman, Michael

2016-05-01

A quantum phase transition (QPT) is observed in a wide range of phenomena. We have studied the dynamics of a spin-1 ferromagnetic Bose-Einstein condensate for both adiabatic and non-adiabatic quenches through a QPT. At the quantum critical point (QCP), finite size effects lead to a non-zero gap, which makes an adiabatic quench possible through the QPT. We experimentally demonstrate such a quench, which is forbidden at the mean field level. For faster quenches through the QCP, the vanishing energy gap causes the reaction timescale of the system to diverge, preventing the system from adiabatically following the ground state. We measure the temporal evolution of the spin populations for different quench speeds and determine the exponents characterizing the scaling of the onset of excitations, which are in good agreement with the predictions of Kibble-Zurek mechanism.

Model-based estimation of adiabatic flame temperature during coal gasification

NASA Astrophysics Data System (ADS)

Sarigul, Ihsan Mert

Coal gasification temperature distribution in the gasifier is one of the important issues. High temperature may increase the risk of corrosion of the gasifier wall or it may cause an increase in the amount of volatile compounds. At the same time, gasification temperature is a dominant factor for high conversion of products and completing the reactions during coal gasification in a short time. In the light of this information it can be said that temperature is one of key parameters of coal gasification to enhance the production of high heating value syngas and maximize refractory longevity. This study aims to predict the adiabatic flame temperatures of Australian bituminous coal and Indonesian roto coal in an entrained flow gasifier using different operating conditions with the ChemCAD simulation and design program. To achieve these objectives, two types of gasification parameters were carried out using simulation of a vertical entrained flow reactor: oxygen-to-coal feed ratio by kg/kg and pressure and steam-to-coal feed ratio by kg/kg and pressure. In the first part of study the adiabatic flame temperatures, coal gasification products and other coal characteristics of two types of coals were determined using ChemCAD software. During all simulations, coal feed rate, coal particle size, initial temperature of coal, water and oxygen were kept constant. The relationships between flame temperature, coal gasification products and operating parameters were fundamentally investigated. The second part of this study addresses the modeling of the flame temperature relation to methane production and other input parameters used previous chapter. The scope of this work was to establish a reasonable model in order to estimate flame temperature without any theoretical calculation. Finally, sensitivity analysis was performed after getting some basic correlations between temperature and input variables. According to the results, oxygen-to-coal feed ratio has the most influential effect on adiabatic flame temperature.

Cosmological and supernova neutrinos

NASA Astrophysics Data System (ADS)

Kajino, T.; Aoki, W.; Balantekin, A. B.; Cheoun, M.-K.; Hayakawa, T.; Hidaka, J.; Hirai, Y.; Kusakabe, M.; Mathews, G. J.; Nakamura, K.; Pehlivan, Y.; Shibagaki, S.; Suzuki, T.

2014-06-01

The Big Bang nucleosynthesis (BBN) and the cosmic microwave background (CMB) anisotropies are the pillars of modern cosmology. It has recently been suggested that axion which is a dark matter candidate in the framework of the standard model could condensate in the early universe and induce photon cooling before the epoch of the photon last scattering. Although this may render a solution to the overproduction problem of primordial 7Li abundance, there arises another serious difficulty of overproducing D abundance. We propose a hybrid dark matter model with both axions and relic supersymmetric (SUSY) particles to solve both overproduction problems of the primordial D and 7Li abundances simultaneously. The BBN also serves to constrain the nature of neutrinos. Considering non-thermal photons produced in the decay of the heavy sterile neutrinos due to the magnetic moment, we explore the cosmological constraint on the strength of neutrino magnetic moment consistent with the observed light element abundances. Core-collapse supernovae eject huge flux of energetic neutrinos which affect explosive nucleosynthesis of rare isotopes like 7Li, 11B, 92Nb, 138La and 180Ta and r-process elements. Several isotopes depend strongly on the neutrino flavor oscillation due to the Mikheyev-Smirnov-Wolfenstein (MSW) effect. Combining the recent experimental constraints on θ13 with predicted and observed supernova-produced abundance ratio 11B/7Li encapsulated in the presolar grains from the Murchison meteorite, we show a marginal preference for an inverted neutrino mass hierarchy. We also discuss supernova relic neutrinos (SRN) that may indicate the softness of the equation of state (EoS) of nuclear matter and adiabatic conditions of the neutrino oscillation.

High-Energy, Multi-Octave-Spanning Mid-IR Sources via Adiabatic Difference Frequency Generation

DTIC Science & Technology

2016-10-17

plan. We have evaluated a brand -new concept in nonlinear optics, adiabatic difference frequency generation (ADFG) for the efficient transfer of...achieved the main goals of our research plan. We have evaluated a brand -new concept in nonlinear optics, adiabatic difference frequency generation (ADFG...research plan. We have evaluated a brand -new concept in nonlinear optics, adiabatic difference frequency generation (ADFG) for the efficient transfer of

A Classical Nova Explosion in a Binary System with B[e] Star

NASA Astrophysics Data System (ADS)

Filippova, E.; Revnivtsev, M.; Lutovinov, A.

2011-09-01

The description of a thermonuclear runaway on a white dwarf, which causes a Classical Nova (CN) explosion, has several uncertainties. Observational tests of models are challenging because the majority of CNe are observed in optical and NIR spectral bands days after the onset of the explosion. We propose to use the properties of the X-ray emission of CNe for these tests. We have developed a model for the 1998 CN explosion in the binary system CI Cam. According to the adopted model the stellar wind from the optical component (a B[e] star), heated by a strong shock wave that was produced when matter was ejected from the white dwarf as the result of a thermonuclear explosion on its surface, is the source of X-ray emission in the standard X-ray band (˜ 2 - 10 keV). We use this model to explain the behaviour of the X-ray luminosity and of the mean temperature of the heated material during the explosion, and obtain velocity and mass estimates of the ejected matter from the WD surface. Discrepancies between model and observations, for example the slower decline of the theoretical luminosity compared to the observed one, are likely caused by the rough assumption of spherical symmetry. Using 3D calculations we find possible density perturbations (accretion wakes) that can reconcile theory with observations.

Three-dimensional stochastic modeling of radiation belts in adiabatic invariant coordinates

NASA Astrophysics Data System (ADS)

Zheng, Liheng; Chan, Anthony A.; Albert, Jay M.; Elkington, Scot R.; Koller, Josef; Horne, Richard B.; Glauert, Sarah A.; Meredith, Nigel P.

2014-09-01

A 3-D model for solving the radiation belt diffusion equation in adiabatic invariant coordinates has been developed and tested. The model, named Radbelt Electron Model, obtains a probabilistic solution by solving a set of Itô stochastic differential equations that are mathematically equivalent to the diffusion equation. This method is capable of solving diffusion equations with a full 3-D diffusion tensor, including the radial-local cross diffusion components. The correct form of the boundary condition at equatorial pitch angle α0=90° is also derived. The model is applied to a simulation of the October 2002 storm event. At α0 near 90°, our results are quantitatively consistent with GPS observations of phase space density (PSD) increases, suggesting dominance of radial diffusion; at smaller α0, the observed PSD increases are overestimated by the model, possibly due to the α0-independent radial diffusion coefficients, or to insufficient electron loss in the model, or both. Statistical analysis of the stochastic processes provides further insights into the diffusion processes, showing distinctive electron source distributions with and without local acceleration.

Toward an Empirically-Based Parametric Explosion Spectral Model

DTIC Science & Technology

2011-09-01

Site (NNSS, formerly the Nevada Test Site ) with data from explosions at the Semipalatinsk Test ...Nevada Test Site ) with data from explosions at the Semipalatinsk Test Site recorded at the Borovoye Geophysical Observatory (BRV). The BRV data archive...explosions at Semipalatinsk Test Site of the former Soviet Union (Figure 4). As an example, we plot the regional phase spectra of one of

The vibrationally adiabatic torsional potential energy surface of trans-stilbene

NASA Astrophysics Data System (ADS)

Chowdary, Praveen D.; Martinez, Todd J.; Gruebele, Martin

2007-05-01

The effect of vibrational Zero Point Energy (ZPE) on the torsional barriers of trans-stilbene is studied in the adiabatic approximation. The two torsional modes corresponding to phenyl rotation are explicitly separated, and the remaining modes are treated as normal coordinates. ZPE reduces the adiabatic barrier along the in-phase torsion from 198 to 13 cm -1. A one-dimensional adiabatic potential for the anti-phase torsion, including the ZPE of the in-phase torsion, reduces the adiabatic barrier from 260 to 58 cm -1. Comparison with recent electronic structure benchmark calculations suggests that vibrational corrections play a significant role in trans-stilbene's experimentally observed planar structure.

Fast adiabatic quantum state transfer and entanglement generation between two atoms via dressed states

PubMed Central

Wu, Jin-Lei; Ji, Xin; Zhang, Shou

2017-01-01

We propose a dressed-state scheme to achieve shortcuts to adiabaticity in atom-cavity quantum electrodynamics for speeding up adiabatic two-atom quantum state transfer and maximum entanglement generation. Compared with stimulated Raman adiabatic passage, the dressed-state scheme greatly shortens the operation time in a non-adiabatic way. By means of some numerical simulations, we determine the parameters which can guarantee the feasibility and efficiency both in theory and experiment. Besides, numerical simulations also show the scheme is robust against the variations in the parameters, atomic spontaneous emissions and the photon leakages from the cavity. PMID:28397793

Toward Improved Fidelity of Thermal Explosion Simulations

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

Nichols, A L; Becker, R; Howard, W M

2009-07-17

We will present results of an effort to improve the thermal/chemical/mechanical modeling of HMX based explosive like LX04 and LX10 for thermal cook-off. The original HMX model and analysis scheme were developed by Yoh et.al. for use in the ALE3D modeling framework. The current results were built to remedy the deficiencies of that original model. We concentrated our efforts in four areas. The first area was addition of porosity to the chemical material model framework in ALE3D that is used to model the HMX explosive formulation. This is needed to handle the roughly 2% porosity in solid explosives. The secondmore » area was the improvement of the HMX reaction network, which included the inclusion of a reactive phase change model base on work by Henson et.al. The third area required adding early decomposition gas species to the CHEETAH material database to develop more accurate equations of state for gaseous intermediates and products. Finally, it was necessary to improve the implicit mechanics module in ALE3D to more naturally handle the long time scales associated with thermal cook-off. The application of the resulting framework to the analysis of the Scaled Thermal Explosion (STEX) experiments will be discussed.« less

Numerical simulation study on thermal response of PBX 9501 to low velocity impact

NASA Astrophysics Data System (ADS)

Lou, Jianfeng; Zhou, Tingting; Zhang, Yangeng; Zhang, Xiaoli

2017-01-01

Impact sensitivity of solid high explosives, an important index in evaluating the safety and performance of explosives, is an important concern in handling, storage, and shipping procedures. It is a great threat for either bare dynamite or shell charge when subjected to low velocity impact involved in traffic accidents or charge piece drops. The Steven test is an effective tool to study the relative sensitivity of various explosives. In this paper, we built the numerical simulation method involving mechanical, thermo and chemical properties of Steven test based on the thermo-mechanical coupled material model. In the model, the stress-strain relationship is described by dynamic plasticity model, the thermal effect of the explosive induced by impact is depicted by isotropic thermal material model, the chemical reaction of explosives is described by Arrhenius reaction rate law, and the effects of heating and melting on mechanical properties and thermal properties of materials are also taken into account. Specific to the standard Steven test, the thermal and mechanical response rules of PBX 9501 at various impact velocities were numerically analyzed, and the threshold velocity of explosive initiation was obtained, which is in good agreement with experimental results. In addition, the effect of confine condition of test device to the threshold velocity was explored.

Minutes of the 23rd Eplosives Safety Seminar, volume 2

NASA Astrophysics Data System (ADS)

1988-08-01

Some areas of discussion at this seminar were: Hazards and risks of the disposal of chemical munitions using a cryogenic process; Special equipment for demilitarization of lethal chemical agent filled munitions; explosive containment room (ECR) repair Johnston Atoll chemical agent disposal system; Sympathetic detonation testing; Blast loads, external and internal; Structural reponse testing of walls, doors, and valves; Underground explosion effects, external airblast; Explosives shipping, transportation safety and port licensing; Explosive safety management; Underground explosion effects, model test and soil rock effects; Chemical risk and protection of workers; and Full scale explosives storage test.

Symmetrical Windowing for Quantum States in Quasi-Classical Trajectory Simulations

NASA Astrophysics Data System (ADS)

Cotton, Stephen Joshua

An approach has been developed for extracting approximate quantum state-to-state information from classical trajectory simulations which "quantizes" symmetrically both the initial and final classical actions associated with the degrees of freedom of interest using quantum number bins (or "window functions") which are significantly narrower than unit-width. This approach thus imposes a more stringent quantization condition on classical trajectory simulations than has been traditionally employed, while doing so in a manner that is time-symmetric and microscopically reversible. To demonstrate this "symmetric quasi-classical" (SQC) approach for a simple real system, collinear H + H2 reactive scattering calculations were performed [S.J. Cotton and W.H. Miller, J. Phys. Chem. A 117, 7190 (2013)] with SQC-quantization applied to the H 2 vibrational degree of freedom (DOF). It was seen that the use of window functions of approximately 1/2-unit width led to calculated reaction probabilities in very good agreement with quantum mechanical results over the threshold energy region, representing a significant improvement over what is obtained using the traditional quasi-classical procedure. The SQC approach was then applied [S.J. Cotton and W.H. Miller, J. Chem. Phys. 139, 234112 (2013)] to the much more interesting and challenging problem of incorporating non-adiabatic effects into what would otherwise be standard classical trajectory simulations. To do this, the classical Meyer-Miller (MM) Hamiltonian was used to model the electronic DOFs, with SQC-quantization applied to the classical "electronic" actions of the MM model---representing the occupations of the electronic states---in order to extract the electronic state population dynamics. It was demonstrated that if one ties the zero-point energy (ZPE) of the electronic DOFs to the SQC windowing function's width parameter this very simple SQC/MM approach is capable of quantitatively reproducing quantum mechanical results for a range of standard benchmark models of electronically non-adiabatic processes, including applications where "quantum" coherence effects are significant. Notably, among these benchmarks was the well-studied "spin-boson" model of condensed phase non-adiabatic dynamics, in both its symmetric and asymmetric forms---the latter of which many classical approaches fail to treat successfully. The SQC/MM approach to the treatment of non-adiabatic dynamics was next applied [S.J. Cotton, K. Igumenshchev, and W.H. Miller, J. Chem. Phys., 141, 084104 (2014)] to several recently proposed models of condensed phase electron transfer (ET) processes. For these problems, a flux-side correlation function framework modified for consistency with the SQC approach was developed for the calculation of thermal ET rate constants, and excellent accuracy was seen over wide ranges of non-adiabatic coupling strength and energetic bias/exothermicity. Significantly, the "inverted regime" in thermal rate constants (with increasing bias) known from Marcus Theory was reproduced quantitatively for these models---representing the successful treatment of another regime that classical approaches generally have difficulty in correctly describing. Relatedly, a model of photoinduced proton coupled electron transfer (PCET) was also addressed, and it was shown that the SQC/MM approach could reasonably model the explicit population dynamics of the photoexcited electron donor and acceptor states over the four parameter regimes considered. The potential utility of the SQC/MM technique lies in its stunning simplicity and the ease by which it may readily be incorporated into "ordinary" molecular dynamics (MD) simulations. In short, a typical MD simulation may be augmented to take non-adiabatic effects into account simply by introducing an auxiliary pair of classical "electronic" action-angle variables for each energetically viable Born-Oppenheimer surface, and time-evolving these auxiliary variables via Hamilton's equations (using the MM electronic Hamiltonian) in the same manner that the other classical variables---i.e., the coordinates of all the nuclei---are evolved forward in time. In a complex molecular system involving many hundreds or thousands of nuclear DOFs, the propagation of these extra "electronic" variables represents a modest increase in computational effort, and yet, the examples presented herein suggest that in many instances the SQC/MM approach will describe the true non-adiabatic quantum dynamics to a reasonable and useful degree of quantitative accuracy.

"Adiabatic-hindered-rotor" treatment of the parahydrogen-water complex.

PubMed

Zeng, Tao; Li, Hui; Le Roy, Robert J; Roy, Pierre-Nicholas

2011-09-07

Inspired by a recent successful adiabatic-hindered-rotor treatment for parahydrogen pH(2) in CO(2)-H(2) complexes [H. Li, P.-N. Roy, and R. J. Le Roy, J. Chem. Phys. 133, 104305 (2010); H. Li, R. J. Le Roy, P.-N. Roy, and A. R. W. McKellar, Phys. Rev. Lett. 105, 133401 (2010)], we apply the same approximation to the more challenging H(2)O-H(2) system. This approximation reduces the dimension of the H(2)O-H(2) potential from 5D to 3D and greatly enhances the computational efficiency. The global minimum of the original 5D potential is missing from the adiabatic 3D potential for reasons based on solution of the hindered-rotor Schrödinger equation of the pH(2). Energies and wave functions of the discrete rovibrational levels of H(2)O-pH(2) complexes obtained from the adiabatic 3D potential are in good agreement with the results from calculations with the full 5D potential. This comparison validates our approximation, although it is a relatively cruder treatment for pH(2)-H(2)O than it is for pH(2)-CO(2). This adiabatic approximation makes large-scale simulations of H(2)O-pH(2) systems possible via a pairwise additive interaction model in which pH(2) is treated as a point-like particle. The poor performance of the diabatically spherical treatment of pH(2) rotation excludes the possibility of approximating pH(2) as a simple sphere in its interaction with H(2)O. © 2011 American Institute of Physics

Dynamics of zonal shear collapse with hydrodynamic electrons

NASA Astrophysics Data System (ADS)

Hajjar, R. J.; Diamond, P. H.; Malkov, M. A.

2018-06-01

This paper presents a theory for the collapse of the edge zonal shear layer, as observed at the density limit at low β. This paper investigates the scaling of the transport and mean profiles with the adiabaticity parameter α, with special emphasizes on fluxes relevant to zonal flow (ZF) generation. We show that the adiabaticity parameter characterizes the strength of production of zonal flows and so determines the state of turbulence. A 1D reduced model that self-consistently describes the spatiotemporal evolution of the mean density n ¯ , the azimuthal flow v¯ y , and the turbulent potential enstrophy ɛ=⟨(n˜ -∇2ϕ˜ ) 2/2 ⟩ —related to fluctuation intensity—is presented. Quasi-linear analysis determines how the particle flux Γn and vorticity flux Π=-χy∇2vy+Πre s scale with α, in both hydrodynamic and adiabatic regimes. As the plasma response passes from adiabatic (α > 1) to hydrodynamic (α < 1), the particle flux Γn is enhanced and the turbulent viscosity χy increases. However, the residual flux Πres—which drives the flow—drops with α. As a result, the mean vorticity gradient ∇2v¯ y=Πre s/χy —representative of the strength of the shear—also drops. The shear layer then collapses and turbulence is enhanced. The collapse is due to a decrease in ZF production, not an increase in damping. A physical picture for the onset of collapse is presented. The findings of this paper are used to motivate an explanation of the phenomenology of low β density limit evolution. A change from adiabatic ( α=kz2vth 2/(|ω|νei)>1 ) to hydrodynamic (α < 1) electron dynamics is associated with the density limit.

Characteristic overpressure-impulse-distance curves for vapour cloud explosions using the TNO Multi-Energy model.

PubMed

Díaz Alonso, Fernando; González Ferradás, Enrique; Sánchez Pérez, Juan Francisco; Miñana Aznar, Agustín; Ruiz Gimeno, José; Martínez Alonso, Jesús

2006-09-21

A number of models have been proposed to calculate overpressure and impulse from accidental industrial explosions. When the blast is produced by ignition of a vapour cloud, the TNO Multi-Energy model is widely used. From the curves given by this model, data are fitted to obtain equations showing the relationship between overpressure, impulse and distance. These equations, referred herein as characteristic curves, can be fitted by means of power equations, which depend on explosion energy and charge strength. Characteristic curves allow the determination of overpressure and impulse at each distance.

An Integrated Development Environment for Adiabatic Quantum Programming

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

Humble, Travis S; McCaskey, Alex; Bennink, Ryan S

2014-01-01

Adiabatic quantum computing is a promising route to the computational power afforded by quantum information processing. The recent availability of adiabatic hardware raises the question of how well quantum programs perform. Benchmarking behavior is challenging since the multiple steps to synthesize an adiabatic quantum program are highly tunable. We present an adiabatic quantum programming environment called JADE that provides control over all the steps taken during program development. JADE captures the workflow needed to rigorously benchmark performance while also allowing a variety of problem types, programming techniques, and processor configurations. We have also integrated JADE with a quantum simulation enginemore » that enables program profiling using numerical calculation. The computational engine supports plug-ins for simulation methodologies tailored to various metrics and computing resources. We present the design, integration, and deployment of JADE and discuss its use for benchmarking adiabatic quantum programs.« less

Quantum adiabatic computation with a constant gap is not useful in one dimension.

PubMed

Hastings, M B

2009-07-31

We show that it is possible to use a classical computer to efficiently simulate the adiabatic evolution of a quantum system in one dimension with a constant spectral gap, starting the adiabatic evolution from a known initial product state. The proof relies on a recently proven area law for such systems, implying the existence of a good matrix product representation of the ground state, combined with an appropriate algorithm to update the matrix product state as the Hamiltonian is changed. This implies that adiabatic evolution with such Hamiltonians is not useful for universal quantum computation. Therefore, adiabatic algorithms which are useful for universal quantum computation either require a spectral gap tending to zero or need to be implemented in more than one dimension (we leave open the question of the computational power of adiabatic simulation with a constant gap in more than one dimension).

Quantum and classical dynamics in adiabatic computation

NASA Astrophysics Data System (ADS)

Crowley, P. J. D.; Äńurić, T.; Vinci, W.; Warburton, P. A.; Green, A. G.

2014-10-01

Adiabatic transport provides a powerful way to manipulate quantum states. By preparing a system in a readily initialized state and then slowly changing its Hamiltonian, one may achieve quantum states that would otherwise be inaccessible. Moreover, a judicious choice of final Hamiltonian whose ground state encodes the solution to a problem allows adiabatic transport to be used for universal quantum computation. However, the dephasing effects of the environment limit the quantum correlations that an open system can support and degrade the power of such adiabatic computation. We quantify this effect by allowing the system to evolve over a restricted set of quantum states, providing a link between physically inspired classical optimization algorithms and quantum adiabatic optimization. This perspective allows us to develop benchmarks to bound the quantum correlations harnessed by an adiabatic computation. We apply these to the D-Wave Vesuvius machine with revealing—though inconclusive—results.

Time-Dependent Moment Tensors of the First Four Source Physics Experiments (SPE) Explosions

NASA Astrophysics Data System (ADS)

Yang, X.

2015-12-01

We use mainly vertical-component geophone data within 2 km from the epicenter to invert for time-dependent moment tensors of the first four SPE explosions: SPE-1, SPE-2, SPE-3 and SPE-4Prime. We employ a one-dimensional (1D) velocity model developed from P- and Rg-wave travel times for Green's function calculations. The attenuation structure of the model is developed from P- and Rg-wave amplitudes. We select data for the inversion based on the criterion that they show consistent travel times and amplitude behavior as those predicted by the 1D model. Due to limited azimuthal coverage of the sources and the mostly vertical-component-only nature of the dataset, only long-period, diagonal components of the moment tensors are well constrained. Nevertheless, the moment tensors, particularly their isotropic components, provide reasonable estimates of the long-period source amplitudes as well as estimates of corner frequencies, albeit with larger uncertainties. The estimated corner frequencies, however, are consistent with estimates from ratios of seismogram spectra from different explosions. These long-period source amplitudes and corner frequencies cannot be fit by classical P-wave explosion source models. The results motivate the development of new P-wave source models suitable for these chemical explosions. To that end, we fit inverted moment-tensor spectra by modifying the classical explosion model using regressions of estimated source parameters. Although the number of data points used in the regression is small, the approach suggests a way for the new-model development when more data are collected.

Revival of the fittest: exploding core-collapse supernovae from 12 to 25 M⊙

NASA Astrophysics Data System (ADS)

Vartanyan, David; Burrows, Adam; Radice, David; Skinner, M. Aaron; Dolence, Joshua

2018-07-01

We present results of 2D axisymmetric core-collapse supernova simulations, employing the FORNAX code, of nine progenitor models spanning 12 to 25 M⊙. Four of the models explode with inelastic scattering off electrons and neutrons as well as the many-body correction to neutrino-nucleon scattering opacities. We show that these four models feature sharp Si-O interfaces in their density profiles, and that the corresponding dip in density reduces the accretion rate around the stalled shock and prompts explosion. The non-exploding models lack such a steep feature, highlighting the Si-O interface as one key to explosion. Furthermore, we show that all of the non-exploding models can be nudged to explosion with modest changes to macrophysical inputs, including moderate rotation and perturbations to infall velocities, as well as to microphysical inputs, including reasonable changes to neutrino-nucleon interaction rates, suggesting that all the models are perhaps close to criticality. Exploding models have energies of a few × 1050 erg at the end of our simulation, and are rising, emphasizing the need to continue these simulations over larger grids and for longer times to reproduce the energies seen in nature. Morphology of the explosion contributes to the explosion energy, with more isotropic ejecta producing larger explosion energies. We do not find evidence for the Lepton-number Emission Self-sustained Asymmetry. Finally, we look at proto-neutron star (PNS) properties and explore the role of dimension in our simulations. We find that convection in the PNS produces larger PNS radii as well as greater `νμ' luminosities in 2D compared to 1D.

Revival of the Fittest: Exploding Core-Collapse Supernovae from 12 to 25 M⊙

NASA Astrophysics Data System (ADS)

Vartanyan, David; Burrows, Adam; Radice, David; Skinner, M. Aaron; Dolence, Joshua

2018-03-01

We present results of 2D axisymmetric core-collapse supernova simulations, employing the FORNAX code, of nine progenitor models spanning 12 to 25 M⊙. Four of the models explode with inelastic scattering off electrons and neutrons as well as the many-body correction to neutrino-nucleon scattering opacities. We show that these four models feature sharp Si-O interfaces in their density profiles, and that the corresponding dip in density reduces the accretion rate around the stalled shock and prompts explosion. The non-exploding models lack such a steep feature, highlighting the Si-O interface as one key to explosion. Furthermore, we show that all of the non-exploding models can be nudged to explosion with modest changes to macrophysical inputs, including moderate rotation and perturbations to infall velocities, as well as to microphysical inputs, including reasonable changes to neutrino-nucleon interaction rates, suggesting that all the models are perhaps close to criticality. Exploding models have energies of few × 1050 ergs at the end of our simulation, and are rising, emphasizing the need to continue these simulations over larger grids and for longer times to reproduce the energies seen in Nature. Morphology of the explosion contributes to the explosion energy, with more isotropic ejecta producing larger explosion energies. We do not find evidence for the Lepton-number Emission Self-Sustained Asymmetry. Finally, we look at PNS properties and explore the role of dimension in our simulations. We find that convection in the proto-neutron star (PNS) produces larger PNS radii as well as greater "νμ" luminosities in 2D compared to 1D.

Comparative techno-economic analysis of steam explosion, dilute sulfuric acid, ammonia fiber explosion and biological pretreatments of corn stover.

PubMed

Baral, Nawa Raj; Shah, Ajay

2017-05-01

Pretreatment is required to destroy recalcitrant structure of lignocelluloses and then transform into fermentable sugars. This study assessed techno-economics of steam explosion, dilute sulfuric acid, ammonia fiber explosion and biological pretreatments, and identified bottlenecks and operational targets for process improvement. Techno-economic models of these pretreatment processes for a cellulosic biorefinery of 113.5 million liters butanol per year excluding fermentation and wastewater treatment sections were developed using a modelling software-SuperPro Designer. Experimental data of the selected pretreatment processes based on corn stover were gathered from recent publications, and used for this analysis. Estimated sugar production costs ($/kg) via steam explosion, dilute sulfuric acid, ammonia fiber explosion and biological methods were 0.43, 0.42, 0.65 and 1.41, respectively. The results suggest steam explosion and sulfuric acid pretreatment methods might be good alternatives at present state of technology and other pretreatment methods require research and development efforts to be competitive with these pretreatment methods. Copyright © 2017 Elsevier Ltd. All rights reserved.

A theoretical study of non-adiabatic surface effects for a model in the NTF cryogenic wind tunnel

NASA Technical Reports Server (NTRS)

Macha, J. M.; Pare, L. A.; Landrum, D. B.

1985-01-01

A theoretical analysis was made of the severity and effect of nonadiabatic surface conditions for a model in the NTF cryogenic wind tunnel. The nonadiabatic condition arises from heaters that are used to maintain a constant thermal environment for instrumentation internal to the model. The analysis was made for several axi-symmetric representations of a fuselage cavity, using a finite element heat conduction code. Potential flow and boundary layer codes were used to calculate the convection condition for the exterior surface of the model. The results of the steady state analysis show that it is possible to maintain the surface temperature very near the adiabatic value, with the judicious use of insulating material. Even for the most severe nonadiabatic condition studied, the effects on skin friction drag and displacement thickness were only marginally significant. The thermal analysis also provided an estimate of the power required to maintain a specified cavity temperature.

Productivity of "collisions generate heat" for reconciling an energy model with mechanistic reasoning: A case study

NASA Astrophysics Data System (ADS)

Scherr, Rachel E.; Robertson, Amy D.

2015-06-01

We observe teachers in professional development courses about energy constructing mechanistic accounts of energy transformations. We analyze a case in which teachers investigating adiabatic compression develop a model of the transformation of kinetic energy to thermal energy. Among their ideas is the idea that thermal energy is generated as a byproduct of individual particle collisions, which is represented in science education research literature as an obstacle to learning. We demonstrate that in this instructional context, the idea that individual particle collisions generate thermal energy is not an obstacle to learning, but instead is productive: it initiates intellectual progress. Specifically, this idea initiates the reconciliation of the teachers' energy model with mechanistic reasoning about adiabatic compression, and leads to a canonically correct model of the transformation of kinetic energy into thermal energy. We claim that the idea's productivity is influenced by features of our particular instructional context, including the instructional goals of the course, the culture of collaborative sense making, and the use of certain representations of energy.

Numerical investigation of frequency spectrum in the Hasegawa-Wakatani model

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

Kim, Juhyung; Terry, P. W.

2013-10-15

The wavenumber-frequency spectrum of the two-dimensional Hasegawa-Wakatani model is investigated in the hydrodynamic, intermediate, and adiabatic regimes. A nonlinear frequency and a line width related to energy transfer properties provide a measure of the average frequency and spectral broadening, respectively. In the adiabatic regime, narrow spectra, typical of wave turbulence, are observed with a nonlinear frequency shift in the electron drift direction. In the hydrodynamic regime, broad spectra with almost zero nonlinear frequencies are observed. Nonlinear frequency shifts are shown to be related to nonlinear energy transfer by vorticity advection through the high frequency region of the spectrum. In themore » intermediate regime, the nonlinear frequency shift for density fluctuations is observed to be weaker than that of electrostatic potential fluctuations. The weaker frequency shift of the density fluctuations is due to nonlinear density advection, which favors energy transfer in the low frequency range. Both the nonlinear frequency and the spectral width increase with poloidal wavenumber k{sub y}. In addition, in the adiabatic regime where the nonlinear interactions manifest themselves in the nonlinear frequency shift, the cross-phase between the density and potential fluctuations is observed to match a linear relation, but only if the linear response of the linearly stable eigenmode branch is included. Implications of these numerical observations are discussed.« less

Adiabatic-connection fluctuation-dissipation DFT for the structural properties of solids—The renormalized ALDA and electron gas kernels

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

Patrick, Christopher E., E-mail: chripa@fysik.dtu.dk; Thygesen, Kristian S., E-mail: thygesen@fysik.dtu.dk

2015-09-14

We present calculations of the correlation energies of crystalline solids and isolated systems within the adiabatic-connection fluctuation-dissipation formulation of density-functional theory. We perform a quantitative comparison of a set of model exchange-correlation kernels originally derived for the homogeneous electron gas (HEG), including the recently introduced renormalized adiabatic local-density approximation (rALDA) and also kernels which (a) satisfy known exact limits of the HEG, (b) carry a frequency dependence, or (c) display a 1/k{sup 2} divergence for small wavevectors. After generalizing the kernels to inhomogeneous systems through a reciprocal-space averaging procedure, we calculate the lattice constants and bulk moduli of a testmore » set of 10 solids consisting of tetrahedrally bonded semiconductors (C, Si, SiC), ionic compounds (MgO, LiCl, LiF), and metals (Al, Na, Cu, Pd). We also consider the atomization energy of the H{sub 2} molecule. We compare the results calculated with different kernels to those obtained from the random-phase approximation (RPA) and to experimental measurements. We demonstrate that the model kernels correct the RPA’s tendency to overestimate the magnitude of the correlation energy whilst maintaining a high-accuracy description of structural properties.« less

Thermodynamical stability of FRW models with quintessence

NASA Astrophysics Data System (ADS)

Sharif, M.; Ashraf, Sara

2018-03-01

In this paper, we study the thermodynamic stability of quintessence in the background of homogeneous and isotropic universe model. For the evolutionary picture, we consider two different forms of potentials and investigate the behavior of different physical parameters. We conclude that the quintessence model expands adiabatically and this expansion is thermodynamically stable for both potentials with suitable model parameters.

Explosion Source Model Development in Support of Seismic Monitoring Technologies: New Models Accounting for Shock-Induced Tensile Failure

DTIC Science & Technology

2008-09-01

values for nuclear explosions at the Semipalatinsk Test Site (STS) will be inferred in the same way they were for NTS. Comparisons between K values...K > ~3 in Poisson media. Most Nevada Test Site (NTS) observations support ~1 < K < 3, and as such the new model predicts lower Ms compared to the...explosions at the two test sites and for two different containment rules are summarized in Table 1 below. F1 is found to be positive for NTS, as we

Speeding up adiabatic population transfer in a Josephson qutrit via counter-diabatic driving

NASA Astrophysics Data System (ADS)

Feng, Zhi-Bo; Lu, Xiao-Jing; Li, M.; Yan, Run-Ying; Zhou, Yun-Qing

2017-12-01

We propose a theoretical scheme to speed up adiabatic population transfer in a Josephson artificial qutrit by transitionless quantum driving. At a magic working point, an effective three-level subsystem can be chosen to constitute our qutrit. With Stokes and pump driving, adiabatic population transfer can be achieved in the qutrit by means of stimulated Raman adiabatic passage. Assisted by a counter-diabatic driving, the adiabatic population transfer can be sped up drastically with accessible parameters. Moreover, the accelerated operation is flexibly reversible and highly robust against decoherence effects. Thanks to these distinctive advantages, the present protocol could offer a promising avenue for optimal coherent operations in Josephson quantum circuits.

Floquet protocols of adiabatic state flips and reallocation of exceptional points

NASA Astrophysics Data System (ADS)

Halpern, Dashiell; Li, Huanan; Kottos, Tsampikos

2018-04-01

We introduce the notion of adiabatic state flip of a Floquet Hamiltonian associated with a non-Hermitian system that it is subjected to two driving schemes with clear separation of time scales. The fast (Floquet) modulation scheme is utilized to reallocate the exceptional points in the parameter space of the system and redefine the topological features of an adiabatic cyclic modulation associated with the slow driving scheme. Such topological reorganization can be used in order to control the adiabatic transport between two eigenmodes of the Floquet Hamiltonian. The proposed scheme provides a degree of reconfigurability of adiabatic state transfer which can find applications in system control in photonics and microwave domains.

Adiabatic shear mechanisms for the hard cutting process

NASA Astrophysics Data System (ADS)

Yue, Caixu; Wang, Bo; Liu, Xianli; Feng, Huize; Cai, Chunbin

2015-05-01

The most important consequence of adiabatic shear phenomenon is formation of sawtooth chip. Lots of scholars focused on the formation mechanism of sawtooth, and the research often depended on experimental approach. For the present, the mechanism of sawtooth chip formation still remains some ambiguous aspects. This study develops a combined numerical and experimental approach to get deeper understanding of sawtooth chip formation mechanism for Polycrystalline Cubic Boron Nitride (PCBN) tools orthogonal cutting hard steel GCr15. By adopting the Johnson-Cook material constitutive equations, the FEM simulation model established in this research effectively overcomes serious element distortions and cell singularity in high strain domain caused by large material deformation, and the adiabatic shear phenomenon is simulated successfully. Both the formation mechanism and process of sawtooth are simulated. Also, the change features regarding the cutting force as well as its effects on temperature are studied. More specifically, the contact of sawtooth formation frequency with cutting force fluctuation frequency is established. The cutting force and effect of cutting temperature on mechanism of adiabatic shear are investigated. Furthermore, the effects of the cutting condition on sawtooth chip formation are researched. The researching results show that cutting feed has the most important effect on sawtooth chip formation compared with cutting depth and speed. This research contributes a better understanding of mechanism, feature of chip formation in hard turning process, and supplies theoretical basis for the optimization of hard cutting process parameters.

High temperature and dynamic testing of AHSS for an analytical description of the adiabatic cutting process

NASA Astrophysics Data System (ADS)

Winter, S.; Schmitz, F.; Clausmeyer, T.; Tekkaya, A. E.; F-X Wagner, M.

2017-03-01

In the automotive industry, advanced high strength steels (AHSS) are widely used as sheet part components to reduce weight, even though this leads to several challenges. The demand for high-quality shear cutting surfaces that do not require reworking can be fulfilled by adiabatic shear cutting: High strain rates and local temperatures lead to the formation of adiabatic shear bands (ASB). While this process is well suited to produce AHSS parts with excellent cutting surface quality, a fundamental understanding of the process is still missing today. In this study, compression tests in a Split-Hopkinson Pressure Bar with an initial strain rate of 1000 s-1 were performed in a temperature range between 200 °C and 1000 °C. The experimental results show that high strength steels with nearly the same mechanical properties at RT may possess a considerably different behavior at higher temperatures. The resulting microstructures after testing at different temperatures were analyzed by optical microscopy. The thermo-mechanical material behavior was then considered in an analytical model. To predict the local temperature increase that occurs during the adiabatic blanking process, experimentally determined flow curves were used. Furthermore, the influence of temperature evolution with respect to phase transformation is discussed. This study contributes to a more complete understanding of the relevant microstructural and thermo-mechanical mechanisms leading to the evolution of ASB during cutting of AHSS.

Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics

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

White, Alexander J.; Center for Nonlinear Studies; Gorshkov, Vyacheslav N.

2014-11-14

Modeling the dynamics of photophysical and (photo)chemical reactions in extended molecular systems is a new frontier for quantum chemistry. Many dynamical phenomena, such as intersystem crossing, non-radiative relaxation, and charge and energy transfer, require a non-adiabatic description which incorporate transitions between electronic states. Additionally, these dynamics are often highly sensitive to quantum coherences and interference effects. Several methods exist to simulate non-adiabatic dynamics; however, they are typically either too expensive to be applied to large molecular systems (10's-100's of atoms), or they are based on ad hoc schemes which may include severe approximations due to inconsistencies in classical and quantummore » mechanics. We present, in detail, an algorithm based on Monte Carlo sampling of the semiclassical time-dependent wavefunction that involves running simple surface hopping dynamics, followed by a post-processing step which adds little cost. The method requires only a few quantities from quantum chemistry calculations, can systematically be improved, and provides excellent agreement with exact quantum mechanical results. Here we show excellent agreement with exact solutions for scattering results of standard test problems. Additionally, we find that convergence of the wavefunction is controlled by complex valued phase factors, the size of the non-adiabatic coupling region, and the choice of sampling function. These results help in determining the range of applicability of the method, and provide a starting point for further improvement.« less

Hydrodynamical Evolution of Merging Carbon-Oxygen White Dwarfs: Their Pre-supernova Structure and Observational Counterparts

NASA Astrophysics Data System (ADS)

Tanikawa, Ataru; Nakasato, Naohito; Sato, Yushi; Nomoto, Ken'ichi; Maeda, Keiichi; Hachisu, Izumi

2015-07-01

We perform smoothed particle hydrodynamics simulations for merging binary carbon-oxygen (CO) WDs with masses of 1.1 and 1.0 {M}⊙ , until the merger remnant reaches a dynamically steady state. Using these results, we assess whether the binary could induce a thermonuclear explosion, and whether the explosion could be observed as a type Ia supernova (SN Ia). We investigate three explosion mechanisms: a helium-ignition following the dynamical merger (“helium-ignited violent merger model”), a carbon-ignition (“carbon-ignited violent merger model”), and an explosion following the formation of the Chandrasekhar mass WD (“Chandrasekhar mass model”). An explosion of the helium-ignited violent merger model is possible, while we predict that the resulting SN ejecta are highly asymmetric since its companion star is fully intact at the time of the explosion. The carbon-ignited violent merger model can also lead to an explosion. However, the envelope of the exploding WD spreads out to ˜ 0.1 {R}⊙ ; it is much larger than that inferred for SN 2011fe (\\lt 0.1 {R}⊙ ) while much smaller than that for SN 2014J (˜ 1 {R}⊙ ). For the particular combination of the WD masses studied in this work, the Chandrasekhar mass model does not successfully lead to an SN Ia explosion. Besides these assessments, we investigate the evolution of unbound materials ejected through the merging process (“merger ejecta”), assuming a case where the SN Ia explosion is not triggered by the helium- or carbon-ignition during the merger. The merger ejecta interact with the surrounding interstellar medium and form a shell. The shell has a bolometric luminosity of more than 2× {10}35 {erg} {{{s}}}-1, lasting for ˜ 2× {10}4 years. If this is the case, the Milky Way should harbor about 10 such shells at any given time. The detection of the shell(s) can therefore rule out the helium-ignited and carbon-ignited violent merger models as major paths to SN Ia explosions.

An Improved Shock Model for Bare and Covered Explosives

NASA Astrophysics Data System (ADS)

Scholtes, Gert; Bouma, Richard

2017-06-01

TNO developed a toolbox to estimate the probability of a violent event on a ship or other platform, when the munition bunker is hit by e.g. a bullet or fragment from a missile attack. To obtain the proper statistical output, several millions of calculations are needed to obtain a reliable estimate. Because millions of different scenarios have to be calculated, hydrocode calculations cannot be used for this type of application, but a fast and good engineering solutions is needed. At this moment the Haskins and Cook-model is used for this purpose. To obtain a better estimate for covered explosives and munitions, TNO has developed a new model which is a combination of the shock wave model at high pressure, as described by Haskins and Cook, in combination with the expanding shock wave model of Green. This combined model gives a better fit with the experimental values for explosives response calculations, using the same critical energy fluence values for covered as well as for bare explosives. In this paper the theory is explained and results of the calculations for several bare and covered explosives will be presented. To show this, the results will be compared with the experimental values from literature for composition B, Composition B-3 and PBX-9404.

Theoretical investigations on the structures and properties of CL-20/TNT cocrystal and its defective models by molecular dynamics simulation.

PubMed

Hang, Gui-Yun; Yu, Wen-Li; Wang, Tao; Wang, Jin-Tao

2018-06-09

"Perfect" and defective models of CL-20/TNT cocrystal explosive were established. Molecular dynamics methods were introduced to determine the structures and predict the comprehensive performances, including stabilities, sensitivity, energy density and mechanical properties, of the different models. The influences of crystal defects on the properties of these explosives were investigated and evaluated. The results show that, compared with the "perfect" model, the rigidity and toughness of defective models are decreased, while the ductility, tenacity and plastic properties are enhanced. The binding energies, interaction energy of the trigger bond, and the cohesive energy density of defective crystals declined, thus implying that stabilities are weakened, the explosive molecule is activated, trigger bond strength is diminished and safety is worsened. Detonation performance showed that, owing to the influence of crystal defects, the density is lessened, detonation pressure and detonation velocity are also declined, i.e., the power of defective explosive is decreased. In a word, the crystal defects may have a favorable effect on the mechanical properties, but have a disadvantageous influence on sensitivity, stability and energy density of CL-20/TNT cocrystal explosive. The results could provide theoretical guidance and practical instructions to estimate the properties of defective crystal models.

Unified Dark Matter scalar field models with fast transition

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

Bertacca, Daniele; Bruni, Marco; Piattella, Oliver F.

2011-02-01

We investigate the general properties of Unified Dark Matter (UDM) scalar field models with Lagrangians with a non-canonical kinetic term, looking specifically for models that can produce a fast transition between an early Einstein-de Sitter CDM-like era and a later Dark Energy like phase, similarly to the barotropic fluid UDM models in JCAP01(2010)014. However, while the background evolution can be very similar in the two cases, the perturbations are naturally adiabatic in fluid models, while in the scalar field case they are necessarily non-adiabatic. The new approach to building UDM Lagrangians proposed here allows to escape the common problem ofmore » the fine-tuning of the parameters which plague many UDM models. We analyse the properties of perturbations in our model, focusing on the the evolution of the effective speed of sound and that of the Jeans length. With this insight, we can set theoretical constraints on the parameters of the model, predicting sufficient conditions for the model to be viable. An interesting feature of our models is that what can be interpreted as w{sub DE} can be < −1 without violating the null energy conditions.« less

Exact Time-Dependent Exchange-Correlation Potential in Electron Scattering Processes

NASA Astrophysics Data System (ADS)

Suzuki, Yasumitsu; Lacombe, Lionel; Watanabe, Kazuyuki; Maitra, Neepa T.

2017-12-01

We identify peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory that are crucial for time-resolved electron scattering in a model one-dimensional system. These structures are completely missed by adiabatic approximations that, consequently, significantly underestimate the scattering probability. A recently proposed nonadiabatic approximation is shown to correctly capture the approach of the electron to the target when the initial Kohn-Sham state is chosen judiciously, and it is more accurate than standard adiabatic functionals but ultimately fails to accurately capture reflection. These results may explain the underestimation of scattering probabilities in some recent studies on molecules and surfaces.

Cosmological consequences of grand unified theories on density fluctuations

NASA Astrophysics Data System (ADS)

Lindley, D.

1981-05-01

Recent investigations into the cosmological consequences of grand unified theories (GUTs) of elementary particles have shown that the observed matter-antimatter asymmetry of the Universe can be explained without recourse to the hypothesis of specific initial conditions. It is shown here that the origin of inhomogeneities in the matter distribution, which are thought to be responsible for the later formation of galaxies, cannot be explained by a simple addition of density fluctuations to the standard model. The appearance of these fluctuations, after the epoch when baryon number is fixed, is almost purely adiabatic, any departure from adiabaticity falling off in inverse proportion to the mass of the perturbation.

Adiabatic dynamics of one-dimensional classical Hamiltonian dissipative systems

NASA Astrophysics Data System (ADS)

Pritula, G. M.; Petrenko, E. V.; Usatenko, O. V.

2018-02-01

A linearized plane pendulum with the slowly varying mass and length of string and the suspension point moving at a slowly varying speed is presented as an example of a simple 1D mechanical system described by the generalized harmonic oscillator equation, which is a basic model in discussion of the adiabatic dynamics and geometric phase. The expression for the pendulum geometric phase is obtained by three different methods. The pendulum is shown to be canonically equivalent to the damped harmonic oscillator. This supports the mathematical conclusion, not widely accepted in physical community, of no difference between the dissipative and Hamiltonian 1D systems.

Symmetrical windowing for quantum states in quasi-classical trajectory simulations: Application to electronically non-adiabatic processes

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

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

A recently described symmetrical windowing methodology [S. J. Cotton and W. H. Miller, J. Phys. Chem. A 117, 7190 (2013)] for quasi-classical trajectory simulations is applied here to the Meyer-Miller [H.-D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979)] model for the electronic degrees of freedom in electronically non-adiabatic dynamics. Results generated using this classical approach are observed to be in very good agreement with accurate quantum mechanical results for a variety of test applications, including problems where coherence effects are significant such as the challenging asymmetric spin-boson system.

Modeling and simulation of explosion effectiveness as a function of blast and crowd characteristics

NASA Astrophysics Data System (ADS)

Usmani, Zeeshan-Ul-Hassan

Suicide bombing has become one of the most lethal and favorite modus operandi of terrorist organizations around the world. On average, there is a suicide bombing attack every six days somewhere in the world. While various attempts have been made to assess the impact of explosions on structures and military personnel, little has been done on modeling the impact of a blast wave on a crowd in civilian settings. The assessment of an explosion's effect on a crowd can lead to better management of disasters, triage of patients, locating blast victims under the debris, development of protective gear, and safe distance recommendations to reduce the casualties. The overall goal of this work is to predict the magnitude of injuries and lethality on humans from a blast-wave with various explosive and crowd characteristics, and to compare, contrast, and analyze the performance of explosive and injury models against the real-life data of suicide bombing incidents. This thesis introduces BlastSim---a physics based stationary multi-agent simulation platform to model and simulate a suicide bombing event. The agents are constrained by the physical characteristics and mechanics of the blast wave. The BlastSim is programmed to test, analyze, and validate the results of different model combinations under various conditions with different sets of parameters, such as the crowd and explosive characteristics, blockage and human shields, fragmentation and the bomber's position, in 2-dimensional and 3-dimensional environments. The suicide bombing event can be re-created for forensic analysis. The proposed model combinations show a significant performance---the Harold Brode explosive model with Catherine Lee injury model using the blockage stands out consistently to be the best with an overall cumulative accuracy of 87.6%. When comparing against actual data, overall, prediction accuracy can be increased by 71% using this model combination. The J. Clutter with Reflection explosive model using Charles Stewart injury model with blockage works best for confined-space incidents with an accuracy of 80%. Blockage in a crowd can increase the accuracy by 17% for all models. Line-of-sight with an attacker, rushing towards an exit, announcing the threat of a suicide bombing, sitting inside a vehicle or building, and standing closer to a wall or a rigid surface were found to be the most lethal choices both during and after an attack. The findings can have implications for emergency response and counter terrorism.

Observational tests of non-adiabatic Chaplygin gas

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

Carneiro, S.; Pigozzo, C., E-mail: saulo.carneiro@pq.cnpq.br, E-mail: cpigozzo@ufba.br

2014-10-01

In a previous paper [1] it was shown that any dark sector model can be mapped into a non-adiabatic fluid formed by two interacting components, one with zero pressure and the other with equation-of-state parameter ω = -1. It was also shown that the latter does not cluster and, hence, the former is identified as the observed clustering matter. This guarantees that the dark matter power spectrum does not suffer from oscillations or instabilities. It applies in particular to the generalised Chaplygin gas, which was shown to be equivalent to interacting models at both background and perturbation levels. In the present papermore » we test the non-adiabatic Chaplygin gas against the Hubble diagram of type Ia supernovae, the position of the first acoustic peak in the anisotropy spectrum of the cosmic microwave background and the linear power spectrum of large scale structures. We consider two different compilations of SNe Ia, namely the Constitution and SDSS samples, both calibrated with the MLCS2k2 fitter, and for the power spectrum we use the 2dFGRS catalogue. The model parameters to be adjusted are the present Hubble parameter, the present matter density and the Chaplygin gas parameter α. The joint analysis best fit gives α ≈ - 0.5, which corresponds to a constant-rate energy flux from dark energy to dark matter, with the dark energy density decaying linearly with the Hubble parameter. The ΛCDM model, equivalent to α = 0, stands outside the 3σ confidence interval.« less

Shallow magma diversions during explosive diatreme-forming eruptions.

PubMed

Le Corvec, Nicolas; Muirhead, James D; White, James D L

2018-04-13

The diversion of magma is an important mechanism that may lead to the relocation of a volcanic vent. Magma diversion is known to occur during explosive volcanic eruptions generating subterranean excavation and remobilization of country and volcanic rocks. However, feedbacks between explosive crater formation and intrusion processes have not been considered previously, despite their importance for understanding evolving hazards during volcanic eruptions. Here, we apply numerical modeling to test the impacts of excavation and subsequent infilling of diatreme structures on stress states and intrusion geometries during the formation of maar-diatreme complexes. Explosive excavation and infilling of diatremes affects local stress states which inhibits magma ascent and drives lateral diversion at various depths, which are expected to promote intra-diatreme explosions, host rock mixing, and vent migration. Our models demonstrate novel mechanisms explaining the generation of saucer-shaped sills, linked with magma diversion and enhanced intra-diatreme explosive fragmentation during maar-diatreme volcanism. Similar mechanisms will occur at other volcanic vents producing crater-forming eruptions.

Shock Initiation Characteristics of an Aluminized DNAN/RDX Melt-Cast Explosive

NASA Astrophysics Data System (ADS)

Cao, Tong-Tang; Zhou, Lin; Zhang, Xiang-Rong; Zhang, Wei; Miao, Fei-Chao

2017-10-01

Shock sensitivity is one of the key parameters for newly developed, 2,4-dinitroanisole (DNAN)-based, melt-cast explosives. For this paper, a series of shock initiation experiments were conducted using a one-dimensional Lagrangian system with a manganin piezoresistive pressure gauge technique to evaluate the shock sensitivity of an aluminized DNAN/cyclotrimethylenetrinitramine (RDX) melt-cast explosive. This study fully investigated the effects of particle size distributions in both RDX and aluminum, as well as the RDX's crystal quality on the shock sensitivity of the aluminized DNAN/RDX melt-cast explosive. Ultimately, the shock sensitivity of the aluminized DNAN/RDX melt-cast explosives increases when the particle size decreases in both RDX and aluminum. Additionally, shock sensitivity increases when the RDX's crystal quality decreases. In order to simulate these effects, an Ignition and Growth (I&G) reactive flow model was calibrated. This calibrated I&G model was able to predict the shock initiation characteristics of the aluminized DNAN/RDX melt-cast explosive.

Explosion-Induced Implosions of Cylindrical Shell Structures

NASA Astrophysics Data System (ADS)

Ikeda, C. M.; Duncan, J. H.

2010-11-01

An experimental study of the explosion-induced implosion of cylindrical shell structures in a high-pressure water environment was performed. The shell structures are filled with air at atmospheric pressure and are placed in a large water-filled pressure vessel. The vessel is then pressurized to various levels P∞=αPc, where Pc is the natural implosion pressure of the model and α is a factor that ranges from 0.1 to 0.9. An explosive is then set off at various standoff distances, d, from the model center line, where d varies from R to 10R and R is the maximum radius of the explosion bubble. High-speed photography (27,000 fps) was used to observe the explosion and resulting shell structure implosion. High-frequency underwater blast sensors recorded dynamic pressure waves at 6 positions. The cylindrical models were made from aluminum (diameter D = 39.1 mm, wall thickness t = 0.89 mm, length L = 240 mm) and brass (D = 16.7 mm, t = 0.36 mm, L=152 mm) tubes. The pressure records are interpreted in light of the high-speed movies. It is found that the implosion is induced by two mechanisms: the shockwave generated by the explosion and the jet formed during the explosion-bubble collapse. Whether an implosion is caused by the shockwave or the jet depends on the maximum bubble diameter and the standoff distance.

Insights from the Source Physics Experiments on P/S Amplitude Ratio Methods of Identifying Explosions in a Background of Earthquakes

NASA Astrophysics Data System (ADS)

Walter, W. R.; Ford, S. R.; Xu, H.; Pasyanos, M. E.; Pyle, M. L.; Matzel, E.; Mellors, R. J.; Hauk, T. F.

2012-12-01

It is well established empirically that regional distance (200-1600 km) amplitude ratios of seismic P-to-S waves at sufficiently high frequencies (~>2 Hz) can identify explosions among a background of natural earthquakes. However the physical basis for the generation of explosion S-waves, and therefore the predictability of this P/S technique as a function of event properties such as size, depth, geology and path, remains incompletely understood. A goal of the Source Physics Experiments (SPE) at the Nevada National Security Site (NNSS, formerly the Nevada Test Site (NTS)) is to improve our physical understanding of the mechanisms of explosion S-wave generation and advance our ability to numerically model and predict them. Current models of explosion P/S values suggest they are frequency dependent with poor performance below the source corner frequencies and good performance above. This leads to expectations that small magnitude explosions might require much higher frequencies (>10 Hz) to identify them. Interestingly the 1-ton chemical source physics explosions SPE2 and SPE3 appear to discriminate well from background earthquakes in the frequency band 6-8 Hz, where P and S signals are visible at the NVAR array located near Mina, NV about 200 km away. NVAR is a primary seismic station in the International Monitoring System (IMS), part of the Comprehensive nuclear-Test-Ban Treaty (CTBT). The NVAR broadband element NV31 is co-located with the LLNL station MNV that recorded many NTS nuclear tests, allowing the comparison. We find the small SPE explosions in granite have similar Pn/Lg values at 6-8 Hz as the past nuclear tests mainly in softer rocks. We are currently examining a number of other stations in addition to NVAR, including the dedicated SPE stations that recorded the SPE explosions at much closer distances with very high sample rates, in order to better understand the observed frequency dependence as compared with the model predictions. We plan to use these observations to improve our explosion models and our ability to understand and predict where P/S methods of identifying explosions work and any circumstances where they may not. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Finite Element Modeling of the Behavior of Armor Materials Under High Strain Rates and Large Strains

NASA Astrophysics Data System (ADS)

Polyzois, Ioannis

For years high strength steels and alloys have been widely used by the military for making armor plates. Advances in technology have led to the development of materials with improved resistance to penetration and deformation. Until recently, the behavior of these materials under high strain rates and large strains has been primarily based on laboratory testing using the Split Hopkinson Pressure Bar apparatus. With the advent of sophisticated computer programs, computer modeling and finite element simulations are being developed to predict the deformation behavior of these metals for a variety of conditions similar to those experienced during combat. In the present investigation, a modified direct impact Split Hopkinson Pressure Bar apparatus was modeled using the finite element software ABAQUS 6.8 for the purpose of simulating high strain rate compression of specimens of three armor materials: maraging steel 300, high hardness armor (HHA), and aluminum alloy 5083. These armor materials, provided by the Canadian Department of National Defence, were tested at the University of Manitoba by others. In this study, the empirical Johnson-Cook visco-plastic and damage models were used to simulate the deformation behavior obtained experimentally. A series of stress-time plots at various projectile impact momenta were produced and verified by comparison with experimental data. The impact momentum parameter was chosen rather than projectile velocity to normalize the initial conditions for each simulation. Phenomena such as the formation of adiabatic shear bands caused by deformation at high strains and strain rates were investigated through simulations. It was found that the Johnson-Cook model can accurately simulate the behavior of body-centered cubic (BCC) metals such as steels. The maximum shear stress was calculated for each simulation at various impact momenta. The finite element model showed that shear failure first occurred in the center of the cylindrical specimen and propagated outwards diagonally towards the front and back edges forming an hourglass pattern. This pattern matched the failure behavior of specimens tested experimentally, which also exhibited failure through the formation of adiabatic shear bands. Adiabatic shear bands are known to lead to a complete shear failure. Both mechanical and thermal mechanisms contribute to the formation of shear bands. However, the finite element simulations did not show the effects of temperature rise within the material, a phenomenon which is known to contribute to thermal instabilities, whereby strain hardening effects are outweighed by thermal softening effects and adiabatic shear bands begin to form. In the simulations, the purely mechanical maximum shear stress failure, nucleating from the center of the specimens, was used as an indicator of the time at which these shear bands begin to form. The time and compressive stress at the moment of thermal instability in experimental results which have shown to form adiabatic shear bands, matched closely to those at which shear failure was first observed in the simulations. Although versatile in modeling BCC behavior, the Johnson-Cook model did not show the correct stress response in face-centered cubic (FCC) metals, such as aluminum 5083, where effects of strain rate and temperature depend on strain. Similar observations have been reported in literature. In the Johnson-Cook model, temperature, strain rate and strain" parameters are independent of each other. To this end, a more physical-based model based on dislocation mechanics, namely the Feng and Bassim constitutive model, would be more appropriate.

A model study of assisted adiabatic transfer of population in the presence of collisional dephasing

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

Masuda, Shumpei, E-mail: shumpei.masuda@aalto.fi; Rice, Stuart A., E-mail: s-rice@uchicago.edu

2015-06-28

Previous studies have demonstrated that when experimental conditions generate non-adiabatic dynamics that prevents highly efficient population transfer between states of an isolated system by stimulated Raman adiabatic passage (STIRAP), the addition of an auxiliary counter-diabatic field (CDF) can restore most or all of that efficiency. This paper examines whether that strategy is also successful in a non-isolated system in which the energies of the states fluctuate, e.g., when a solute is subject to collisions with solvent. We study population transfer in two model systems: (i) the three-state system used by Demirplak and Rice [J. Chem. Phys. 116, 8028 (2002)] andmore » (ii) a four-state system, derived from the simulation studies of Demirplak and Rice [J. Chem. Phys. 125, 194517 (2006)], that mimics HCl in liquid Ar. Simulation studies of the vibrational manifold of HCl in dense fluid Ar show that the collision induced vibrational energy level fluctuations have asymmetric distributions. Representations of these asymmetric energy level fluctuation distributions are used in both models (i) and (ii). We identify three sources of degradation of the efficiency of STIRAP generated selective population transfer in model (ii): too small pulse areas of the laser fields, unwanted interference arising from use of strong fields, and the vibrational detuning. For both models (i) and (ii), our examination of the efficiency of STIRAP + CDF population transfer under the influence of the asymmetric distribution of the vibrational energy fluctuations shows that there is a range of field strengths and pulse durations under which STIRAP + CDF control of population transfer has greater efficiency than does STIRAP generated population transfer.« less

Effects of Adiabatic Heating on the High Strain Rate Deformation of Polymer Matrix Composites

NASA Technical Reports Server (NTRS)

Sorini, Chris; Chattopadhyay, Aditi; Goldberg, Robert K.

2017-01-01

Polymer matrix composites (PMCs) are increasingly being used in aerospace structures that are expected to experience complex dynamic loading conditions throughout their lifetime. As such, a detailed understanding of the high strain rate behavior of the constituents, particularly the strain rate, temperature, and pressure dependent polymer matrix, is paramount. In this paper, preliminary efforts in modeling experimentally observed temperature rises due to plastic deformation in PMCs subjected to dynamic loading are presented. To this end, an existing isothermal viscoplastic polymer constitutive formulation is extended to model adiabatic conditions by incorporating temperature dependent elastic properties and modifying the components of the inelastic strain rate tensor to explicitly depend on temperature. It is demonstrated that the modified polymer constitutive model is capable of capturing strain rate and temperature dependent yield as well as thermal softening associated with the conversion of plastic work to heat at high rates of strain. The modified constitutive model is then embedded within a strength of materials based micromechanics framework to investigate the manifestation of matrix thermal softening, due to the conversion of plastic work to heat, on the high strain rate response of a T700Epon 862 (T700E862) unidirectional composite. Adiabatic model predictions for high strain rate composite longitudinal tensile, transverse tensile, and in-plane shear loading are presented. Results show a substantial deviation from isothermal conditions; significant thermal softening is observed for matrix dominated deformation modes (transverse tension and in-plane shear), highlighting the importance of accounting for the conversion of plastic work to heat in the polymer matrix in the high strain rate analysis of PMC structures.

Recall Performance for Content-Addressable Memory Using Adiabatic Quantum Optimization

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

Imam, Neena; Humble, Travis S.; McCaskey, Alex

A content-addressable memory (CAM) stores key-value associations such that the key is recalled by providing its associated value. While CAM recall is traditionally performed using recurrent neural network models, we show how to solve this problem using adiabatic quantum optimization. Our approach maps the recurrent neural network to a commercially available quantum processing unit by taking advantage of the common underlying Ising spin model. We then assess the accuracy of the quantum processor to store key-value associations by quantifying recall performance against an ensemble of problem sets. We observe that different learning rules from the neural network community influence recallmore » accuracy but performance appears to be limited by potential noise in the processor. The strong connection established between quantum processors and neural network problems supports the growing intersection of these two ideas.« less

OPERATION WIGWAM. Scientific Director’s Summary Report

DTIC Science & Technology

1980-02-01

Base, Albuquerque, N. Mex. 1. Objectives Measure air pressures from the deep underwater nuclear explosion at the surface and at altitudes approaching...arrangpd as to take advan- tap of opportunities to obtain the effects of atomic explosives against ground and air tairgett and to acquire sclentific...atomic explosives in air and water; target response to underwater explosives ; and model scaling techniques. 3. Dr. W. 0. Penney of the Armament Research

Bridging Quantum, Classical and Stochastic Shortcuts to Adiabaticity

NASA Astrophysics Data System (ADS)

Patra, Ayoti

Adiabatic invariants - quantities that are preserved under the slow driving of a system's external parameters - are important in classical mechanics, quantum mechanics and thermodynamics. Adiabatic processes allow a system to be guided to evolve to a desired final state. However, the slow driving of a quantum system makes it vulnerable to environmental decoherence, and for both quantum and classical systems, it is often desirable and time-efficient to speed up a process. Shortcuts to adiabaticity are strategies for preserving adiabatic invariants under rapid driving, typically by means of an auxiliary field that suppresses excitations, otherwise generated during rapid driving. Several theoretical approaches have been developed to construct such shortcuts. In this dissertation we focus on two different approaches, namely counterdiabatic driving and fast-forward driving, which were originally developed for quantum systems. The counterdiabatic approach introduced independently by Dermirplak and Rice [J. Phys. Chem. A, 107:9937, 2003], and Berry [J. Phys. A: Math. Theor., 42:365303, 2009] formally provides an exact expression for the auxiliary Hamiltonian, which however is abstract and difficult to translate into an experimentally implementable form. By contrast, the fast-forward approach developed by Masuda and Nakamura [Proc. R. Soc. A, 466(2116):1135, 2010] provides an auxiliary potential that may be experimentally implementable but generally applies only to ground states. The central theme of this dissertation is that classical shortcuts to adiabaticity can provide useful physical insights and lead to experimentally implementable shortcuts for analogous quantum systems. We start by studying a model system of a tilted piston to provide a proof of principle that quantum shortcuts can successfully be constructed from their classical counterparts. In the remainder of the dissertation, we develop a general approach based on flow-fields which produces simple expressions for auxiliary terms required for both counterdiabatic and fast-forward driving. We demonstrate the applicability of this approach for classical, quantum as well as stochastic systems. We establish strong connections between counterdiabatic and fast-forward approaches, and also between shortcut protocols required for classical, quantum and stochastic systems. In particular, we show how the fast-forward approach can be extended to highly excited states of quantum systems.

Novel developments and applications of the classical adiabatic dynamics technique

NASA Astrophysics Data System (ADS)

Rosso, Lula

The present work aims to apply and develop modern molecular dynamics techniques based on a novel analysis of the classical adiabatic dynamics approach. In the first part of this thesis, Car-Parrinello ab-initio molecular dynamics, a successful technique based on adiabatic dynamics, is used to study the charge transport mechanism in solid ammonium perchlorate (AP) crystal exposed to an ammonia-rich environment. AP is a solid-state proton conductor composed of NH+4 and ClO-4 units that can undergo a decomposition process at high temperature, leading to its use such as rocket fuel. After computing IR spectra and carefully analysing the dynamics at different temperatures, we found that the charge transport mechanism in the pure crystal is dominated by diffusion of the ammonium ions and that the translational diffusion is strongly coupled to rotational diffusion of the two types of ions present. When the pure ammonium-perchlorate crystal is doped with neutral ammonia, another mechanism comes into play, namely, the Grotthuss proton hopping mechanism via short-lived N2H+7 complexes. In the second part of this thesis, adiabatic dynamics will be used to develop an alternative approach to the calculation of free energy profiles along reaction paths. The new method (AFED) is based on the creation of an adiabatic separation between the reaction coordinate subspace and the remaining degrees of freedom within a molecular dynamics run. This is achieved by associating with the reaction coordinate(s) a high temperature and large mass. These conditions allow the activated process to occur while permitting the remaining degrees of freedom to respond adiabatically. In this limit, by applying a formal multiple time scale Liouville operator factorization, it can be rigorously shown that the free energy profile is obtained directly from the probability distribution of the reaction coordinate subspace and, therefore, no postprocessing of the output data is required. The new method is applied to a variety of model problems and extended to calculate conformational surfaces of small peptides and the chemical potential of a Lennard-Jones liquid. The comparison with established methods shows that the new approach calculates free energy profiles with greater ease and efficiency.

Adiabatic shear banding and scaling laws in chip formation with application to cutting of Ti-6Al-4V

NASA Astrophysics Data System (ADS)

Molinari, A.; Soldani, X.; Miguélez, M. H.

2013-11-01

The phenomenon of adiabatic shear banding is analyzed theoretically in the context of metal cutting. The mechanisms of material weakening that are accounted for are (i) thermal softening and (ii) material failure related to a critical value of the accumulated plastic strain. Orthogonal cutting is viewed as a unique configuration where adiabatic shear bands can be experimentally produced under well controlled loading conditions by individually tuning the cutting speed, the feed (uncut chip thickness) and the tool geometry. The role of cutting conditions on adiabatic shear banding and chip serration is investigated by combining finite element calculations and analytical modeling. This leads to the characterization and classification of different regimes of shear banding and the determination of scaling laws which involve dimensionless parameters representative of thermal and inertia effects. The analysis gives new insights into the physical aspects of plastic flow instability in chip formation. The originality with respect to classical works on adiabatic shear banding stems from the various facets of cutting conditions that influence shear banding and from the specific role exercised by convective flow on the evolution of shear bands. Shear bands are generated at the tool tip and propagate towards the chip free surface. They grow within the chip formation region while being convected away by chip flow. It is shown that important changes in the mechanism of shear banding take place when the characteristic time of shear band propagation becomes equal to a characteristic convection time. Application to Ti-6Al-4V titanium are considered and theoretical predictions are compared to available experimental data in a wide range of cutting speeds and feeds. The fundamental knowledge developed in this work is thought to be useful not only for the understanding of metal cutting processes but also, by analogy, to similar problems where convective flow is also interfering with adiabatic shear banding as in impact mechanics and perforation processes. In that perspective, cutting speeds higher than those usually encountered in machining operations have been also explored.

Yield Determination of Underground and Near Surface Explosions

NASA Astrophysics Data System (ADS)

Pasyanos, M.

2015-12-01

As seismic coverage of the earth's surface continues to improve, we are faced with signals from a wide variety of explosions from various sources ranging from oil train and ordnance explosions to military and terrorist attacks, as well as underground nuclear tests. We present on a method for determining the yield of underground and near surface explosions, which should be applicable for many of these. We first review the regional envelope method that was developed for underground explosions (Pasyanos et al., 2012) and more recently modified for near surface explosions (Pasyanos and Ford, 2015). The technique models the waveform envelope templates as a product of source, propagation (geometrical spreading and attenuation), and site terms, while near surface explosions include an additional surface effect. Yields and depths are determined by comparing the observed envelopes to the templates and minimizing the misfit. We then apply the method to nuclear and chemical explosions for a range of yields, depths, and distances. We will review some results from previous work, and show new examples from ordnance explosions in Scandinavia, nuclear explosions in Eurasia, and chemical explosions in Nevada associated with the Source Physics Experiments (SPE).

Phase field model of the nanoscale evolution during the explosive crystallization phenomenon

NASA Astrophysics Data System (ADS)

Lombardo, S. F.; Boninelli, S.; Cristiano, F.; Deretzis, I.; Grimaldi, M. G.; Huet, K.; Napolitani, E.; La Magna, A.

2018-03-01

Explosive crystallization is a well known phenomenon occurring due to the thermodynamic instability of strongly under-cooled liquids, which is particularly relevant in pulsed laser annealing processes of amorphous semiconductor materials due to the globally exothermic amorphous-to-liquid-to-crystal transition pathway. In spite of the assessed understanding of this phenomenon, quantitative predictions of the material kinetics promoted by explosive crystallization are hardly achieved due to the lack of a consistent model able to simulate the concurrent kinetics of the amorphous-liquid and liquid-crystal interfaces. Here, we propose a multi-well phase-field model specifically suited for the simulation of explosive crystallization induced by pulsed laser irradiation in the nanosecond time scale. The numerical implementation of the model is robust despite the discontinuous jumps of the interface speed induced by the phenomenon. The predictive potential of the simulations is demonstrated by means of comparisons of the modelling predictions with experimental data in terms of in situ reflectivity measurements and ex-situ micro-structural and chemical characterization.

Preparation, characterization, non-isothermal reaction kinetics, thermodynamic properties, and safety performances of high nitrogen compound: hydrazine 3-nitro-1,2,4-triazol-5-one complex.

PubMed

Yi, Jian-Hua; Zhao, Feng-Qi; Gao, Hong-Xu; Xu, Si-Yu; Wang, Min-Chang; Hu, Rong-Zu

2008-05-01

A new high nitrogen compound hydrazine 3-nitro-1,2,4-triazol-5-one complex (HNTO) was prepared by the reaction of 3-nitro-1,2,4-triazol-5-one with hydrazine hydrate, and its structure was characterized by means of organic elemental analyzer, FT-IR, XRD, (13)C NMR and (15)N NMR. The non-isothermal reaction kinetics of the main exothermic decomposition reaction of HNTO was investigated by means of DSC. The thermodynamic properties of HNTO were calculated. The results showed that the formation of HNTO is achieved by proton transfer of N(4) atom, and it makes a higher nitrogen content and lower acidity. The reaction mechanism of HNTO is classified as nucleation and growth, and the mechanism function is Avramo-Erofeev equation with n=2/5. The kinetic parameters of the reaction are E(a)=195.29 kJ mol(-1), lg(A (s(-1)))=19.37, respectively. The kinetic equation can be expressed as: d(alpha)/d(t) = 10(18.97)(1 - alpha)[-ln(1 - alpha)](3/5) e(-2.35 x 10(4)/T). The safety performances of HNTO were carried out. The critical temperature of thermal explosion are 464.26 and 474.37 K, the adiabatic time-to-explosion is 262s, the impact sensitivity H(50)=45.7 cm, the friction sensitivity P=20% and the electrostatic spark sensitivity E(50)>5.4J (no ignition). It shows that HNTO has an insensitive nature as RDX and NTO, etc.

Ionization potential and electron affinity for six common explosive compounds by DFT, MP2, and CBS-QB3

DOE PAGES

Cooper, Jason K.; Grant, Christian D.; Zhang, Jin Z.

2012-07-20

The vertical and adiabatic ionization potential (IP V and IP A) and vertical electron affinity (EA V) for six explosives (RDX, HMX, TNT, PETN, HMTD, and TATP) have been studied by ab initio computational methods. The IPV was calculated using MP2 and CBS-QB3 while the IP A was calculated with B3LYP, CAM-B3LYP, ω B97XD, B2PLYP, and MP2. RDX and TNT IP A’s were also reported using CBS -QB3. Excluding results by CBS-QB3, B3LYP and B2PLYPD provided superior and more consistent results for calculating the IP. The EA V were calculated using the same methods however B3LYP performed the worst inmore » this case with MP2 and B2PLYPD predicting values closest to those made by CBS-QB3, which was used a reference due to lacking experimental data. Basis set effects were evaluated using 6- 31+G(d,p), 6-311+G(d,p), and 6-311+(3df,2p) for both IP and EA. 6-31+G(d,p) gave satisfactory results for calculating both IP however 6-311+G(3df,2p) had improved results in calculating the EA. The four nitro containing compounds had exothermic reduction potentials while the peroxides were unfavorable. Additionally, it was seen that RDX, HMX, TATP and HMTD were unstable in their reduced forms. Results are aimed to assist detection and screening methods.« less

Simulation of periodically focused, adiabatic thermal beams

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

Chen, C.; Akylas, T. R.; Barton, T. J.

2012-12-21

Self-consistent particle-in-cell simulations are performed to verify earlier theoretical predictions of adiabatic thermal beams in a periodic solenoidal magnetic focusing field [K.R. Samokhvalova, J. Zhou and C. Chen, Phys. Plasma 14, 103102 (2007); J. Zhou, K.R. Samokhvalova and C. Chen, Phys. Plasma 15, 023102 (2008)]. In particular, results are obtained for adiabatic thermal beams that do not rotate in the Larmor frame. For such beams, the theoretical predictions of the rms beam envelope, the conservations of the rms thermal emittances, the adiabatic equation of state, and the Debye length are verified in the simulations. Furthermore, the adiabatic thermal beam ismore » found be stable in the parameter regime where the simulations are performed.« less

How Will Climate Change Affect Explosive Cyclones in the Extratropics of the Northern Hemisphere?

NASA Astrophysics Data System (ADS)

Seiler, C.; Zwiers, F. W.

2015-12-01

Explosive cyclones are rapidly intensifying low pressure systems generating severe wind speeds and heavy precipitation primarily in coastal and marine environments, such as the March 2014 nor'easter which developed along the United States coastline, with hurricane force winds in eastern Maine and the Maritimes. This study presents the first analysis on how explosive cyclones respond to climate change in the extratropics of the Northern Hemisphere. An objective-feature tracking algorithm is used to identify and track cyclones from 23 CMIP5 climate models for the recent past (1981-1999) and future (2081-2099). Explosive cyclones are projected to shift northwards by about 2.2° latitude on average in the northern Pacific, with fewer and weaker events south of 45°N, and more frequent and stronger events north of this latitude. This shift is correlated with a poleward shift of the jet stream in the inter-model spread (R = 0.56). In the Atlantic, the total number of explosive cyclones is projected to decrease by about 17% when averaging across models, with the largest changes occurring along North America's East Coast. This reduction is correlated with a decline in the lower-tropospheric Eady growth rate (R = 0.51), and is stronger for models with smaller frequency biases (R = -0.65). The same region is also projected to experience a small intensification of explosive cyclones, with larger vorticity values for models that predict stronger increases in the speed of the jet stream (R = 0.58). This strengthening of the jet stream is correlated with an enhanced sea surface temperature gradient in the North Atlantic (R = -0.63). The inverse relationship between model bias and projection, and the role of model resolution are discussed.

Analysis of Ground Motion from An Underground Chemical Explosion

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

Pitarka, Arben; Mellors, Robert J.; Walter, William R.

Here in this paper we investigate the excitation and propagation of far-field seismic waves from the 905 kg trinitrotoluene equivalent underground chemical explosion SPE-3 recorded during the Source Physics Experiment (SPE) at the Nevada National Security Site. The recorded far-field ground motion at short and long distances is characterized by substantial shear-wave energy, and large azimuthal variations in P-and S-wave amplitudes. The shear waves observed on the transverse component of sensors at epicentral distances <50 m suggests they were generated at or very near the source. The relative amplitude of the shear waves grows as the waves propagate away frommore » the source. We analyze and model the shear-wave excitation during the explosion in the 0.01–10 Hz frequency range, at epicentral distances of up to 1 km. We used two simulation techniques. One is based on the empirical isotropic Mueller–Murphy (MM) (Mueller and Murphy, 1971) nuclear explosion source model, and 3D anelastic wave propagation modeling. The second uses a physics-based approach that couples hydrodynamic modeling of the chemical explosion source with anelastic wave propagation modeling. Comparisons with recorded data show the MM source model overestimates the SPE-3 far-field ground motion by an average factor of 4. The observations show that shear waves with substantial high-frequency energy were generated at the source. However, to match the observations additional shear waves from scattering, including surface topography, and heterogeneous shallow structure contributed to the amplification of far-field shear motion. Comparisons between empirically based isotropic and physics-based anisotropic source models suggest that both wave-scattering effects and near-field nonlinear effects are needed to explain the amplitude and irregular radiation pattern of shear motion observed during the SPE-3 explosion.« less

Analysis of Ground Motion from An Underground Chemical Explosion

DOE PAGES

Pitarka, Arben; Mellors, Robert J.; Walter, William R.; ...

2015-09-08

Here in this paper we investigate the excitation and propagation of far-field seismic waves from the 905 kg trinitrotoluene equivalent underground chemical explosion SPE-3 recorded during the Source Physics Experiment (SPE) at the Nevada National Security Site. The recorded far-field ground motion at short and long distances is characterized by substantial shear-wave energy, and large azimuthal variations in P-and S-wave amplitudes. The shear waves observed on the transverse component of sensors at epicentral distances <50 m suggests they were generated at or very near the source. The relative amplitude of the shear waves grows as the waves propagate away frommore » the source. We analyze and model the shear-wave excitation during the explosion in the 0.01–10 Hz frequency range, at epicentral distances of up to 1 km. We used two simulation techniques. One is based on the empirical isotropic Mueller–Murphy (MM) (Mueller and Murphy, 1971) nuclear explosion source model, and 3D anelastic wave propagation modeling. The second uses a physics-based approach that couples hydrodynamic modeling of the chemical explosion source with anelastic wave propagation modeling. Comparisons with recorded data show the MM source model overestimates the SPE-3 far-field ground motion by an average factor of 4. The observations show that shear waves with substantial high-frequency energy were generated at the source. However, to match the observations additional shear waves from scattering, including surface topography, and heterogeneous shallow structure contributed to the amplification of far-field shear motion. Comparisons between empirically based isotropic and physics-based anisotropic source models suggest that both wave-scattering effects and near-field nonlinear effects are needed to explain the amplitude and irregular radiation pattern of shear motion observed during the SPE-3 explosion.« less

Revival of the fittest: exploding core-collapse supernovae from 12 to 25 M⊙

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

Vartanyan, David; Burrows, Adam; Radice, David

Here, we present results of 2D axisymmetric core-collapse supernova simulations, employing the FORNAX code, of nine progenitor models spanning 12 to 25 M⊙. Four of the models explode with inelastic scattering off electrons and neutrons as well as the many-body correction to neutrino-nucleon scattering opacities. We show that these four models feature sharp Si–O interfaces in their density profiles, and that the corresponding dip in density reduces the accretion rate around the stalled shock and prompts explosion. The non-exploding models lack such a steep feature, highlighting the Si–O interface as one key to explosion. Furthermore, we show that all ofmore » the non-exploding models can be nudged to explosion with modest changes to macrophysical inputs, including moderate rotation and perturbations to infall velocities, as well as to microphysical inputs, including reasonable changes to neutrino-nucleon interaction rates, suggesting that all the models are perhaps close to criticality. Exploding models have energies of a few × 10 50 erg at the end of our simulation, and are rising, emphasizing the need to continue these simulations over larger grids and for longer times to reproduce the energies seen in nature. Morphology of the explosion contributes to the explosion energy, with more isotropic ejecta producing larger explosion energies. We do not find evidence for the Lepton-number Emission Self-sustained Asymmetry. Finally, we look at proto-neutron star (PNS) properties and explore the role of dimension in our simulations. We find that convection in the PNS produces larger PNS radii as well as greater ‘ν μ’ luminosities in 2D compared to 1D.« less

Revival of the fittest: exploding core-collapse supernovae from 12 to 25 M⊙

DOE PAGES

Vartanyan, David; Burrows, Adam; Radice, David; ...

2018-03-28

Here, we present results of 2D axisymmetric core-collapse supernova simulations, employing the FORNAX code, of nine progenitor models spanning 12 to 25 M⊙. Four of the models explode with inelastic scattering off electrons and neutrons as well as the many-body correction to neutrino-nucleon scattering opacities. We show that these four models feature sharp Si–O interfaces in their density profiles, and that the corresponding dip in density reduces the accretion rate around the stalled shock and prompts explosion. The non-exploding models lack such a steep feature, highlighting the Si–O interface as one key to explosion. Furthermore, we show that all ofmore » the non-exploding models can be nudged to explosion with modest changes to macrophysical inputs, including moderate rotation and perturbations to infall velocities, as well as to microphysical inputs, including reasonable changes to neutrino-nucleon interaction rates, suggesting that all the models are perhaps close to criticality. Exploding models have energies of a few × 10 50 erg at the end of our simulation, and are rising, emphasizing the need to continue these simulations over larger grids and for longer times to reproduce the energies seen in nature. Morphology of the explosion contributes to the explosion energy, with more isotropic ejecta producing larger explosion energies. We do not find evidence for the Lepton-number Emission Self-sustained Asymmetry. Finally, we look at proto-neutron star (PNS) properties and explore the role of dimension in our simulations. We find that convection in the PNS produces larger PNS radii as well as greater ‘ν μ’ luminosities in 2D compared to 1D.« less

Modelos autoconsistentes de sistemas estelares cuspidales y triaxiales con distribución de velocidades casi isotrópica

NASA Astrophysics Data System (ADS)

Carpintero, D. D.; Muzzio, J. C.; Navone, H. D.; Zorzi, A. F.

It has been shown in many works that it is possible to build stable, self-consistent models of triaxial stellar systems, even with cusps, and containing high percentages of chaotic orbits. Since all these models have been obtained from cold collapses, their velocity distributions are strongly radial. Also, chaos was computed using either Lyapunov exponents or SALI. However, models obtained by adiabatic deformation of spherical systems, in which the velocity distribution is more isotropic, showed a very low level of chaos, though it must be noted that the method of detecting chaos used in this case, namely the variation of orbital frequencies, is less sensitive than the abovementioned methods. In this work, we present models obtained by adiabatic deformation, in which we compute the fraction of chaotic orbits using both Lyapunov exponents and variation of orbital frequencies. Our results show that the percentages of chaotic orbits is significant, though they are smaller than those obtained in models with strong radial velocity components. FULL TEXT IN SPANISH

Two-level system in spin baths: Non-adiabatic dynamics and heat transport

NASA Astrophysics Data System (ADS)

Segal, Dvira

2014-04-01

We study the non-adiabatic dynamics of a two-state subsystem in a bath of independent spins using the non-interacting blip approximation, and derive an exact analytic expression for the relevant memory kernel. We show that in the thermodynamic limit, when the subsystem-bath coupling is diluted (uniformly) over many (infinite) degrees of freedom, our expression reduces to known results, corresponding to the harmonic bath with an effective, temperature-dependent, spectral density function. We then proceed and study the heat current characteristics in the out-of-equilibrium spin-spin-bath model, with a two-state subsystem bridging two thermal spin-baths of different temperatures. We compare the behavior of this model to the case of a spin connecting boson baths, and demonstrate pronounced qualitative differences between the two models. Specifically, we focus on the development of the thermal diode effect, and show that the spin-spin-bath model cannot support it at weak (subsystem-bath) coupling, while in the intermediate-strong coupling regime its rectifying performance outplays the spin-boson model.

Analysis of Three-dimension Viscous Flow in the Model Axial Compressor Stage K1002L

NASA Astrophysics Data System (ADS)

Tribunskaia, K.; Kozhukhov, Y. V.

2017-08-01

The main investigation subject considered in this paper is axial compressor model stage K1002L. Three simulation models were designed: Scheme 1 - inlet stage model consisting of IGV (Inlet Guide Vane), rotor and diffuser; Scheme 2 - two-stage model: IGV, first-stage rotor, first-stage diffuser, second-stage rotor, EGV (Exit Guide Vane); Scheme 3 - full-round model: IGV, rotor, diffuser. Numerical investigation of the model stage was held for four circumferential velocities at the outer diameter (Uout=125,160,180,210 m/s) within the range of flow coefficient: ϕ = 0.4 - 0.6. The computational domain was created with ANSYS CFX Workbench. According to simulation results, there were constructed aerodynamic characteristic curves of adiabatic efficiency and the adiabatic head coefficient calculated for total parameters were compared with data from the full-scale test received at the Central Boiler and Turbine Institution (CBTI), thus, verification of the calculated data was carried out. Moreover, there were conducted the following studies: comparison of aerodynamic characteristics of the schemes 1, 2; comparison of the sector and full-round models. The analysis and conclusions are supplemented by gas-dynamic method calculation for axial compressor stages.

3D Simulations of Supernova Remnants from Type Ia Supernova Models

NASA Astrophysics Data System (ADS)

Johnson, Heather; Reynolds, S. P.; Frohlich, C.; Blondin, J. M.

2014-01-01

Type Ia supernovae (SNe) originate from thermonuclear explosions of white dwarfs. A great deal is still unknown about the explosion mechanisms, particularly the degree of asymmetry. However, Type Ia supernova remnants (SNRs) can bear the imprint of asymmetry long after the explosion. A SNR of interest is G1.9+0.3, the youngest Galactic SNR, which demonstrates an unusual spatial distribution of elements in the ejecta. While its X-ray spectrum is dominated by synchrotron emission, spectral lines of highly ionized Si, S, and Fe are seen in a few locations, with Fe near the edge of the remnant and with strongly varying Fe/Si ratios. An asymmetric explosion within the white dwarf progenitor may be necessary to explain these unusual features of G1.9+0.3, in particular the shocked Fe at large radii. We use the VH-1 hydrodynamics code to evolve initial Type Ia explosion models in 1, 2, and 3 dimensions at an age of 100 seconds provided by other researchers to study asymmetry, the ignition properties, and the nucleosynthesis resulting from these explosions. We follow the evolution of these models interacting with a uniform external medium to a few hundred years in age. We find the abundance and location of ejecta elements from our models to be inconsistent with the observations of G1.9+0.3; while our models show asymmetric element distributions, we find no tendency for iron-group elements to be found beyond intermediate-mass elements, or for significant iron to be reverse-shocked at all at the age of G1.9+0.3. We compare the amounts of shocked iron-group and intermediate-mass elements as a function of time in the different models. Some new kind of explosion asymmetry may be required to explain G1.9+0.3. This work was performed as part of NC State University's Undergraduate Research in Computational Astrophysics (URCA) program, an REU program supported by the National Science Foundation through award AST-1032736.

Numerical Simulations of Thermobaric Explosions

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

Kuhl, A L; Bell, J B; Beckner, V E

2007-05-04

A Model of the energy evolution in thermobaric explosions is presented. It is based on the two-phase formulation: conservation laws for the gas and particle phases along with inter-phase interaction terms. It incorporates a Combustion Model based on the mass conservation laws for fuel, air and products; source/sink terms are treated in the fast-chemistry limit appropriate for such gas dynamic fields. The Model takes into account both the afterburning of the detonation products of the booster with air, and the combustion of the fuel (Al or TNT detonation products) with air. Numerical simulations were performed for 1.5-g thermobaric explosions inmore » five different chambers (volumes ranging from 6.6 to 40 liters and length-to-diameter ratios from 1 to 12.5). Computed pressure waveforms were very similar to measured waveforms in all cases - thereby proving that the Model correctly predicts the energy evolution in such explosions. The computed global fuel consumption {mu}(t) behaved as an exponential life function. Its derivative {dot {mu}}(t) represents the global rate of fuel consumption. It depends on the rate of turbulent mixing which controls the rate of energy release in thermobaric explosions.« less

Simulation of the detonation process of an ammonium nitrate based emulsion explosive using the Lee-Tarver reactive flow model

NASA Astrophysics Data System (ADS)

Ribeiro, Jose; Silva, Cristovao; Mendes, Ricardo; Plaksin, Igor; Campos, Jose

2011-06-01

The use of emulsion explosives [EEx] for processing materials (compaction, welding and forming) requires the ability to perform detailed simulations of its detonation process [DP]. Detailed numerical simulations of the DP of this kind of explosives, characterized by having a finite reaction zone thickness, are thought to be suitable performed using the Lee-Tarver reactive flow model. In this work a real coded genetic algorithm methodology was used to estimate the 15 parameters of the reaction rate equation [RRE] of that model for a particular EEx. This methodology allows, in a single optimization procedure, using only one experimental result and without the need of any starting solution, to seek for the 15 parameters of the RRE that fit the numerical to the experimental results. Mass averaging and the Plate-Gap Model have been used for the determination of the shock data used in the unreacted explosive JWL EoS assessment and the thermochemical code THOR retrieved the data used in the detonation products JWL EoS assessment. The obtained parameters allow a good description of the experimental data and show some peculiarities arising from the intrinsic nature of this kind of composite explosive.

Numerical study of water mitigation effects on blast wave

NASA Astrophysics Data System (ADS)

Cheng, M.; Hung, K. C.; Chong, O. Y.

2005-11-01

The mitigating effect of a water wall on the generation and propagation of blast waves of a nearby explosive has been investigated using a numerical approach. A multimaterial Eulerian finite element technique is used to study the influence of the design parameters, such as the water-to-explosive weight ratio, the water wall thickness, the air-gap and the cover area ratio of water on the effectiveness of the water mitigation concept. In the computational model, the detonation gases are modelled with the standard Jones Wilkins Lee (JWL) equation of state. Water, on the other hand, is treated as a compressible fluid with the Mie Gruneisen equation of state model. The validity of the computational model is checked against a limited amount of available experimental data, and the influence of mesh sizes on the convergence of results is also discussed. From the results of the extensive numerical experiments, it is deduced that firstly, the presence of an air-gap reduces the effectiveness of the water mitigator. Secondly, the higher the water-to-explosive weight ratio, the more significant is the reduction in peak pressure of the explosion. Typically, water-to-explosive weight ratios in the range of 1 3 are found to be most practical.

Two-Phase Model of Combustion in Explosions

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

Kuhl, A L; Khasainov, B; Bell, J

2006-06-19

A two-phase model for Aluminum particle combustion in explosions is proposed. It combines the gas-dynamic conservation laws for the gas phase with the continuum mechanics laws of multi-phase media, as formulated by Nigmatulin. Inter-phase mass, momentum and energy exchange are prescribed by the Khasainov model. Combustion is specified as material transformations in the Le Chatelier diagram which depicts the locus of thermodynamic states in the internal energy-temperature plane according to Kuhl. Numerical simulations are used to show the evolution of two-phase combustion fields generated by the explosive dissemination of a powdered Al fuel.

A new supernova light curve modeling program

NASA Astrophysics Data System (ADS)

Jäger, Zoltán; Nagy, Andrea P.; Biro, Barna I.; Vinkó, József

2017-12-01

Supernovae are extremely energetic explosions that highlight the violent deaths of various types of stars. Studying such cosmic explosions may be important because of several reasons. Supernovae play a key role in cosmic nucleosynthesis processes, and they are also the anchors of methods of measuring extragalactic distances. Several exotic physical processes take place in the expanding ejecta produced by the explosion. We have developed a fast and simple semi-analytical code to model the the light curve of core collapse supernovae. This allows the determination of their most important basic physical parameters, like the the radius of the progenitor star, the mass of the ejected envelope, the mass of the radioactive nickel synthesized during the explosion, among others.

Thermal Modeling of Bridgman Crystal Growth

NASA Technical Reports Server (NTRS)

Cothran, E.

1983-01-01

Heat Flow modeled for moving or stationary rod shaped sample inside directional-solidification furnace. Program effectively models one-dimensional heat flow in translating or motionless rod-shaped sample inside of directionalsolidification furnace in which adiabatic zone separates hot zone and cold zone. Applicable to systems for which Biot numbers in hot and cold zones are less than unity.

Body and Surface Wave Modeling of Observed Seismic Events

DTIC Science & Technology

1981-04-30

are commonly used and the third is a modification of a test of the representation theorem. All three give similar results for explosions in an NTS...order to better understand the Ms-Yield relationship for underground nuclear explosions , we need to be able to predict quantitatively the effects of...half-space Green’s functions, previously obtained, to calculate far-field Rayleigh waves from explosions . Consider a point explosion at h. (Figure 1

Using Q-Chem on the Peregrine System | High-Performance Computing | NREL

Science.gov Websites

initio quantum chemistry package with special strengths in excited state methods, non-adiabatic coupling , solvation models, explicitly correlated wavefunction methods, and cutting-edge DFT. Running Q-Chem on

One-Dimensional Time to Explosion (Thermal Sensitivity) of ANPZ

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

Hsu, P.; Hust, G.; McClelland, M.

Incidents caused by fire and combat operations can heat energetic materials that may lead to thermal explosion and result in structural damage and casualty. Some explosives may thermally explode at fairly low temperatures (< 100 C) and the violence from thermal explosion may cause a significant damage. Thus it is important to understand the response of energetic materials to thermal insults. The One Dimensional Time to Explosion (ODTX) system at the Lawrence Livermore National Laboratory has been used for decades to measure times to explosion, threshold thermal explosion temperature, and determine kinetic parameters of energetic materials. Samples of different configurationsmore » (pressed part, powder, paste, and liquid) can be tested in the system. The ODTX testing can also provide useful data for assessing the thermal explosion violence of energetic materials. This report summarizes the recent ODTX experimental data and modeling results for 2,6-diamino-3,5-dintropyrazine (ANPZ).« less

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

Hobbs, Michael L.

We have previously developed a PBX 9501 cookoff model for the plastic bonded explosive PBX 9501 consisting of 95 wt% octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazoncine (HMX), 2.5 wt% Estane® 5703 (a polyurethane thermoplastic), and 2.5 wt% of a nitroplasticizer (NP): BDNPA/F, a 50/50 wt% eutectic mixture bis(2,2-dinitropropyl)-acetal (BDNPA) and bis(2,2-dinitropropyl)-formal (BDNPF). This fivestep model includes desorption of water, decomposition of the NP to form NO 2, reaction of the NO 2 with Estane and HMX, and decomposition of HMX [1]. This model has been successfully validated with data from six laboratories with scales ranging from 2 g to more than 2.5 kg of explosive.more » We have determined, that the PBX 9501 model can be used to predict cookoff of other plastic bonded explosives containing HMX and an inert binder, such as LX-04 consisting of 85 wt% HMX and 15 wt% Viton A (vinylidine fluoride/hexafluoropropylene copolymer), LX-07 (90 wt% HMX and 10 wt% Viton A), LX- 10-0 (95 wt% HMX and 5 wt% Viton A), and LX-14 consisting of 95.5 wt % HMX and 4.5 wt% Estane® 5702-F1 (a polyurethane thermoplastic). Normally our cookoff models are verified using Sandia’s Instrumented Thermal Initiation (SITI) experiment. However, SITI data for LX-04, LX-07, LX-10-0, and LX-14 are not available at pressed density; although, some molding powder SITI data on LX-10-0 and LX-14 exists. Tarver and Tran [2] provide some one-dimensional time-to-explosion (ODTX) data for these explosives. The applicability of the PBX 9501 model to LX-04, LX-07, LX-10-0, AND LX-14 was made using this ODTX data [2]. The PBX 9501 model is applied to these other explosives by accounting for the correct amount of HMX in the explosive and limiting the NP reaction. We have found the PBX 9501 model to be useful for predicting the response of these PBXs to abnormal thermal environments such as fire.« less

Modeling and Optimization of Shaped Charge Liner Collapse and Jet Formation

DTIC Science & Technology

1993-01-01

Properties of Chemical Explosives and Explosive Simulants," Technical Report UCRL -52997, University of California, CA, 1981. 22. Mader, C. L., "FORTRAN...Numerical Modeling of Detonations, University of California Press, CA, 19,9. 49. Wilkens, M. L., "The Equation of State of PBX 9404 and LX04-01 ," Report UCRL ...of High Explosive Detonation Products, Report UCRL -50422, University of Califor- nia, CA, 1968. 51. Green, L. G.; Traver, C. M.; and Erskine, D. J

Analysis and Simulation of Near-Field Wave Motion Data from the Source Physics Experiment Explosions

DTIC Science & Technology

2011-09-01

understanding and ability to model explosively generated seismic waves, particularly S-waves. The first SPE explosion (SPE1) consisted of a 100 kg shot at a...depth of 60 meters in granite (Climax Stock). The shot was well- recorded by an array of over 150 instruments, including both near-field wave motion...measurements as well as far- field seismic measurements. This paper focuses on measurements and modeling of the near-field data. A complimentary

W17_geonuc “Application of the Spectral Element Method to improvement of Ground-based Nuclear Explosion Monitoring”

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

Larmat, Carene; Rougier, Esteban; Lei, Zhou

This project is in support of the Source Physics Experiment SPE (Snelson et al. 2013), which aims to develop new seismic source models of explosions. One priority of this program is first principle numerical modeling to validate and extend current empirical models.

Explosively Generated Plasmas: Measurement and Models of Shock Generation and Material Interactions

NASA Astrophysics Data System (ADS)

Emery, Samuel; Elert, Mark; Giannuzzi, Paul; Le, Ryan; McCarthy, Daniel; Schweigert, Igor

2017-06-01

Explosively generated plasmas (EGPs) are created by the focusing of a shock produced from an explosive driver via a conical waveguide. In the waveguide, the gases from the explosive along with the trapped air are accelerated and compressed (via Mach stemming) to such extent that plasma is produced. These EGPs have been measured in controlled experiments to achieve temperatures on the order of 1 eV and velocities as high as 25 km/s. We have conducted a combined modeling and measurement effort to increase the understanding for design purposes of the shock generation of EGPs and the interaction of EGP with explosive materials. Such efforts have led to improved measures of pressure and temperature, spatial structure of the plasma, and the decomposition/deflagration behavior of RDX upon exposure to an EGP. Funding provided by the Environmental Security Technology Certification Program (ESTCP) Munitions Response program area.

AMR Code Simulations of Turbulent Combustion in Confined and Unconfined SDF Explosions

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

Kuhl, A L; Bell, J B; Beckner, V

2009-05-29

A heterogeneous continuum model is proposed to describe the dispersion and combustion of an aluminum particle cloud in an explosion. It combines the gas-dynamic conservation laws for the gas phase with a continuum model for the dispersed phase, as formulated by Nigmatulin. Inter-phase mass, momentum and energy exchange are prescribed by phenomenological models. It incorporates a combustion model based on the mass conservation laws for fuel, air and products; source/sink terms are treated in the fast-chemistry limit appropriate for such gas dynamic fields, along with a model for mass transfer from the particle phase to the gas. The model takesmore » into account both the afterburning of the detonation products of the booster with air, and the combustion of the Al particles with air. The model equations were integrated by high-order Godunov schemes for both the gas and particle phases. Numerical simulations of the explosion fields from 1.5-g Shock-Dispersed-Fuel (SDF) charge in a 6.6 liter calorimeter were used to validate the combustion model. Then the model was applied to 10-kg Al-SDF explosions in a vented two-room structure and in an unconfined height-of-burst explosion. Computed pressure histories are in reasonable (but not perfect) agreement with measured waveforms. Differences are caused by physical-chemical kinetic effects of particle combustion which induce ignition delays in the initial reactive blast wave and quenching of reactions at late times. Current simulations give initial insights into such modeling issues.« less

Ultra High Mode Mix in NIF NIC Implosions

NASA Astrophysics Data System (ADS)

Scott, Robbie; Garbett, Warren

2017-10-01

This work re-examines a sub-set of the low adiabat implosions from the National Ignition Campaign in an effort to better understand potential phenomenological sources of `excess' mix observed experimentally. An extensive effort has been made to match both shock-timing and backlit radiography (Con-A) implosion data in an effort to reproduce the experimental conditions as accurately as possible. Notably a 30% reduction in ablation pressure at peak drive is required to match the experimental data. The reduced ablation pressure required to match the experimental data allows the ablator to decompress, in turn causing the DT ice-ablator interface to go Rayleigh-Taylor unstable early in the implosion acceleration phase. Post-processing the runs with various mix models indicates high-mode mix from the DT ice-ablator interface may penetrate deep into the hotspot. This work offers a potential explanation of why these low-adiabat implosions exhibited significantly higher levels of mix than expected from high-fidelity multi-dimensional simulations. Through this new understanding, a possible route forward for low-adiabat implosions on NIF is suggested.

Computation of turbulent boundary layers employing the defect wall-function method. M.S. Thesis

NASA Technical Reports Server (NTRS)

Brown, Douglas L.

1994-01-01

In order to decrease overall computational time requirements of spatially-marching parabolized Navier-Stokes finite-difference computer code when applied to turbulent fluid flow, a wall-function methodology, originally proposed by R. Barnwell, was implemented. This numerical effort increases computational speed and calculates reasonably accurate wall shear stress spatial distributions and boundary-layer profiles. Since the wall shear stress is analytically determined from the wall-function model, the computational grid near the wall is not required to spatially resolve the laminar-viscous sublayer. Consequently, a substantially increased computational integration step size is achieved resulting in a considerable decrease in net computational time. This wall-function technique is demonstrated for adiabatic flat plate test cases from Mach 2 to Mach 8. These test cases are analytically verified employing: (1) Eckert reference method solutions, (2) experimental turbulent boundary-layer data of Mabey, and (3) finite-difference computational code solutions with fully resolved laminar-viscous sublayers. Additionally, results have been obtained for two pressure-gradient cases: (1) an adiabatic expansion corner and (2) an adiabatic compression corner.

Model development of supersonic trough wind with shocks

NASA Technical Reports Server (NTRS)

Grebowsky, J. M.

1972-01-01

The time dependent one dimensional hydrodynamic equations describe the evolution of the thermal plasma flow along closed magnetic field lines outside of the plasmasphere. The convection of the supersonic polar wind onto a closed fieldline results in the assumed formation of collisionless plasma shocks. These shocks move earthward as the field line with its frozen-in plasma remains fixed or contracts with time to smaller L coordinates. The high equatorial plasma temperature (of the order of electron volts) produced by the shock process decreases with time if the flow is isothermal but it will increase if the contraction is under adiabatic conditions. Assuming adiabaticity a peak in the temperature forms at the equator in conjunction with a depression in the ion density. After an initial contraction, if the flux tube drifts to higher L coordinates the direction of the shock motion can be reversed so that the supersonic region will expand along the field line towards the state characterizing the supersonic polar wind. A rapid expansion will lower the equatorial density while the temperature decreases with time under adiabatic but not isothermal conditions.

Experimental aspects of the adiabatic approach in estimating the effect of electron screening on alpha decay

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

Karpeshin, F. F., E-mail: fkarpeshin@gmail.com; Trzhaskovskaya, M. B.

2015-12-15

Special features of the effect of the electron shell on alpha decay that have important experimental implications are studied within the adiabatic approach. The magnitude of the effect is about several tenths of a percent or smaller, depending on the transition energy and on the atomic number. A dominant role of inner shells is shown: more than 80% of the effect is saturated by 1s electrons. This circumstance plays a crucial role for experiments, making it possible to measure this small effect by a difference method in the same storage rings via a comparison of, for example, decay probabilities inmore » bare nuclei and heliumlike ions. The reasons behind the relative success and the applicability limits of the frozen-shell model, which has been used to calculate the effect in question for more than half a century, are analyzed. An interesting experiment aimed at studying charged alpha-particle states is proposed. This experiment will furnish unique information for testing our ideas of the interplay of nonadiabatic and adiabatic processes.« less

Correlated electron-nuclear dissociation dynamics: classical versus quantum motion

NASA Astrophysics Data System (ADS)

Schaupp, Thomas; Albert, Julian; Engel, Volker

2017-01-01

We investigate the coupled electron-nuclear dynamics in a model system which undergoes dissociation. In choosing different initial conditions, the cases of adiabatic and non-adiabatic dissociation are realized. We treat the coupled electronic and nuclear motion in the complete configuration space so that classically, no surface hopping procedures have to be incorporated in the case that more than a single adiabatic electronic state is populated during the fragmentation. Due to the anharmonic interaction potential, it is expected that classical mechanics substantially deviate from quantum mechanics. However, we provide examples where the densities and fragmentation yields obtained from the two treatments are in astonishingly strong agreement in the case that one starts in the electronic ground state initially. As expected, larger deviations are found if one starts in electronically excited states where trajectories are sampled from the more spatially extended electronic wave function. In that case, higher initial energies are accessed, and the motion proceeds in regions with increasing degree of anharmonicity. Contribution to the Topical Issue "Dynamics of Molecular Systems (MOLEC 2016)", edited by Alberto Garcia-Vela, Luis Banares and Maria Luisa Senent.

Ultrafast Electronic Relaxation through a Conical Intersection: Nonadiabatic Dynamics Disentangled through an Oscillator Strength-Based Diabatization Framework

DOE PAGES

Medders, Gregory R.; Alguire, Ethan C.; Jain, Amber; ...

2017-01-18

Here, we employ surface hopping trajectories to model the short-time dynamics of gas-phase and partially solvated 4-(N,N-dimethylamino)benzonitrile (DMABN), a dual fluorescent molecule that is known to undergo a nonadiabatic transition through a conical intersection. To compare theory vs time-resolved fluorescence measurements, we calculate the mixed quantum–classical density matrix and the ensemble averaged transition dipole moment. We introduce a diabatization scheme based on the oscillator strength to convert the TDDFT adiabatic states into diabatic states of L a and L b character. Somewhat surprisingly, we find that the rate of relaxation reported by emission to the ground state is almost 50%more » slower than the adiabatic population relaxation. Although our calculated adiabatic rates are largely consistent with previous theoretical calculations and no obvious effects of decoherence are seen, the diabatization procedure introduced here enables an explicit picture of dynamics in the branching plane, raising tantalizing questions about geometric phase effects in systems with dozens of atoms.« less

Energization of the Ring Current through Convection of Substorm Enhancements of the Plasma Sheet Source.

NASA Astrophysics Data System (ADS)

Menz, A.; Kistler, L. M.; Mouikis, C.; Spence, H. E.; Henderson, M. G.; Matsui, H.

2017-12-01

It has been shown that electric field strength and night-side plasma sheet density are the two best predictors of the adiabatic energy gain of the ring current during geomagnetic storms (Liemohn and Khazanov, 2005). While H+ dominates the ring current during quiet times, O+ can contribute substantially during geomagnetic storms. Substorm activity provides a mechanism to enhance the energy density of O+ in the plasma sheet during geomagnetic storms, which is then convected adiabatically into the inner-magnetosphere. Using the Van Allen Probes data in the the plasma sheet source region (defined as L>5.5 during storms) and the inner magnetosphere, along with LANL-GEO data to identify substorm injection times, we show that adiabatic convection of O+ enhancements in the source region can explain the observed enhancements in the inner magnetosphere. We use the UNH-IMEF electric field model to calculate drift times from the source region to the inner magnetosphere to test whether enhancements in the inner-magnetosphere can be explained by dipolarization driven enhancements in the plasma sheet source hours before.

Adiabatic heating in impulsive solar flares

NASA Technical Reports Server (NTRS)

Maetzler, C.; Bai, T.; Crannell, C. J.; Frost, K. J.

1977-01-01

The dynamic X-ray spectra of two simple, impulsive solar flares are examined together with H alpha, microwave and meter wave radio observations. X-ray spectra of both events were characteristic of thermal bremsstrahlung from single temperature plasmas. The symmetry between rise and fall was found to hold for the temperature and emission measure. The relationship between temperature and emission measure was that of an adiabatic compression followed by adiabatic expansion; the adiabatic index of 5/3 indicated that the electron distribution remained isotropic. Observations in H alpha provided further evidence for compressive energy transfer.

Adiabatic transfer of energy fluctuations between membranes inside an optical cavity

NASA Astrophysics Data System (ADS)

Garg, Devender; Chauhan, Anil K.; Biswas, Asoka

2017-08-01

A scheme is presented for the adiabatic transfer of average fluctuations in the phonon number between two membranes in an optical cavity. We show that by driving the cavity modes with external time-delayed pulses, one can obtain an effect analogous to stimulated Raman adiabatic passage in the atomic systems. The adiabatic transfer of fluctuations from one membrane to the other is attained through a "dark" mode, which is robust against decay of the mediating cavity mode. The results are supported with analytical and numerical calculations with experimentally feasible parameters.

Connection between optimal control theory and adiabatic-passage techniques in quantum systems

NASA Astrophysics Data System (ADS)

Assémat, E.; Sugny, D.

2012-08-01

This work explores the relationship between optimal control theory and adiabatic passage techniques in quantum systems. The study is based on a geometric analysis of the Hamiltonian dynamics constructed from Pontryagin's maximum principle. In a three-level quantum system, we show that the stimulated Raman adiabatic passage technique can be associated to a peculiar Hamiltonian singularity. One deduces that the adiabatic pulse is solution of the optimal control problem only for a specific cost functional. This analysis is extended to the case of a four-level quantum system.

Adiabatic markovian dynamics.

PubMed

Oreshkov, Ognyan; Calsamiglia, John

2010-07-30

We propose a theory of adiabaticity in quantum markovian dynamics based on a decomposition of the Hilbert space induced by the asymptotic behavior of the Lindblad semigroup. A central idea of our approach is that the natural generalization of the concept of eigenspace of the Hamiltonian in the case of markovian dynamics is a noiseless subsystem with a minimal noisy cofactor. Unlike previous attempts to define adiabaticity for open systems, our approach deals exclusively with physical entities and provides a simple, intuitive picture at the Hilbert-space level, linking the notion of adiabaticity to the theory of noiseless subsystems. As two applications of our theory, we propose a general framework for decoherence-assisted computation in noiseless codes and a dissipation-driven approach to holonomic computation based on adiabatic dragging of subsystems that is generally not achievable by nondissipative means.

Adiabatic Quantum Search in Open Systems.

PubMed

Wild, Dominik S; Gopalakrishnan, Sarang; Knap, Michael; Yao, Norman Y; Lukin, Mikhail D

2016-10-07

Adiabatic quantum algorithms represent a promising approach to universal quantum computation. In isolated systems, a key limitation to such algorithms is the presence of avoided level crossings, where gaps become extremely small. In open quantum systems, the fundamental robustness of adiabatic algorithms remains unresolved. Here, we study the dynamics near an avoided level crossing associated with the adiabatic quantum search algorithm, when the system is coupled to a generic environment. At zero temperature, we find that the algorithm remains scalable provided the noise spectral density of the environment decays sufficiently fast at low frequencies. By contrast, higher order scattering processes render the algorithm inefficient at any finite temperature regardless of the spectral density, implying that no quantum speedup can be achieved. Extensions and implications for other adiabatic quantum algorithms will be discussed.

Shortcuts to adiabaticity. Suppression of pair production in driven Dirac dynamics

DOE PAGES

Deffner, Sebastian

2015-12-21

By achieving effectively adiabatic dynamics in finite time, we have found that it is our ubiquitous goal in virtually all areas of modern physics. So-called shortcuts to adiabaticity refer to a set of methods and techniques that allow us to produce in a short time the same final state that would result from an adiabatic, infinitely slow process. In this paper we generalize one of these methods—the fast-forward technique—to driven Dirac dynamics. We find that our main result shortcuts to adiabaticity for the (1+1)-dimensional Dirac equation are facilitated by a combination of both scalar and pseudoscalar potentials. Our findings aremore » illustrated for two analytically solvable examples, namely charged particles driven in spatially homogeneous and linear vector fields.« less

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

Kumar, Dinesh; Thapliyal, Himanshu; Mohammad, Azhar

Differential Power Analysis (DPA) attack is considered to be a main threat while designing cryptographic processors. In cryptographic algorithms like DES and AES, S-Box is used to indeterminate the relationship between the keys and the cipher texts. However, S-box is prone to DPA attack due to its high power consumption. In this paper, we are implementing an energy-efficient 8-bit S-Box circuit using our proposed Symmetric Pass Gate Adiabatic Logic (SPGAL). SPGAL is energy-efficient as compared to the existing DPAresistant adiabatic and non-adiabatic logic families. SPGAL is energy-efficient due to reduction of non-adiabatic loss during the evaluate phase of the outputs.more » Further, the S-Box circuit implemented using SPGAL is resistant to DPA attacks. The results are verified through SPICE simulations in 180nm technology. SPICE simulations show that the SPGAL based S-Box circuit saves upto 92% and 67% of energy as compared to the conventional CMOS and Secured Quasi-Adiabatic Logic (SQAL) based S-Box circuit. From the simulation results, it is evident that the SPGAL based circuits are energy-efficient as compared to the existing DPAresistant adiabatic and non-adiabatic logic families. In nutshell, SPGAL based gates can be used to build secure hardware for lowpower portable electronic devices and Internet-of-Things (IoT) based electronic devices.« less

Improved Cook-off Modeling of Multi-component Cast Explosives

NASA Astrophysics Data System (ADS)

Nichols, Albert

2017-06-01

In order to understand the hazards associated with energetic materials, it is important to understand their behavior in adverse thermal environments. These processes have been relatively well understood for solid explosives, however, the same cannot be said for multi-component melt-cast explosives. Here we describe the continued development of ALE3D, a coupled thermal/chemical/mechanical code, to improve its description of fluid explosives. The improved physics models include: 1) Chemical potential driven species segregation. This model allows us to model the complex flow fields associated with the melting and decomposing Comp-B, where the denser RDX tends to settle and the decomposing gasses rise, 2) Automatically scaled stream-wise diffusion model for thermal, species, and momentum diffusion. These models add sufficient numerical diffusion in the direction of flow to maintain numerical stability when the system is under resolved, as occurs for large systems. And 3) a slurry viscosity model, required to properly define the flow characteristics of the multi-component fluidized system. These models will be demonstrated on a simple Comp-B system. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

Simulations of the modified gap experiment

NASA Astrophysics Data System (ADS)

Sutherland, Gerrit T.; Benjamin, Richard; Kooker, Douglas

2017-01-01

Modified gap experiment (test) hydrocode simulations predict the trends seen in experimental excess free surface velocity versus input pressure curves for explosives with both large and modest failure diameters. Simulations were conducted for explosive "A", an explosive with a large failure diameter, and for cast TNT, which has a modest failure diameter. Using the best available reactive rate models, the simulations predicted sustained ignition thresholds similar to experiment. This is a threshold where detonation is likely given a long enough run distance. For input pressures greater than the sustained ignition threshold pressure, the simulations predicted too little velocity for explosive "A" and too much velocity for TNT. It was found that a better comparison of experiment and simulation requires additional experimental data for both explosives. It was observed that the choice of reactive rate model for cast TNT can lead to large differences in the predicted modified gap experiment result. The cause of the difference is that the same data was not used to parameterize both models; one set of data was more shock reactive than the other.

STOCHASTICITY AND EFFICIENCY IN SIMPLIFIED MODELS OF CORE-COLLAPSE SUPERNOVA EXPLOSIONS

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

Cardall, Christian Y.; Budiardja, Reuben D., E-mail: cardallcy@ornl.gov, E-mail: reubendb@utk.edu

2015-11-01

We present an initial report on 160 simulations of a highly simplified model of the post-bounce core-collapse supernova environment in three spatial dimensions (3D). We set different values of a parameter characterizing the impact of nuclear dissociation at the stalled shock in order to regulate the post-shock fluid velocity, thereby determining the relative importance of convection and the stationary accretion shock instability (SASI). While our convection-dominated runs comport with the paradigmatic notion of a “critical neutrino luminosity” for explosion at a given mass accretion rate (albeit with a nontrivial spread in explosion times just above threshold), the outcomes of ourmore » SASI-dominated runs are much more stochastic: a sharp threshold critical luminosity is “smeared out” into a rising probability of explosion over a ∼20% range of luminosity. We also find that the SASI-dominated models are able to explode with 3–4 times less efficient neutrino heating, indicating that progenitor properties, and fluid and neutrino microphysics, conducive to the SASI would make the neutrino-driven explosion mechanism more robust.« less

Experimental study on the influence of chemical sensitizer on pressure resistance in deep water of emulsion explosives

NASA Astrophysics Data System (ADS)

Liu, Lei; zhang, Zhihua; Wang, Ya; Qin, hao

2018-03-01

The study on the pressure resistance performance of emulsion explosives in deep water can provide theoretical basis for underwater blasting, deep-hole blasting and emulsion explosives development. The sensitizer is an important component of emulsion explosives. By using reusable experimental devices to simulate the charge environment in deep water, the influence of the content of chemical sensitizer on the deep-water pressure resistance performance of emulsion explosives was studied. The experimental results show that with the increasing of the content of chemical sensitizer, the deep-water pressure resistance performance of emulsion explosives gradually improves, and when the pressure is fairly large, the effect is particularly pronounced; in a certain range, with the increase of the content of chemical sensitizer, that emulsion explosives’ explosion performance also gradually improve, but when the content reaches a certain value, the explosion properties declined instead; under the same emulsion matrix condition, when the content of NANO2 is 0.2%, that the emulsion explosives has good resistance to water pressure and good explosion properties. The correctness of the results above was testified in model blasting.

Optimization of Equation of State and Burn Model Parameters for Explosives

NASA Astrophysics Data System (ADS)

Bergh, Magnus; Wedberg, Rasmus; Lundgren, Jonas

2017-06-01

A reactive burn model implemented in a multi-dimensional hydrocode can be a powerful tool for predicting non-ideal effects as well as initiation phenomena in explosives. Calibration against experiment is, however, critical and non-trivial. Here, a procedure is presented for calibrating the Ignition and Growth Model utilizing hydrocode simulation in conjunction with the optimization program LS-OPT. The model is applied to the explosive PBXN-109. First, a cylinder expansion test is presented together with a new automatic routine for product equation of state calibration. Secondly, rate stick tests and instrumented gap tests are presented. Data from these experiments are used to calibrate burn model parameters. Finally, we discuss the applicability and development of this optimization routine.

Mixed quantum-classical simulation of the hydride transfer reaction catalyzed by dihydrofolate reductase based on a mapped system-harmonic bath model

NASA Astrophysics Data System (ADS)

Xu, Yang; Song, Kai; Shi, Qiang

2018-03-01

The hydride transfer reaction catalyzed by dihydrofolate reductase is studied using a recently developed mixed quantum-classical method to investigate the nuclear quantum effects on the reaction. Molecular dynamics simulation is first performed based on a two-state empirical valence bond potential to map the atomistic model to an effective double-well potential coupled to a harmonic bath. In the mixed quantum-classical simulation, the hydride degree of freedom is quantized, and the effective harmonic oscillator modes are treated classically. It is shown that the hydride transfer reaction rate using the mapped effective double-well/harmonic-bath model is dominated by the contribution from the ground vibrational state. Further comparison with the adiabatic reaction rate constant based on the Kramers theory confirms that the reaction is primarily vibrationally adiabatic, which agrees well with the high transmission coefficients found in previous theoretical studies. The calculated kinetic isotope effect is also consistent with the experimental and recent theoretical results.

An analytical approach to thermal modeling of Bridgman-type crystal growth. I - One-dimensional analysis

NASA Technical Reports Server (NTRS)

Naumann, R. J.

1982-01-01

A relatively simple one-dimensional thermal model of the Bridgman growth process has been developed which is applicable to the growth of small diameter samples with conductivities similar to those of metallic alloys. The heat flow in a translating rod is analyzed in a way that is applicable to Biot numbers less than unity. The model accommodates an adiabatic zone, different heat transfer coefficients in the hot and cold zones, and changes in sample material properties associated with phase change. The analysis is applied to several simplified cases. The effect of the rod's motion is studied in a three-zone furnace for a rod sufficiently long that end effects can be neglected; end effects are then investigated for a motionless rod. Finally, the addition of a fourth zone, an independently controlled booster heater between the main heater and the adiabatic zone, is evaluated for its ability to increase the gradient in the sample at the melt interface and to control the position of the interface.

Helium in double-detonation models of type Ia supernovae

NASA Astrophysics Data System (ADS)

Boyle, Aoife; Sim, Stuart A.; Hachinger, Stephan; Kerzendorf, Wolfgang

2017-03-01

The double-detonation explosion model has been considered a candidate for explaining astrophysical transients with a wide range of luminosities. In this model, a carbon-oxygen white dwarf star explodes following detonation of a surface layer of helium. One potential signature of this explosion mechanism is the presence of unburned helium in the outer ejecta, left over from the surface helium layer. In this paper we present simple approximations to estimate the optical depths of important He I lines in the ejecta of double-detonation models. We use these approximations to compute synthetic spectra, including the He I lines, for double-detonation models obtained from hydrodynamical explosion simulations. Specifically, we focus on photospheric-phase predictions for the near-infrared 10 830 Å and 2 μm lines of He I. We first consider a double detonation model with a luminosity corresponding roughly to normal SNe Ia. This model has a post-explosion unburned He mass of 0.03 M⊙ and our calculations suggest that the 2 μm feature is expected to be very weak but that the 10 830 Å feature may have modest opacity in the outer ejecta. Consequently, we suggest that a moderate-to-weak He I 10 830 Å feature may be expected to form in double-detonation explosions at epochs around maximum light. However, the high velocities of unburned helium predicted by the model ( 19 000 km s-1) mean that the He I 10 830 Å feature may be confused or blended with the C I 10 690 Å line forming at lower velocities. We also present calculations for the He I 10 830 Å and 2 μm lines for a lower mass (low luminosity) double detonation model, which has a post-explosion He mass of 0.077 M⊙. In this case, both the He I features we consider are strong and can provide a clear observational signature of the double-detonation mechanism.

Forensic analysis of explosions: Inverse calculation of the charge mass.

PubMed

van der Voort, M M; van Wees, R M M; Brouwer, S D; van der Jagt-Deutekom, M J; Verreault, J

2015-07-01

Forensic analysis of explosions consists of determining the point of origin, the explosive substance involved, and the charge mass. Within the EU FP7 project Hyperion, TNO developed the Inverse Explosion Analysis (TNO-IEA) tool to estimate the charge mass and point of origin based on observed damage around an explosion. In this paper, inverse models are presented based on two frequently occurring and reliable sources of information: window breakage and building damage. The models have been verified by applying them to the Enschede firework disaster and the Khobar tower attack. Furthermore, a statistical method has been developed to combine the various types of data, in order to determine an overall charge mass distribution. In relatively open environments, like for the Enschede firework disaster, the models generate realistic charge masses that are consistent with values found in forensic literature. The spread predicted by the IEA tool is however larger than presented in the literature for these specific cases. This is also realistic due to the large inherent uncertainties in a forensic analysis. The IEA-models give a reasonable first order estimate of the charge mass in a densely built urban environment, such as for the Khobar tower attack. Due to blast shielding effects which are not taken into account in the IEA tool, this is usually an under prediction. To obtain more accurate predictions, the application of Computational Fluid Dynamics (CFD) simulations is advised. The TNO IEA tool gives unique possibilities to inversely calculate the TNT equivalent charge mass based on a large variety of explosion effects and observations. The IEA tool enables forensic analysts, also those who are not experts on explosion effects, to perform an analysis with a largely reduced effort. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Electric Quadrupole E2- Transitions of 170-174 Yb Isotopes

NASA Astrophysics Data System (ADS)

Abu El Sheikh, Mohd Kh. M.; Okhunov, Abdurahim A.; Usmanov, Ph. N.; Hassan, Torla HJ

2017-12-01

The non-adiabatic effects which is manifested in the electric properties of low-lying states of even-even deformed nuclei are studied. A simple phenomenological model which takes into account the Coriolis mixing of {K}π ={0}n+,{2}n+ and {K}π ={1}ν + state bands. The Calculations for isotopes 170-174 Yb, are carried out. The reduced probability of electric quadrupole transitions from the states {0}ν + and {2}ν + - bands to the ground (gr) state band is calculated and non adiabatic effect is discussed. The ratio of E2- transitions RIK from {0}2+, {0}3+, {2}1+, and {2}2+ bands are calculated and compared with the experimental data.

A minimalistic and optimized conveyor belt for neutral atoms.

PubMed

Roy, Ritayan; Condylis, Paul C; Prakash, Vindhiya; Sahagun, Daniel; Hessmo, Björn

2017-10-20

Here we report of a design and the performance of an optimized micro-fabricated conveyor belt for precise and adiabatic transportation of cold atoms. A theoretical model is presented to determine optimal currents in conductors used for the transportation. We experimentally demonstrate a fast adiabatic transportation of Rubidium ( 87 Rb) cold atoms with minimal loss and heating with as few as three conveyor belt conductors. This novel design of a multilayered conveyor belt structure is fabricated in aluminium nitride (AlN) because of its outstanding thermal and electrical properties. This demonstration would pave a way for a compact and portable quantum device required for quantum information processing and sensors, where precise positioning of cold atoms is desirable.

Underbody Blast Models of TBI Caused by Hyper-Acceleration and Secondary Head Impact

DTIC Science & Technology

2017-10-01

brain injury (TBI), with most of these head injuries caused by explosive munitions such as bombs , land mines, improvised explosive devices and missiles...with most of these injuries caused by explosive munitions such as bombs , land mines, improvised explosive devices (IEDs), and missiles.1,2 Little is...Neurosurg. 2008;108: 124–131. 21. Richards EM , Fiskum G, Rosenthal RE, Hopkins I, McKenna MC. Hyperoxic reperfusion after global ischemia decreases

Proceedings of the Numerical Modeling for Underground Nuclear Test Monitoring Symposium

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

Taylor, S.R.; Kamm, J.R.

1993-11-01

The purpose of the meeting was to discuss the state-of-the-art in numerical simulations of nuclear explosion phenomenology with applications to test ban monitoring. We focused on the uniqueness of model fits to data, the measurement and characterization of material response models, advanced modeling techniques, and applications of modeling to monitoring problems. The second goal of the symposium was to establish a dialogue between seismologists and explosion-source code calculators. The meeting was divided into five main sessions: explosion source phenomenology, material response modeling, numerical simulations, the seismic source, and phenomenology from near source to far field. We feel the symposium reachedmore » many of its goals. Individual papers submitted at the conference are indexed separately on the data base.« less

Modelling and Testing of Blast Effect On the Structures

NASA Astrophysics Data System (ADS)

Figuli, Lucia; Jangl, Štefan; Papán, Daniel

2016-10-01

As a blasting agent in the blasting and mining engineering, has been using one of so called new generation of explosives which offer greater flexibility in their range and application, and such explosive is ANFO. It is type of explosive consists of an oxidiser and a fuel (ammonium nitrate and fuel oil). One of such ANFO explosives which are industrially made in Slovakia is POLONIT. The explosive is a mixture of ammonium nitrate, methyl esters of higher fatty acids, vegetable oil and red dye. The paper deals with the analysis of structure subjected to the blast load created by the explosion of POLONIT charge. First part of paper is describing behaviour and characteristic of blast wave generated from the blast (detonation characteristics, physical characteristics, time-history diagram etc.) and the second part presents the behaviour of such loaded structures, because of the analysis of such dynamical loaded structure is required knowing the parameters of blast wave, its effect on structure and the tools for the solution of dynamic analysis. The real field tests of three different weight of charges and two different structures were done. The explosive POLONIT was used together with 25 g of ignition explosive PLNp10. Analytical and numerical model of blast loaded structure is compared with the results obtained from the field tests (is compared with the corresponding experimental accelerations). For the modelling structures were approximated as a one-degree system of freedom (SDOF), where the blast wave was estimated with linear decay and exponential decay using positive and negative phase of blast wave. Numerical solution of the steel beam dynamic response was performed via FEM (Finite Element Method) using standard software Visual FEA.

Numerical modelling of underwater detonation of non-ideal condensed-phase explosives

NASA Astrophysics Data System (ADS)

Schoch, Stefan; Nikiforakis, Nikolaos

2015-01-01

The interest in underwater detonation tests originated from the military, since the expansion and subsequent collapse of the explosive bubble can cause considerable damage to surrounding structures or vessels. In military applications, the explosive is typically represented as a pre-burned material under high pressure, a reasonable assumption due to the short reaction zone lengths, and complete detonation of the unreacted explosive. Hence, numerical simulations of underwater detonation tests have been primarily concerned with the prediction of target loading and the damage incurred rather than the accurate modelling of the underwater detonation process. The mining industry in contrast has adopted the underwater detonation test as a means to experimentally characterise the energy output of their highly non-ideal explosives depending on explosive type and charge configuration. This characterisation requires a good understanding of how the charge shape, pond topography, charge depth, and additional charge confinement affect the energy release, some of which can be successfully quantified with the support of accurate numerical simulations. In this work, we propose a numerical framework which is able to capture the non-ideal explosive behaviour and in addition is capable of capturing both length scales: the reaction zone and the pond domain. The length scale problem is overcome with adaptive mesh refinement, which, along with the explosive model, is validated against experimental data of various TNT underwater detonations. The variety of detonation and bubble behaviour observed in non-ideal detonations is demonstrated in a parameter study over the reactivity of TNT. A representative underwater mining test containing an ammonium-nitrate fuel-oil ratestick charge is carried out to demonstrate that the presented method can be readily applied alongside experimental underwater detonation tests.

Understanding Laterally Varying Path Effects on P/S Ratios and their Effectiveness for Event Discrimination at Local Distances

NASA Astrophysics Data System (ADS)

Pyle, M. L.; Walter, W. R.

2017-12-01

Discrimination between underground explosions and naturally occurring earthquakes is an important endeavor for global security and test-ban treaty monitoring, and ratios of seismic P to S-wave amplitudes at regional distances have proven to be an effective discriminant. The use of the P/S ratio is rooted in the idea that explosive sources should theoretically only generate compressional energy. While, in practice, shear energy is observed from explosions, generally when corrections are made for magnitude and distance, P/S ratios from explosions are higher than those from surrounding earthquakes. At local distances (< 200 km) that might be needed to detect smaller events, however, this discriminant becomes less reliable. While ratios at some stations still show separation between earthquake and explosion populations, at other stations the populations are indistinguishable. There is no clear distance or azimuthal trend for which stations show discriminating abilities and which do not. A number of factors may play a role in differences we see between regional and local discrimination, including source effects such as depth and radiation pattern, and path effects such as laterally varying attenuation and focusing/defocusing from layers and scattering. We use data from the Source Physics Experiment (SPE) to investigate some of these effects. SPE is a series of chemical explosions at the Nevada National Security Site (NNSS) designed to improve our understanding and modeling capabilities of shear waves generated by explosions. Phase I consisted of 5 explosions in granite and Phase II will move to a contrasting dry alluvium geology. We apply a high-resolution 2D attenuation model to events near the NNSS to examine what effect path plays in local P/S ratios, and how well an earthquake-derived model can account for shallower explosion paths. The model incorporates both intrinsic attenuation and scattering effects and extends to 16 Hz, allowing us to make lateral path corrections and consider high-frequency ratios. Preliminary work suggests that while 2D path corrections modestly improve earthquake amplitude predictions, explosion amplitudes are not well matched, and so P/S ratios do not necessarily improve. Further work is needed to better understand the uses and limitation of 2D path corrections for local P/S ratios.

Explosive synchronization coexists with classical synchronization in the Kuramoto model

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

Danziger, Michael M., E-mail: michael.danziger@biu.ac.il; Havlin, Shlomo; Moskalenko, Olga I.

2016-06-15

Explosive synchronization has recently been reported in a system of adaptively coupled Kuramoto oscillators, without any conditions on the frequency or degree of the nodes. Here, we find that, in fact, the explosive phase coexists with the standard phase of the Kuramoto oscillators. We determine this by extending the mean-field theory of adaptively coupled oscillators with full coupling to the case with partial coupling of a fraction f. This analysis shows that a metastable region exists for all finite values of f > 0, and therefore explosive synchronization is expected for any perturbation of adaptively coupling added to the standard Kuramoto model.more » We verify this theory with GPU-accelerated simulations on very large networks (N ∼ 10{sup 6}) and find that, in fact, an explosive transition with hysteresis is observed for all finite couplings. By demonstrating that explosive transitions coexist with standard transitions in the limit of f → 0, we show that this behavior is far more likely to occur naturally than was previously believed.« less

Transient dynamics of vulcanian explosions and column collapse.

PubMed

Clarke, A B; Voight, B; Neri, A; Macedonio, G

2002-02-21

Several analytical and numerical eruption models have provided insight into volcanic eruption behaviour, but most address plinian-type eruptions where vent conditions are quasi-steady. Only a few studies have explored the physics of short-duration vulcanian explosions with unsteady vent conditions and blast events. Here we present a technique that links unsteady vent flux of vulcanian explosions to the resulting dispersal of volcanic ejecta, using a numerical, axisymmetric model with multiple particle sizes. We use observational data from well documented explosions in 1997 at the Soufrière Hills volcano in Montserrat, West Indies, to constrain pre-eruptive subsurface initial conditions and to compare with our simulation results. The resulting simulations duplicate many features of the observed explosions, showing transitional behaviour where mass is divided between a buoyant plume and hazardous radial pyroclastic currents fed by a collapsing fountain. We find that leakage of volcanic gas from the conduit through surrounding rocks over a short period (of the order of 10 hours) or retarded exsolution can dictate the style of explosion. Our simulations also reveal the internal plume dynamics and particle-size segregation mechanisms that may occur in such eruptions.

Generation of Shear Motion from an Isotropic Explosion Source by Scattering in Heterogeneous Media

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

Hirakawa, Evan; Pitarka, Arben; Mellors, Robert

One challenging task in explosion seismology is the development of physical models for explaining the generation of S waves during underground explosions. Recent analysis of ground motion from chemical explosions during the Source Physics Experiment (Pitarka et al., 2015) suggests that, although a large component of shear motion was generated directly at the source, additional scattering from heterogeneous velocity structure and topography is necessary to better match the recorded data. In our paper, we used a stochastic representation of small-scale velocity variability to produce high-frequency scattering and to analyze its implication on shear-motion generation during underground explosions. In our stochasticmore » velocity model, the key parameters that affect scattering are the correlation length and the relative amplitude of velocity perturbations. Finally, based on finite-difference simulations of elastic wave propagation from an isotropic explosion source, we find that higher velocity perturbations result in larger shear motion, whereas the correlation length, which controls the scatterers size, affects the frequency range at which relative transverse motion is larger.« less

Generation of Shear Motion from an Isotropic Explosion Source by Scattering in Heterogeneous Media

DOE PAGES

Hirakawa, Evan; Pitarka, Arben; Mellors, Robert

2016-07-19

One challenging task in explosion seismology is the development of physical models for explaining the generation of S waves during underground explosions. Recent analysis of ground motion from chemical explosions during the Source Physics Experiment (Pitarka et al., 2015) suggests that, although a large component of shear motion was generated directly at the source, additional scattering from heterogeneous velocity structure and topography is necessary to better match the recorded data. In our paper, we used a stochastic representation of small-scale velocity variability to produce high-frequency scattering and to analyze its implication on shear-motion generation during underground explosions. In our stochasticmore » velocity model, the key parameters that affect scattering are the correlation length and the relative amplitude of velocity perturbations. Finally, based on finite-difference simulations of elastic wave propagation from an isotropic explosion source, we find that higher velocity perturbations result in larger shear motion, whereas the correlation length, which controls the scatterers size, affects the frequency range at which relative transverse motion is larger.« less

Non-perturbative modelling of energetic particle effects on resistive wall mode: Anisotropy and finite orbit width

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

Liu, Yueqiang, E-mail: yueqiang.liu@ccfe.ac.uk; Chapman, I. T.; Graves, J. P.

2014-05-15

A non-perturbative magnetohydrodynamic-kinetic hybrid formulation is developed and implemented into the MARS-K code [Liu et al., Phys. Plasmas 15, 112503 (2008)] that takes into account the anisotropy and asymmetry [Graves et al., Nature Commun. 3, 624 (2012)] of the equilibrium distribution of energetic particles (EPs) in particle pitch angle space, as well as first order finite orbit width (FOW) corrections for both passing and trapped EPs. Anisotropic models, which affect both the adiabatic and non-adiabatic drift kinetic energy contributions, are implemented for both neutral beam injection and ion cyclotron resonant heating induced EPs. The first order FOW correction does notmore » contribute to the precessional drift resonance of trapped particles, but generally remains finite for the bounce and transit resonance contributions, as well as for the adiabatic contributions from asymmetrically distributed passing particles. Numerical results for a 9MA steady state ITER plasma suggest that (i) both the anisotropy and FOW effects can be important for the resistive wall mode stability in ITER plasmas; and (ii) the non-perturbative approach predicts less kinetic stabilization of the mode, than the perturbative approach, in the presence of anisotropy and FOW effects for the EPs. The latter may partially be related to the modification of the eigenfunction of the mode by the drift kinetic effects.« less

Design of a spaceworthy adiabatic demagnetization refrigerator

NASA Technical Reports Server (NTRS)

Serlemitsos, A. T.; Kunes, E.; Sansebastian, M.

1992-01-01

A spaceworthy adiabatic demagnetization refrigerator (ADR) under development at NASA-Goddard is presented. A baseline model heat switch was tested extensively with an on/off ratio of about 10,000 and a parasitic heat leak of 10 micro-W. Data obtained from the breadboard models were used to design an ADR with improved structural integrity. The core of the ADR is the salt pill which consists of the paramagnetic salt crystal and the thermal bus. When a magnetic field is applied to the salt it forces the alignment of the magnetic moments, thereby decreasing the entropy of the salt. Preliminary tests results showed a net crystal mass of 680 g instead of the expected 740 g, which indicate that there are gaps in the salt pill. A partial fix was accomplished by sealing helium gas in the salt pill at a pressure of 2 bar, which improved the thermal contact during salt magnetization, at about 2 K.

Microscopic Description of Spontaneous Emission in Stark Chirped Rapid Adiabatic Passages

NASA Astrophysics Data System (ADS)

Shi, Xuan; Yuan, Hao; Zhao, Hong-Quan

2018-01-01

A microscopic approach describing the effect of spontaneous emission in the stark-chirped rapid adiabatic passages (SCRAPs) for quantum computation is presented. Apart from the phenomenological model, this microscopic one can investigate the dependence of the population dynamics both on the temperature of the environment and the decay rate γ. With flux-biased Josephson qubits as a specifical example, we study the efficiency of the SCRAP for realizing the basic Pauli-X and iSWAP gates. Our results show clearly that the behavior of the population transfer described by the microscopic model is similar with the phenomenological one at zero temperature. In the limit of very high temperature, the population probabilities of the qubit states exhibit strong stability properties. High efficiency for the quantum gate manipulations in SCRAPs is available against the weak decay rate γ ≪ 1 at low temperature.

Variational nonadiabatic dynamics in the moving crude adiabatic representation: Further merging of nuclear dynamics and electronic structure

NASA Astrophysics Data System (ADS)

Joubert-Doriol, Loïc; Izmaylov, Artur F.

2018-03-01

A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new approach is the elimination of any global or local model representation of electronic potential energy surfaces; instead, the electron-nuclear interaction is treated explicitly using the Gaussian integration. As a result, the new scheme does not introduce any uncontrolled approximations. The employed variational principle ensures the energy conservation and leaves the number of electronic and nuclear basis functions as the only parameter determining the accuracy. To assess performance of the approach, a model with two electronic and two nuclear spacial degrees of freedom containing conical intersections between potential energy surfaces has been considered. Dynamical features associated with nonadiabatic transitions and nontrivial geometric (or Berry) phases were successfully reproduced within a limited basis expansion.

Adiabatic photo-steering theory in topological insulators.

PubMed

Inoue, Jun-Ichi

2014-12-01

Feasible external control of material properties is a crucial issue in condensed matter physics. A new approach to achieving this aim, named adiabatic photo-steering, is reviewed. The core principle of this scheme is that several material constants are effectively turned into externally tunable variables by irradiation of monochromatic laser light. Two-dimensional topological insulators are selected as the optimal systems that exhibit a prominent change in their properties following the application of this method. Two specific examples of photo-steered quantum phenomena, which reflect topological aspects of the electronic systems at hand, are presented. One is the integer quantum Hall effect described by the Haldane model, and the other is the quantum spin Hall effect described by the Kane-Mele model. The topological quantities associated with these phenomena are the conventional Chern number and spin Chern number, respectively. A recent interesting idea, time-reversal symmetry breaking via a temporary periodic external stimulation, is also discussed.

Adiabatic photo-steering theory in topological insulators

NASA Astrophysics Data System (ADS)

Inoue, Jun-ichi

2014-12-01

Feasible external control of material properties is a crucial issue in condensed matter physics. A new approach to achieving this aim, named adiabatic photo-steering, is reviewed. The core principle of this scheme is that several material constants are effectively turned into externally tunable variables by irradiation of monochromatic laser light. Two-dimensional topological insulators are selected as the optimal systems that exhibit a prominent change in their properties following the application of this method. Two specific examples of photo-steered quantum phenomena, which reflect topological aspects of the electronic systems at hand, are presented. One is the integer quantum Hall effect described by the Haldane model, and the other is the quantum spin Hall effect described by the Kane-Mele model. The topological quantities associated with these phenomena are the conventional Chern number and spin Chern number, respectively. A recent interesting idea, time-reversal symmetry breaking via a temporary periodic external stimulation, is also discussed.

Adiabatic model and design of a translating field reversed configuration

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

Intrator, T. P.; Siemon, R. E.; Sieck, P. E.

We apply an adiabatic evolution model to predict the behavior of a field reversed configuration (FRC) during decompression and translation, as well as during boundary compression. Semi-empirical scaling laws, which were developed and benchmarked primarily for collisionless FRCs, are expected to remain valid even for the collisional regime of FRX-L experiment. We use this approach to outline the design implications for FRX-L, the high density translated FRC experiment at Los Alamos National Laboratory. A conical theta coil is used to accelerate the FRC to the largest practical velocity so it can enter a mirror bounded compression region, where it mustmore » be a suitable target for a magnetized target fusion (MTF) implosion. FRX-L provides the physics basis for the integrated MTF plasma compression experiment at the Shiva-Star pulsed power facility at Kirtland Air Force Research Laboratory, where the FRC will be compressed inside a flux conserving cylindrical shell.« less

Measurement of recovery temperature on an airfoil in the Langley 0.3-m transonic cryogenic tunnel

NASA Technical Reports Server (NTRS)

Johnson, C. B.; Adcock, J. B.

1981-01-01

Experimental measurements of recovery temperature were made on an airfoil in the Langley 0.3-m Transonic Cryogenic Tunnel at Mach numbers of 0.60 and 0.84 over a Reynolds number per meter range from about 15,000,000 to about 335,000,000. The measured recovery temperatures were considerably below those associated with ideal-gas ambient temperature wind tunnels. This difference was accentuated as the stagnation pressure increased and the total temperature decreased. A boundary-layer code modified for use with cryogenic nitrogen adequately predicted the measured adiabatic wall temperature at all conditions. A quantitative, on-line assessment of the nonadiabatic condition of a model can be made during the operation of a cryogenic wind tunnel by using a correlation for the adiabatic wall temperature which is only a function of total temperature, total pressure, and local Mach number on the model.

Communication: Multiple-property-based diabatization for open-shell van der Waals molecules

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

Karman, Tijs; Avoird, Ad van der; Groenenboom, Gerrit C., E-mail: gerritg@theochem.ru.nl

2016-03-28

We derive a new multiple-property-based diabatization algorithm. The transformation between adiabatic and diabatic representations is determined by requiring a set of properties in both representations to be related by a similarity transformation. This set of properties is determined in the adiabatic representation by rigorous electronic structure calculations. In the diabatic representation, the same properties are determined using model diabatic states defined as products of undistorted monomer wave functions. This diabatic model is generally applicable to van der Waals molecules in arbitrary electronic states. Application to locating seams of conical intersections and collisional transfer of electronic excitation energy is demonstrated formore » O{sub 2} − O{sub 2} in low-lying excited states. Property-based diabatization for this test system included all components of the electric quadrupole tensor, orbital angular momentum, and spin-orbit coupling.« less

Geometric curvature and phase of the Rabi model

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

Mao, Lijun; Huai, Sainan; Guo, Liping

2015-11-15

We study the geometric curvature and phase of the Rabi model. Under the rotating-wave approximation (RWA), we apply the gauge independent Berry curvature over a surface integral to calculate the Berry phase of the eigenstates for both single and two-qubit systems, which is found to be identical with the system of spin-1/2 particle in a magnetic field. We extend the idea to define a vacuum-induced geometric curvature when the system starts from an initial state with pure vacuum bosonic field. The induced geometric phase is related to the average photon number in a period which is possible to measure inmore » the qubit–cavity system. We also calculate the geometric phase beyond the RWA and find an anomalous sudden change, which implies the breakdown of the adiabatic theorem and the Berry phases in an adiabatic cyclic evolution are ill-defined near the anti-crossing point in the spectrum.« less

Source spectral variation and yield estimation for small, near-source explosions

NASA Astrophysics Data System (ADS)

Yoo, S.; Mayeda, K. M.

2012-12-01

Significant S-wave generation is always observed from explosion sources which can lead to difficulty in discriminating explosions from natural earthquakes. While there are numerous S-wave generation mechanisms that are currently the topic of significant research, the mechanisms all remain controversial and appear to be dependent upon the near-source emplacement conditions of that particular explosion. To better understand the generation and partitioning of the P and S waves from explosion sources and to enhance the identification and discrimination capability of explosions, we investigate near-source explosion data sets from the 2008 New England Damage Experiment (NEDE), the Humble-Redwood (HR) series of explosions, and a Massachusetts quarry explosion experiment. We estimate source spectra and characteristic source parameters using moment tensor inversions, direct P and S waves multi-taper analysis, and improved coda spectral analysis using high quality waveform records from explosions from a variety of emplacement conditions (e.g., slow/fast burning explosive, fully tamped, partially tamped, single/ripple-fired, and below/above ground explosions). The results from direct and coda waves are compared to theoretical explosion source model predictions. These well-instrumented experiments provide us with excellent data from which to document the characteristic spectral shape, relative partitioning between P and S-waves, and amplitude/yield dependence as a function of HOB/DOB. The final goal of this study is to populate a comprehensive seismic source reference database for small yield explosions based on the results and to improve nuclear explosion monitoring capability.

A unifying model for non-adiabatic coupling at metallic surfaces beyond the local harmonic approximation: From vibrational relaxation to scanning tunneling microscopy

NASA Astrophysics Data System (ADS)

Tremblay, Jean Christophe

2013-06-01

A model for treating excitation and relaxation of adsorbates at metallic surfaces induced by non-adiabatic coupling is developed. The derivation is based on the concept of resonant electron transfer, where the adsorbate serves as a molecular bridge for the inelastic transition between an electron source and a sink. In this picture, energy relaxation and scanning tunneling microscopy (STM) at metallic surfaces are treated on an equal footing as a quasi-thermal process. The model goes beyond the local harmonic approximation and allows for an unbiased description of floppy systems with multiple potential wells. Further, the limitation of the product ansatz for the vibronic wave function to include the position-dependence of the non-adiabatic couplings is avoided by explicitly enforcing detailed balance. The theory is applied to the excitation of hydrogen on palladium, which has multiple local potential minima connected by low energy barriers. The main aspects investigated are the lifetimes of adsorbate vibrations in different adsorption sites, as well as the dependence of the excitation, response, and transfer rates on an applied potential bias. The excitation and relaxation simulations reveal intricate population dynamics that depart significantly from the simplistic tunneling model in a truncated harmonic potential. In particular, the population decay from an initially occupied local minimum induced by the contact with an STM tip is found to be better described by a double exponential. The two rates are interpreted as a response to the system perturbation and a transfer rate following the perturbation. The transfer rate is found to obey a power law, as was the case in previous experimental and theoretical work.

A closed-form analytical model for predicting 3D boundary layer displacement thickness for the validation of viscous flow solvers

NASA Astrophysics Data System (ADS)

Kumar, V. R. Sanal; Sankar, Vigneshwaran; Chandrasekaran, Nichith; Saravanan, Vignesh; Natarajan, Vishnu; Padmanabhan, Sathyan; Sukumaran, Ajith; Mani, Sivabalan; Rameshkumar, Tharikaa; Nagaraju Doddi, Hema Sai; Vysaprasad, Krithika; Sharan, Sharad; Murugesh, Pavithra; Shankar, S. Ganesh; Nejaamtheen, Mohammed Niyasdeen; Baskaran, Roshan Vignesh; Rahman Mohamed Rafic, Sulthan Ariff; Harisrinivasan, Ukeshkumar; Srinivasan, Vivek

2018-02-01

A closed-form analytical model is developed for estimating the 3D boundary-layer-displacement thickness of an internal flow system at the Sanal flow choking condition for adiabatic flows obeying the physics of compressible viscous fluids. At this unique condition the boundary-layer blockage induced fluid-throat choking and the adiabatic wall-friction persuaded flow choking occur at a single sonic-fluid-throat location. The beauty and novelty of this model is that without missing the flow physics we could predict the exact boundary-layer blockage of both 2D and 3D cases at the sonic-fluid-throat from the known values of the inlet Mach number, the adiabatic index of the gas and the inlet port diameter of the internal flow system. We found that the 3D blockage factor is 47.33 % lower than the 2D blockage factor with air as the working fluid. We concluded that the exact prediction of the boundary-layer-displacement thickness at the sonic-fluid-throat provides a means to correctly pinpoint the causes of errors of the viscous flow solvers. The methodology presented herein with state-of-the-art will play pivotal roles in future physical and biological sciences for a credible verification, calibration and validation of various viscous flow solvers for high-fidelity 2D/3D numerical simulations of real-world flows. Furthermore, our closed-form analytical model will be useful for the solid and hybrid rocket designers for the grain-port-geometry optimization of new generation single-stage-to-orbit dual-thrust-motors with the highest promising propellant loading density within the given envelope without manifestation of the Sanal flow choking leading to possible shock waves causing catastrophic failures.

Standing shocks in a two-fluid solar wind

NASA Technical Reports Server (NTRS)

Habbal, Shadia R.; Hu, You Qiu; Esser, Ruth

1994-01-01

We present a numerical study of the formation of standing shocks in the solar wind using a two-fluid time-dependent model in the presence of Alfven waves. Included in this model is the adiabatic cooling and thermal conduction of both electrons and protons. In this study, standing shocks develop in the flow when additional critical points form as a result of either localized momentum addition or rapid expansion of the flow tube below the existing sonic point. While the flow speed and density exhibit the same characteristics as found in earlier studies of the formation of standing shocks, the inclusion of electron and proton heat conduction produces different signatures in the electron and proton temperature profiles across the shock layer. Owing to the strong heat conduction, the electron temperature is nearly continuous across the shock, but its gradient has a negative jump across it, thus producing a net heat flux out of the shock layer. The proton temperature exhibits the same characteristics for shocks produced by momentum addition but behaves differently when the shock is formed by the rapid divergence of the flow tube. The adiabatic cooling in a rapidly diverging flow tube reduces the proton temperature so substantially that the proton heat conduction becomes negligible in the vicinity of the shock. As a result, protons experience a positive jump in temperature across the shock. While Alfven waves do not affect the formation of standing shocks, they contribute to the change of the mmomentum and energy balance across them. We also find that for this solar wind model the inclusion of thermal conduction and adiabatic cooling for the elctrons and protons increases significantly the range of parameters characterizing the formation of standing shocks over those previously found for isothermal and polytropic models.

Upon the reconstruction of accidents triggered by tire explosion. Analytical model and case study

NASA Astrophysics Data System (ADS)

Gaiginschi, L.; Agape, I.; Talif, S.

2017-10-01

Accident Reconstruction is important in the general context of increasing road traffic safety. In the casuistry of traffic accidents, those caused by tire explosions are critical under the severity of consequences, because they are usually happening at high speeds. Consequently, the knowledge of the running speed of the vehicle involved at the time of the tire explosion is essential to elucidate the circumstances of the accident. The paper presents an analytical model for the kinematics of a vehicle which, after the explosion of one of its tires, begins to skid, overturns and rolls. The model consists of two concurent approaches built as applications of the momentum conservation and energy conservation principles, and allows determination of the initial speed of the vehicle involved, by running backwards the sequences of the road event. The authors also aimed to both validate the two distinct analytical approaches by calibrating the calculation algorithms on a case study

Estimating explosion properties of normal hydrogen-rich core-collapse supernovae

NASA Astrophysics Data System (ADS)

Pejcha, Ondrej

2017-08-01

Recent parameterized 1D explosion models of hundreds of core-collapse supernova progenitors suggest that success and failure are intertwined in a complex pattern that is not a simple function of the progenitor initial mass. This rugged landscape is present also in other explosion properties, allowing for quantitative tests of the neutrino mechanism from observations of hundreds of supernovae discovered every year. We present a new self-consistent and versatile method that derives photospheric radius and temperature variations of normal hydrogen-rich core-collapse supernovae based on their photometric measurements and expansion velocities. We construct SED and bolometric light curves, determine explosion energies, ejecta and nickel masses while taking into account all uncertainties and covariances of the model. We describe the efforts to compare the inferences to the predictions of the neutrino mechanim. The model can be adapted to include more physical assumptions to utilize primarily photometric data coming from surveys such as LSST.

Modeling shock responses of plastic bonded explosives using material point method

NASA Astrophysics Data System (ADS)

Shang, Hailin; Zhao, Feng; Fu, Hua

2017-01-01

Shock responses of plastic bonded explosives are modeled using material point method as implemented in the Uintah Computational Framework. Two-dimensional simulation model was established based on the micrograph of PBX9501. Shock loading for the explosive was performed by a piston moving at a constant velocity. Unreactive simulation results indicate that under shock loading serious plastic strain appears on the boundary of HMX grains. Simultaneously, the plastic strain energy transforms to thermal energy, causing the temperature to rise rapidly on grain boundary areas. The influence of shock strength on the responses of explosive was also investigated by increasing the piston velocity. And the results show that with increasing shock strength, the distribution of plastic strain and temperature does not have significant changes, but their values increase obviously. Namely, the higher the shock strength is, the higher the temperature rise will be.

ON THE IMPORTANCE OF THE EQUATION OF STATE FOR THE NEUTRINO-DRIVEN SUPERNOVA EXPLOSION MECHANISM

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

Suwa, Yudai; Takiwaki, Tomoya; Kotake, Kei

2013-02-10

By implementing the widely used equations of state (EOS) from Lattimer and Swesty (LS) and H. Shen et al. (SHEN) in core-collapse supernova simulations, we explore possible impacts of these EOS on the post-bounce dynamics prior to the onset of neutrino-driven explosions. Our spherically symmetric (1D) and axially symmetric (2D) models are based on neutrino radiation hydrodynamics including spectral transport, which is solved by the isotropic diffusion source approximation. We confirm that in 1D simulations neutrino-driven explosions cannot be obtained for any of the employed EOS. Impacts of the EOS on the post-bounce hydrodynamics are more clearly visible in 2Dmore » simulations. In 2D models of a 15 M {sub Sun} progenitor using the LS EOS, the stalled bounce shock expands to increasingly larger radii, which is not the case when using the SHEN EOS. Keeping in mind that the omission of the energy drain by heavy-lepton neutrinos in the present scheme could facilitate explosions, we find that 2D models of an 11.2 M {sub Sun} progenitor produce neutrino-driven explosions for all the EOS under investigation. Models using the LS EOS are slightly more energetic compared with those with the SHEN EOS. The more efficient neutrino heating in the LS models coincides with a higher electron antineutrino luminosity and a larger mass that is enclosed within the gain region. The models based on the LS EOS also show a more vigorous and aspherical downflow of accreting matter to the surface of the protoneutron star (PNS). The accretion pattern is essential for the production and strength of outgoing pressure waves, which can push in turn the shock to larger radii and provide more favorable conditions for the explosion. Based on our models, we investigate several diagnostic indicators of the explosion that have been suggested in the literature, e.g., the amplitude of the standing accretion shock instability mode, the mass-weighted average entropy in the gain region, the PNS radius, the antesonic condition, the ratio of advection and heating timescales, the neutrino heating efficiency, and the growth parameter of convection.« less

The Adiabatic Invariance of the Action Variable in Classical Dynamics

ERIC Educational Resources Information Center

Wells, Clive G.; Siklos, Stephen T. C.

2007-01-01

We consider one-dimensional classical time-dependent Hamiltonian systems with quasi-periodic orbits. It is well known that such systems possess an adiabatic invariant which coincides with the action variable of the Hamiltonian formalism. We present a new proof of the adiabatic invariance of this quantity and illustrate our arguments by means of…

Geometry of the Adiabatic Theorem

ERIC Educational Resources Information Center

Lobo, Augusto Cesar; Ribeiro, Rafael Antunes; Ribeiro, Clyffe de Assis; Dieguez, Pedro Ruas

2012-01-01

We present a simple and pedagogical derivation of the quantum adiabatic theorem for two-level systems (a single qubit) based on geometrical structures of quantum mechanics developed by Anandan and Aharonov, among others. We have chosen to use only the minimum geometric structure needed for the understanding of the adiabatic theorem for this case.…

MODELING SNR CASSIOPEIA A FROM THE SUPERNOVA EXPLOSION TO ITS CURRENT AGE: THE ROLE OF POST-EXPLOSION ANISOTROPIES OF EJECTA

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

Orlando, S.; Miceli, M.; Pumo, M. L.

The remnants of core-collapse supernovae (SNe) have complex morphologies that may reflect asymmetries and structures developed during the progenitor SN explosion. Here we investigate how the morphology of the supernova remnant Cassiopeia A (Cas A) reflects the characteristics of the progenitor SN with the aim of deriving the energies and masses of the post-explosion anisotropies responsible for the observed spatial distribution of Fe and Si/S. We model the evolution of Cas A from the immediate aftermath of the progenitor SN to the three-dimensional interaction of the remnant with the surrounding medium. The post-explosion structure of the ejecta is described bymore » small-scale clumping of material and larger-scale anisotropies. The hydrodynamic multi-species simulations consider an appropriate post-explosion isotopic composition of the ejecta. The observed average expansion rate and shock velocities can be well reproduced by models with ejecta mass M {sub ej} ≈ 4 M {sub ⊙} and explosion energy E {sub SN} ≈ 2.3 × 10{sup 51} erg. The post-explosion anisotropies (pistons) reproduce the observed distributions of Fe and Si/S if they had a total mass of ≈0.25 M {sub ⊙} and a total kinetic energy of ≈1.5 × 10{sup 50} erg. The pistons produce a spatial inversion of ejecta layers at the epoch of Cas A, leading to the Si/S-rich ejecta physically interior to the Fe-rich ejecta. The pistons are also responsible for the development of the bright rings of Si/S-rich material which form at the intersection between the reverse shock and the material accumulated around the pistons during their propagation. Our result supports the idea that the bulk of asymmetries observed in Cas A are intrinsic to the explosion.« less

Ascertaining the impact of catastrophic events on dengue outbreak: The 2014 gas explosions in Kaohsiung, Taiwan.

PubMed

Hsieh, Ying-Hen

2017-01-01

Infectious disease outbreaks often occur in the aftermath of catastrophic events, either natural or man-made. While natural disasters such as typhoons/hurricanes, flooding and earthquakes have been known to increase the risk of infectious disease outbreak, the impact of anthropogenic disasters is less well-understood. Kaohsiung City is located in southern Taiwan, where most dengue outbreaks had occurred in the past two decades. It is also the center of petrochemical industry in Taiwan with pipelines running underneath city streets. Multiple underground gas explosions occurred in Kaohsiung in the evening of July 31, 2014 due to chemical leaks in the pipelines. The explosions caused 32 deaths, including five firefighters and two volunteer firefighters, and injured 321 persons. Historically, dengue outbreaks in southern Taiwan occurred mostly in small numbers of around 2000 cases or less, except in 2002 with over 5000 cases. However, in the months after the gas explosions, the city reported 14528 lab-confirmed dengue cases from August to December. To investigate the possible impact, if any, of the gas explosions on this record-breaking dengue outbreak, a simple mathematical model, the Richards model, is utilized to study the temporal patterns of the spread of dengue in the districts of Kaohsiung in the proximity of the explosion sites and to pinpoint the waves of infections that had occurred in each district in the aftermath of the gas explosions. The reproduction number of each wave in each district is also computed. In the aftermath of the gas explosions, early waves occurred 4-5 days (which coincides with the minimum of human intrinsic incubation period for dengue) later in districts with multiple waves. The gas explosions likely impacted the timing of the waves, but their impact on the magnitude of the 2014 outbreak remains unclear. The modeling suggests the need for public health surveillance and preparedness in the aftermath of future disasters.

Ascertaining the impact of catastrophic events on dengue outbreak: The 2014 gas explosions in Kaohsiung, Taiwan

PubMed Central

2017-01-01

Infectious disease outbreaks often occur in the aftermath of catastrophic events, either natural or man-made. While natural disasters such as typhoons/hurricanes, flooding and earthquakes have been known to increase the risk of infectious disease outbreak, the impact of anthropogenic disasters is less well-understood. Kaohsiung City is located in southern Taiwan, where most dengue outbreaks had occurred in the past two decades. It is also the center of petrochemical industry in Taiwan with pipelines running underneath city streets. Multiple underground gas explosions occurred in Kaohsiung in the evening of July 31, 2014 due to chemical leaks in the pipelines. The explosions caused 32 deaths, including five firefighters and two volunteer firefighters, and injured 321 persons. Historically, dengue outbreaks in southern Taiwan occurred mostly in small numbers of around 2000 cases or less, except in 2002 with over 5000 cases. However, in the months after the gas explosions, the city reported 14528 lab-confirmed dengue cases from August to December. To investigate the possible impact, if any, of the gas explosions on this record-breaking dengue outbreak, a simple mathematical model, the Richards model, is utilized to study the temporal patterns of the spread of dengue in the districts of Kaohsiung in the proximity of the explosion sites and to pinpoint the waves of infections that had occurred in each district in the aftermath of the gas explosions. The reproduction number of each wave in each district is also computed. In the aftermath of the gas explosions, early waves occurred 4–5 days (which coincides with the minimum of human intrinsic incubation period for dengue) later in districts with multiple waves. The gas explosions likely impacted the timing of the waves, but their impact on the magnitude of the 2014 outbreak remains unclear. The modeling suggests the need for public health surveillance and preparedness in the aftermath of future disasters. PMID:28520740

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

NASA Astrophysics Data System (ADS)

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

2001-11-01

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

A conservative scheme of drift kinetic electrons for gyrokinetic simulation of kinetic-MHD processes in toroidal plasmas

NASA Astrophysics Data System (ADS)

Bao, J.; Liu, D.; Lin, Z.

2017-10-01

A conservative scheme of drift kinetic electrons for gyrokinetic simulations of kinetic-magnetohydrodynamic processes in toroidal plasmas has been formulated and verified. Both vector potential and electron perturbed distribution function are decomposed into adiabatic part with analytic solution and non-adiabatic part solved numerically. The adiabatic parallel electric field is solved directly from the electron adiabatic response, resulting in a high degree of accuracy. The consistency between electrostatic potential and parallel vector potential is enforced by using the electron continuity equation. Since particles are only used to calculate the non-adiabatic response, which is used to calculate the non-adiabatic vector potential through Ohm's law, the conservative scheme minimizes the electron particle noise and mitigates the cancellation problem. Linear dispersion relations of the kinetic Alfvén wave and the collisionless tearing mode in cylindrical geometry have been verified in gyrokinetic toroidal code simulations, which show that the perpendicular grid size can be larger than the electron collisionless skin depth when the mode wavelength is longer than the electron skin depth.

Cassiopeia A: Supernova explosion and expansion simulations under strong asymmetry conditions

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

Yakhin, R. A., E-mail: yakhin.rafael@gmail.com; Rozanov, V. B.; Zmitrenko, N. V.

We propose a model for the explosion of a supernova and the expansion of its ejecta in the presence of a strong initial asymmetry (at the explosion time) in the central part of the star (core) and a possible smallscale asymmetry in the peripheral regions. The Chandra and NuSTAR observations of ejecta in the Cassiopeia A supernova remnant are analyzed. Based on our 1D and 2D numerical simulations performed using the DIANA and NUTCY codes, we propose a model for the explosion and expansion of ejecta that explains the observed experimental data where the materials initially located in the centralmore » region of the star end up on the periphery of the cloud of ejecta.« less

Computer model of catalytic combustion/Stirling engine heater head

NASA Technical Reports Server (NTRS)

Chu, E. K.; Chang, R. L.; Tong, H.

1981-01-01

The basic Acurex HET code was modified to analyze specific problems for Stirling engine heater head applications. Specifically, the code can model: an adiabatic catalytic monolith reactor, an externally cooled catalytic cylindrical reactor/flat plate reactor, a coannular tube radiatively cooled reactor, and a monolithic reactor radiating to upstream and downstream heat exchangers.

Effects of a wavy neutral sheet on cosmic ray anisotropies

NASA Technical Reports Server (NTRS)

Kota, J.; Jokipii, J. R.

1985-01-01

The first results of a three-dimensional numerical code calculating cosmic ray anisotropies is presented. The code includes diffusion, convection, adiabatic cooling, and drift in an interplanetary magnetic field model containing a wavy neutral sheet. The 3-D model can reproduce all the principal observations for a reasonable set of parameters.

Explosive cyclones in CMIP5 climate models

NASA Astrophysics Data System (ADS)

Seiler, C.; Zwiers, F. W.

2014-12-01

Explosive cyclones are rapidly intensifying low pressure systems with severe wind speeds and precipitation, affecting livelihoods and infrastructure primarily in coastal and marine environments. A better understanding of the potential impacts of climate change on these so called meteorological bombs is therefore of great societal relevance. This study evaluates how well CMIP5 climate models reproduce explosive cyclones in the extratropics of the northern hemisphere, and how these bombs respond to global warming. For this purpose an objective-feature tracking algorithm was used to identify and track extratropical cyclones from 25 CMIP5 models and 3 reanalysis products for the periods 1980 to 2005 and 2070 to 2099. Cyclones were identified as the maxima of T42 vorticity of 6h wind speed at 850 hPa. Explosive and non-explosive cyclones were separated based on the corresponding deepening rates of mean sea level pressure. Most models accurately reproduced the spatial distribution of bombs when compared to results from reanalysis data (R2 = 0.84, p-value = 0.00), with high frequencies along the Kuroshio Current and the Gulf Stream, as well as the exit regions of the polar jet streaks. Most models however significantly underestimated bomb frequencies by a third on average, and by 74% in the most extreme case. This negative frequency bias coincided with significant underestimations of either meridional sea surface temperature (SST) gradients, or wind speeds of the polar jet streaks. Bomb frequency biases were significantly correlated with the number vertical model levels (R2= 0.36, p-value = 0.001), suggesting that the vertical atmospheric model resolution is crucial for simulating bomb frequencies accurately. The impacts of climate change on the location, frequency, and intensity of explosive cyclones were then explored for the Representative Concentration Pathway 8.5. Projections were related to model bias, resolution, projected changes of SST gradients, and wind speeds of the polar jet stream.

Superadiabatic Controlled Evolutions and Universal Quantum Computation.

PubMed

Santos, Alan C; Sarandy, Marcelo S

2015-10-29

Adiabatic state engineering is a powerful technique in quantum information and quantum control. However, its performance is limited by the adiabatic theorem of quantum mechanics. In this scenario, shortcuts to adiabaticity, such as provided by the superadiabatic theory, constitute a valuable tool to speed up the adiabatic quantum behavior. Here, we propose a superadiabatic route to implement universal quantum computation. Our method is based on the realization of piecewise controlled superadiabatic evolutions. Remarkably, they can be obtained by simple time-independent counter-diabatic Hamiltonians. In particular, we discuss the implementation of fast rotation gates and arbitrary n-qubit controlled gates, which can be used to design different sets of universal quantum gates. Concerning the energy cost of the superadiabatic implementation, we show that it is dictated by the quantum speed limit, providing an upper bound for the corresponding adiabatic counterparts.

Superadiabatic Controlled Evolutions and Universal Quantum Computation

PubMed Central

Santos, Alan C.; Sarandy, Marcelo S.

2015-01-01

Adiabatic state engineering is a powerful technique in quantum information and quantum control. However, its performance is limited by the adiabatic theorem of quantum mechanics. In this scenario, shortcuts to adiabaticity, such as provided by the superadiabatic theory, constitute a valuable tool to speed up the adiabatic quantum behavior. Here, we propose a superadiabatic route to implement universal quantum computation. Our method is based on the realization of piecewise controlled superadiabatic evolutions. Remarkably, they can be obtained by simple time-independent counter-diabatic Hamiltonians. In particular, we discuss the implementation of fast rotation gates and arbitrary n-qubit controlled gates, which can be used to design different sets of universal quantum gates. Concerning the energy cost of the superadiabatic implementation, we show that it is dictated by the quantum speed limit, providing an upper bound for the corresponding adiabatic counterparts. PMID:26511064

DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B)

NASA Astrophysics Data System (ADS)

Humeniuk, Alexander; Mitrić, Roland

2017-12-01

A software package, called DFTBaby, is published, which provides the electronic structure needed for running non-adiabatic molecular dynamics simulations at the level of tight-binding DFT. A long-range correction is incorporated to avoid spurious charge transfer states. Excited state energies, their analytic gradients and scalar non-adiabatic couplings are computed using tight-binding TD-DFT. These quantities are fed into a molecular dynamics code, which integrates Newton's equations of motion for the nuclei together with the electronic Schrödinger equation. Non-adiabatic effects are included by surface hopping. As an example, the program is applied to the optimization of excited states and non-adiabatic dynamics of polyfluorene. The python and Fortran source code is available at http://www.dftbaby.chemie.uni-wuerzburg.de.

Models for Type Ia Supernovae and Related Astrophysical Transients

NASA Astrophysics Data System (ADS)

Röpke, Friedrich K.; Sim, Stuart A.

2018-06-01

We give an overview of recent efforts to model Type Ia supernovae and related astrophysical transients resulting from thermonuclear explosions in white dwarfs. In particular we point out the challenges resulting from the multi-physics multi-scale nature of the problem and discuss possible numerical approaches to meet them in hydrodynamical explosion simulations and radiative transfer modeling. We give examples of how these methods are applied to several explosion scenarios that have been proposed to explain distinct subsets or, in some cases, the majority of the observed events. In case we comment on some of the successes and shortcoming of these scenarios and highlight important outstanding issues.

Nonlinear response and bistability of driven ion acoustic waves

NASA Astrophysics Data System (ADS)

Akbari-Moghanjoughi, M.

2017-08-01

The hydrodynamic model is used to obtain a generalized pseudoforce equation through which the nonlinear response of periodically driven ion acoustic waves is studied in an electron-ion plasma with isothermal and adiabatic ion fluids. The pseudotime series, corresponding to different driving frequencies, indicates that nonlinearity effects appear more strongly for smaller frequency values. The existence of extra harmonic resonances in the nonlinear amplitude spectrum is a clear indication of the interaction of an external force with harmonic components of the nonlinear ion acoustic waves. It is shown that many plasma parameters significantly and differently affect the nonlinear resonance spectrum of ion acoustic excitations. A heuristic but accurate model for the foldover effect is used which quite satisfactorily predicts the bistability of driven plasma oscillations. It is remarked that the characteristic resonance peak of isothermal ion plasma oscillations appears at lower frequencies but is stronger compared to that of adiabatic ions. Comparison of the exact numerical results for fully nonlinear and approximate (weakly nonlinear) models indicates that a weakly nonlinear model exaggerates the hysteresis and jump phenomenon for higher values of the external force amplitude.

Mushy zone modeling

NASA Astrophysics Data System (ADS)

Glicksman, Martin E.; Smith, Richard N.; Marsh, Steven P.; Kuklinski, Robert

A key element of mushy zone modeling is the description of the microscopic evolution of the lengthscales within the mushy zone and the influence of macroscopic transport processes. This paper describes some recent progress in developing a mean-field statistical theory of phase coarsening in adiabatic mushy zones. The main theoretical predictions are temporal scaling laws that indicate that average lengthscale increases as time 1/3, a self-similar distribution of mushy zone lengthscales based on spherical solid particle shapes, and kinetic rate constants which provide the dependences of the coarsening process on material parameters and the volume fraction of the solid phase. High precision thermal decay experiments are described which verify aspects of the theory in pure material mushy zones held under adiabatic conditions. The microscopic coarsening theory is then integrated within a macroscopic heat transfer model of one-dimensional alloy solidification, using the Double Integral Method. The method demonstrates an ability to predict the influence of macroscopic heat transfer on the evolution of primary and secondary dendrite arm spacings in Al-Cu alloys. Finally, some suggestions are made for future experimental and theoretical studies required in developing comprehensive solidification processing models.

Depicting mass flow rate of R134a /LPG refrigerant through straight and helical coiled adiabatic capillary tubes of vapor compression refrigeration system using artificial neural network approach

NASA Astrophysics Data System (ADS)

Gill, Jatinder; Singh, Jagdev

2018-07-01

In this work, an experimental investigation is carried out with R134a and LPG refrigerant mixture for depicting mass flow rate through straight and helical coil adiabatic capillary tubes in a vapor compression refrigeration system. Various experiments were conducted under steady-state conditions, by changing capillary tube length, inner diameter, coil diameter and degree of subcooling. The results showed that mass flow rate through helical coil capillary tube was found lower than straight capillary tube by about 5-16%. Dimensionless correlation and Artificial Neural Network (ANN) models were developed to predict mass flow rate. It was found that dimensionless correlation and ANN model predictions agreed well with experimental results and brought out an absolute fraction of variance of 0.961 and 0.988, root mean square error of 0.489 and 0.275 and mean absolute percentage error of 4.75% and 2.31% respectively. The results suggested that ANN model shows better statistical prediction than dimensionless correlation model.

Core-collapse supernova simulations

NASA Astrophysics Data System (ADS)

Mueller, Bernhard

2017-01-01

Core-collapse supernovae, the deaths of massive stars, are among the most spectacular phenomena in astrophysics: Not only can supernovae outshine their host galaxy for weeks; they are also laboratories for the behavior of matter at supranuclear densities, and one of the few environments where collective neutrino effects can become important. Moreover, supernovae play a central role in the cosmic matter cycle, e.g., as the dominant producers of oxygen in the Universe. Yet the mechanism by which massive stars explode has eluded us for decades, partly because classical astronomical observations across the electromagnetic spectrum cannot directly probe the supernovae ``engine''. Numerical simulations are thus our primary tool for understanding the explosion mechanism(s) of massive stars. Rigorous modeling needs to take a host of important physical ingredients into account, such as the emission and partial reabsorption of neutrinos from the young proto-neutron star, multi-dimensional fluid motions, general relativistic gravity, the equation of state of nuclear matter, and magnetic fields. This is a challenging multi-physics problem that has not been fully solved yet. Nonetheless, as I shall argue in this talk, recent first-principle 3D simulations have gone a long way towards demonstrating the viability of the most popular explosion scenario, the ``neutrino-driven mechanism''. Focusing on successful explosion models of the MPA-QUB-Monash collaboration, I will discuss possible requirements for robust explosions across a wide range of progenitors, such as accurate neutrino opacities, stellar rotation, and seed asymmetries from convective shell burning. With the advent of successful explosion models, supernova theory can also be confronted with astronomical observations. I will show that recent 3D models come closer to matching observed explosion parameters (explosion energies, neutron star kicks) than older 2D models, although there are still discrepancies. This work has been supported by the ARC (grant DE150101145), NSF (PHY-1430152, JINA-CEE) and the supercomputing centers/initiatives NCI, Pawsey, and DiRAC.

Numerical and experimental study of thermal explosions in LX-10 and PBX 9501: Influence of thermal damage on deflagration processes

NASA Astrophysics Data System (ADS)

Tringe, J. W.; Kercher, J. R.; Springer, H. K.; Glascoe, E. A.; Levie, H. W.; Hsu, P.; Willey, T. M.; Molitoris, J. D.

2013-07-01

We employ in-situ flash x-ray imaging, together with a detailed multiphase convective burn model, to demonstrate how explosives' binder characteristics influence the burning processes in thermal explosions. Our study focuses on the HMX-based explosives LX-10 and PBX 9501. While the HMX (cyclotetramethylene-tetranitramine) crystallite size distributions for these two explosives are nearly identical before heating, our experiments and simulations indicate that after heating, variations result due to differences in binder composition. Post-ignition flash x-ray images reveal that the average density decreases at late times more rapidly in PBX 9501 than LX-10, suggesting a faster conductive burning rate in PBX-9501. Heated permeability measurements in LX-10 and PBX 9501 demonstrate that the binder system characteristics influence the evolution of connected porosity. Once ignited, connected porosity provides pathways for product gas heating ahead of the reaction front and additional surface area for burning, facilitating the transition from conductive to convective burning modes. A multiphase convective burn model implemented in the ALE3D code is used to better understand the influence on burn rates of material properties such as porosity and effective thermally damaged particle size. In this context, particles are defined as gas-impermeable binder-coated crystallites and agglomerations with a set of effective radii reff. Model results demonstrate quantitative agreement with containment wall velocity for confined PBX 9501 and LX-10, and qualitative agreement with density as a function of position in the burning explosive. The model predicts a decrease in post-ignition containment wall velocity with larger radii in reff. These experimental data and model results together provide insight into the initiation and propagation of the reaction wave that defines the convective burn front in HMX-based explosives, a necessary step toward predicting violence under a broad range of conditions.

Electron cyclotron thruster new modeling results preparation for initial experiments

NASA Technical Reports Server (NTRS)

Hooper, E. Bickford

1993-01-01

The following topics are discussed: a whistler-based electron cyclotron resonance heating (ECRH) thruster; cross-field coupling in the helicon approximation; wave propagation; wave structure; plasma density; wave absorption; the electron distribution function; isothermal and adiabatic plasma flow; ECRH thruster modeling; a PIC code model; electron temperature; electron energy; and initial experimental tests. The discussion is presented in vugraph form.

Radiation and phase change of lithium fluoride in an annulus

NASA Technical Reports Server (NTRS)

Lund, Kurt O.

1993-01-01

A one-dimensional thermal model is developed to evaluate the effect of radiation on the phase change of lithium-fluoride (LiF) in an annular canister under gravitational and microgravitational conditions. Specified heat flux at the outer wall of the canister models focused solar flux; adiabatic and convective conditions are considered for the inner wall. A two-band radiation model is used for the combined-mode heat transfer within the canister, and LiF optical properties relate metal surface properties in vacuum to those in LiF. For axial gravitational conditions, the liquid LiF remains in contact with the two bounding walls, whereas a void gap is used at the outer wall to model possible microgravitational conditions. For the adiabatic cases, exact integrals are obtained for the time required for complete melting of the LiF. Melting was found to occur primarily from the outer wall in the 1-g model, whereas it occurred primarily from the inner wall in the mu-g model. For the convective cases, partially melted steady-state conditions and fully melted conditions are determined to depend on the source flux level, with radiation extending the melting times.

Determination of detonation wave boundary angles via hydrocode simulations using CREST

NASA Astrophysics Data System (ADS)

Whitworth, N. J.; Childs, M.

2017-01-01

A key input parameter to Detonation Shock Dynamics models is the angle that the propagating detonation wave makes with the charge edge. This is commonly referred to as the boundary angle, and is a property of the explosive/confiner material combination. Such angles can be determined: (i) experimentally from measured detonation wave-shapes, (ii) theoretically, or (iii) via hydrocode simulations using a reactive burn model. Of these approaches: (i) is difficult because of resolution, (ii) breaks down for certain configurations, while (iii) requires a well validated model. In this paper, the CREST reactive burn model, which has previously been successful in modelling a wide range of explosive phenomena, is used to simulate recent Detonation Confinement Sandwich Tests conducted at LANL using the insensitive high explosive PBX 9502. Simulated detonation wave-shapes in PBX 9502 for a number of different confiner materials and combinations closely match those recorded from the experiments. Boundary angles were subsequently extracted from the simulated results via a wave-shape analysis toolkit. The results shown demonstrate the usefulness of CREST in determining detonation wave boundary angles for a range of explosive/confiner material combinations.

Using Underwater Explosion and Cylinder Expansion Tests to Calibrate Afterburn Models for Aluminized Explosives

NASA Astrophysics Data System (ADS)

Wedberg, Rasmus

2017-06-01

The study explores the combined use of underwater performance tests and cylinder expansion tests in order to parameterize detonation models for aluminized explosives which exhibit afterburning. The approach is suggested to be used in conjunction with thermochemical computation. A formulation containing RDX and aluminum powder is considered and several charges with varying masses are submerged and detonated. Pressure gauges are employed at horizontal distances scaling with the charge diameter, and the specific shock wave energy is shown to increase with charge mass. This is attributed to the combustion of aluminum particles after the Chapman-Jouguet plane. Cylinder expansion tests are carried out using Photon Doppler Velocimetry to register the wall expansion velocity. The tests are modeled using a multi-material arbitrary Lagrangian-Eulerian approach with the Guirguis-Miller model describing detonation with afterburning. The equation of state and afterburn rate law parameters are adjusted such that the model reproduces the results from the cylinder expansion and underwater tests. The approach seems promising, and might be valuable for aluminized explosive formulations intended to be used in a variety of confinement conditions. Swedish Armed Forces.

Molecular dynamics calculation on structures, stabilities, mechanical properties, and energy density of CL-20/FOX-7 cocrystal explosives.

PubMed

Hang, Gui-Yun; Yu, Wen-Li; Wang, Tao; Wang, Jin-Tao; Li, Zhen

2017-11-30

In this article, different CL-20/FOX-7 cocrystal models were established by the substitution method based on the molar ratios of CL-20:FOX-7. The structures and comprehensive properties, including mechanical properties, stabilities, and energy density, of different cocrystal models were obtained and compared with each other. The main aim was to estimate the influence of molar ratios on properties of cocrystal explosives. The molecular dynamics (MD) simulation results show that the cocrystal model with molar ratio 1:1 has the best mechanical properties and highest binding energy, so the CL-20/FOX-7 cocrystal model is more likely to form in 1:1 M ratio. The detonation parameters show that the cocrystal explosive exhibited preferable energy density and excellent detonation performance. In a word, the 1:1 cocrystal model has the best comprehensive properties, is very promising, and worth more theoretical investigations and experimental tests. This paper gives some original theories to better understand the cocrystal mechanism and provides some helpful guidance and useful instructions to help design CL-20 cocrystal explosives.

MESOSCALE MODELING OF DEFLAGRATION-INDUCED DECONSOLIDATION IN POLYMER-BONDED EXPLOSIVES

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

Springer, H K; Glascoe, E A; Reaugh, J E

Initially undamaged polymer-bonded explosives can transition from conductive burning to more violent convective burning via rapid deconsolidation at higher pressures. The pressure-dependent infiltration of cracks and pores, i.e., damage, by product gases at the burn-front is a key step in the transition to convective burning. However, the relative influence of pre-existing damage and the evolution of deflagration-induced damage during the transition to convective burning is not well understood. The objective of this study is to investigate the role of microstructure and initial pressurization on deconsolidation. We performed simulations using the multi-physics hydrocode, ALE3D. HMX-Viton A served as our model explosive.more » A Prout-Tompkins chemical kinetic model, Vielle's Law pressure-dependent burning, Gruneisen equation-of-state, and simplified strength model were used for the HMX. The propensity for deconsolidation increased with increasing defect size and decreasing initial pressurization, as measured by the increase in burning surface area. These studies are important because they enable the development of continuum-scale damage models and the design of inherently safer explosives.« less

Cosmological explosions from cold dark matter perturbations

NASA Technical Reports Server (NTRS)

Scherrer, Robert J.

1992-01-01

The cosmological-explosion model is examined for a universe dominated by cold dark matter in which explosion seeds are produced from the growth of initial density perturbations of a given form. Fragmentation of the exploding shells is dominated by the dark-matter potential wells rather than the self-gravity of the shells, and particular conditions are required for the explosions to bootstrap up to very large scales. The final distribution of dark matter is strongly correlated with the baryons on small scales, but uncorrelated on large scales.

Chiral Lagrangian with broken scale: Testing the restoration of symmetries in astrophysics and in the laboratory

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

Bonanno, Luca; Drago, Alessandro

2009-04-15

We study matter at high density and temperature using a chiral Lagrangian in which the breaking of scale invariance is regulated by the value of a scalar field, called dilaton [E. K. Heide, S. Rudaz, and P. J. Ellis, Nucl. Phys. A571, 713 (1994); G. W. Carter, P. J. Ellis, and S. Rudaz, Nucl. Phys. A603, 367 (1996); G. W. Carter, P. J. Ellis, and S. Rudaz, Nucl. Phys. A618, 317 (1997); G. W. Carter and P. J. Ellis, Nucl. Phys. A628, 325 (1998)]. We provide a phase diagram describing the restoration of chiral and scale symmetries. We show thatmore » chiral symmetry is restored at large temperatures, but at low temperatures it remains broken at all densities. We also show that scale invariance is more easily restored at low rather than large baryon densities. The masses of vector-mesons scale with the value of the dilaton and their values initially slightly decrease with the density but then they increase again for densities larger than {approx}3{rho}{sub 0}. The pion mass increases continuously with the density and at {rho}{sub 0} and T=0 its value is {approx}30 MeV larger than in the vacuum. We show that the model is compatible with the bounds stemming from astrophysics, as, e.g., the one associated with the maximum mass of a neutron star. The most striking feature of the model is a very significant softening at large densities, which manifests also as a strong reduction of the adiabatic index. Although the softening has probably no consequence for supernova explosion via the direct mechanism, it could modify the signal in gravitational waves associated with the merging of two neutron stars.« less

Probing coherence aspects of adiabatic quantum computation and control.

PubMed

Goswami, Debabrata

2007-09-28

Quantum interference between multiple excitation pathways can be used to cancel the couplings to the unwanted, nonradiative channels resulting in robustly controlling decoherence through adiabatic coherent control approaches. We propose a useful quantification of the two-level character in a multilevel system by considering the evolution of the coherent character in the quantum system as represented by the off-diagonal density matrix elements, which switches from real to imaginary as the excitation process changes from being resonant to completely adiabatic. Such counterintuitive results can be explained in terms of continuous population exchange in comparison to no population exchange under the adiabatic condition.

Vibrationally-resolved Photoelectron Spectroscopy of the Model GFP Chromophore Anion Revealing the Photoexcited S-1 State being both Vertically and Adiabatically Bound against the Photodetached D-0 Continuum

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

Deng, Shihu; Kong, Xiangyu; Zhang, GuanXin

2014-06-19

The first excited state of the model green fluorescence protein (GFP) chromophore anion (S1) and its energy level against the electron-detached neutral radical, D0 state are crucial in determining the photophysics and the photo-induced dynamics of GFP. Extensive experimental and theoretical studies, particularly several very recent gas phase investigations concluded that S1 is a bound state in the Franck-Condon vertical region with respect to D0. However, what remains unknown and challenging is if S1 is bound adiabatically, primarily due to lack of accurate experimental measurements, as well as due to close proximity in energy for these two states that evenmore » sophisticated high-level ab initio calculations can’t reliably predict. Here, we report a negative ion photoelectron spectroscopy study on the model GFP chromophore anion, the deprotonated p-hydroxybenzylidene-2,3-dimethylimidazolinone anion (HBDI–). Despite the considerable size and low symmetry of the molecule, well resolved vibrational structures were obtained with the 0–0 transition being the most intense peak. The adiabatic (ADE) and vertical detachment energy (VDE) therefore are determined, both to be 2.73 ± 0.01 eV, indicating the detached D0 state is 0.16 eV higher in energy than the photon excited S1 state. The accurate ADE and VDE values and the well-resolved photoelectron spectra reported here provide much needed, robust benchmarks for future theoretical investigations.« less

IMPETUS: Consistent SPH calculations of 3D spherical Bondi accretion onto a black hole

NASA Astrophysics Data System (ADS)

Ramírez-Velasquez, J. M.; Sigalotti, L. Di G.; Gabbasov, R.; Cruz, F.; Klapp, J.

2018-04-01

We present three-dimensional calculations of spherically symmetric Bondi accretion onto a stationary supermassive black hole (SMBH) of mass 108M⊙ within a radial range of 0.02 - 10 pc, using a modified version of the smoothed particle hydrodynamics (SPH) GADGET-2 code, which ensures approximate first-order consistency (i.e., second-order accuracy) for the particle approximation. First-order consistency is restored by allowing the number of neighbours, nneigh, and the smoothing length, h, to vary with the total number of particles, N, such that the asymptotic limits nneigh → ∞ and h → 0 hold as N → ∞. The ability of the method to reproduce the isothermal (γ = 1) and adiabatic (γ = 5/3) Bondi accretion is investigated with increased spatial resolution. In particular, for the isothermal models the numerical radial profiles closely match the Bondi solution, except near the accretor, where the density and radial velocity are slightly underestimated. However, as nneigh is increased and h is decreased, the calculations approach first-order consistency and the deviations from the Bondi solution decrease. The density and radial velocity profiles for the adiabatic models are qualitatively similar to those for the isothermal Bondi accretion. Steady-state Bondi accretion is reproduced by the highly resolved consistent models with a percent relative error of ≲ 1% for γ = 1 and ˜9% for γ = 5/3, with the adiabatic accretion taking longer than the isothermal case to reach steady flow. The performance of the method is assessed by comparing the results with those obtained using the standard GADGET-2 and the GIZMO codes.

Yield Scaling of Frequency Domain Moment Tensors from Contained Chemical Explosions Detonated in Granite

NASA Astrophysics Data System (ADS)

MacPhail, M. D.; Stump, B. W.; Zhou, R.

2017-12-01

The Source Phenomenology Experiment (SPE - Arizona) was a series of nine, contained and partially contained chemical explosions within the porphyry granite at the Morenci Copper mine in Arizona. Its purpose was to detonate, record and analyze seismic waveforms from these single-fired explosions. Ground motion data from the SPE is analyzed in this study to assess the uniqueness of the time domain moment tensor source representation and its ability to quantify containment and yield scaling. Green's functions were computed for each of the explosions based on a 1D velocity model developed for the SPE. The Green's functions for the sixteen, near-source stations focused on observations from 37 to 680 m. This study analyzes the three deepest, fully contained explosions with a depth of burial of 30 m and yields of 0.77e-3, 3.08e-3 and 6.17e-3 kt. Inversions are conducted within the frequency domain and moment tensors are decomposed into deviatoric and isotropic components to evaluate the effects of containment and yield on the resulting source representation. Isotropic moments are compared to those for other contained explosions as reported by Denny and Johnson, 1991, and are in good agreement with their scaling results. The explosions in this study have isotropic moments of 1.2e12, 3.1e12 and 6.1e13 n*m. Isotropic and Mzz moment tensor spectra are compared to Mueller-Murphy, Denny-Johnson and revised Heard-Ackerman (HA) models and suggest that the larger explosions fit the HA model better. Secondary source effects resulting from free surface interactions including the effects of spallation contribute to the resulting moment tensors which include a CLVD component. Hudson diagrams, using frequency domain moment tensor data, are computed as a tool to assess how these containment scenarios affect the source representation. Our analysis suggests that, within our band of interest (2-20 Hz), as the frequency increases, the source representation becomes more explosion like, peaking at around 20 Hz. These results guide additional analysis of the observational data and the practical resolution of physical phenomenology accompanying underground explosions.

The Stability of Radiatively Cooling Jets I. Linear Analysis

NASA Technical Reports Server (NTRS)

Hardee, Philip E.; Stone, James M.

1997-01-01

The results of a spatial stability analysis of a two-dimensional slab jet, in which optically thin radiative cooling is dynamically important, are presented. We study both magnetized and unmagnetized jets at external Mach numbers of 5 and 20. We model the cooling rate by using two different cooling curves: one appropriate to interstellar gas, and the other to photoionized gas of reduced metallicity. Thus, our results will be applicable to both protostellar (Herbig-Haro) jets and optical jets from active galactic nuclei. We present analytical solutions to the dispersion relations in useful limits and solve the dispersion relations numerically over a broad range of perturbation frequencies. We find that the growth rates and wavelengths of the unstable Kelvin-Helmholtz (K-H) modes are significantly different from the adiabatic limit, and that the form of the cooling function strongly affects the results. In particular, if the cooling curve is a steep function of temperature in the neighborhood of the equilibrium state, then the growth of K-H modes is reduced relative to the adiabatic jet. On the other hand, if the cooling curve is a shallow function of temperature, then the growth of K-H modes can be enhanced relative to the adiabatic jet by the increase in cooling relative to heating in overdense regions. Inclusion of a dynamically important magnetic field does not strongly modify the important differences between an adiabatic jet and a cooling jet, provided the jet is highly supermagnetosonic and not magnetic pressure-dominated. In the latter case, the unstable modes behave more like the transmagnetosonic magnetic pressure-dominated adiabatic limit. We also plot fluid displacement surfaces associated with the various waves in a cooling jet in order to predict the structures that might arise in the nonlinear regime. This analysis predicts that low-frequency surface waves and the lowest order body modes will be the most effective at producing observable features in the jet.

Extremely late photometry of the nearby SN 2011fe

NASA Astrophysics Data System (ADS)

Kerzendorf, W. E.; McCully, C.; Taubenberger, S.; Jerkstrand, A.; Seitenzahl, I.; Ruiter, A. J.; Spyromilio, J.; Long, K. S.; Fransson, C.

2017-12-01

Type Ia supernovae are widely accepted to be the outcomes of thermonuclear explosions in white dwarf stars. However, many details of these explosions remain uncertain (e.g. the mass, ignition mechanism and flame speed). Theory predicts that at very late times (beyond 1000 d) it might be possible to distinguish between explosion models. Few very nearby supernovae can be observed that long after the explosion. The Type Ia supernova SN 2011fe located in M101 and along a line of sight with negligible extinction, provides us with the once-in-a-lifetime chance to obtain measurements that may distinguish between theoretical models. In this work, we present the analysis of photometric data of SN 2011fe taken between 900 and 1600 d after explosion with Gemini and HST. At these extremely late epochs theory suggests that the light-curve shape might be used to measure isotopic abundances which is a useful model discriminant. However, we show in this work that there are several currently not well constrained physical processes introducing large systematic uncertainties to the isotopic abundance measurement. We conclude that without further detailed knowledge of the physical processes at this late stage one cannot reliably exclude any models on the basis of this data set.

The Status of Multi-Dimensional Core-Collapse Supernova Models

NASA Astrophysics Data System (ADS)

Müller, B.

2016-09-01

Models of neutrino-driven core-collapse supernova explosions have matured considerably in recent years. Explosions of low-mass progenitors can routinely be simulated in 1D, 2D, and 3D. Nucleosynthesis calculations indicate that these supernovae could be contributors of some lighter neutron-rich elements beyond iron. The explosion mechanism of more massive stars remains under investigation, although first 3D models of neutrino-driven explosions employing multi-group neutrino transport have become available. Together with earlier 2D models and more simplified 3D simulations, these have elucidated the interplay between neutrino heating and hydrodynamic instabilities in the post-shock region that is essential for shock revival. However, some physical ingredients may still need to be added/improved before simulations can robustly explain supernova explosions over a wide range of progenitors. Solutions recently suggested in the literature include uncertainties in the neutrino rates, rotation, and seed perturbations from convective shell burning. We review the implications of 3D simulations of shell burning in supernova progenitors for the `perturbations-aided neutrino-driven mechanism,' whose efficacy is illustrated by the first successful multi-group neutrino hydrodynamics simulation of an 18 solar mass progenitor with 3D initial conditions. We conclude with speculations about the impact of 3D effects on the structure of massive stars through convective boundary mixing.

Comparative studies on structures, mechanical properties, sensitivity, stabilities and detonation performance of CL-20/TNT cocrystal and composite explosives by molecular dynamics simulation.

PubMed

Hang, Gui-Yun; Yu, Wen-Li; Wang, Tao; Wang, Jin-Tao; Li, Zhen

2017-09-19

To investigate and compare the differences of structures and properties of CL-20/TNT cocrystal and composite explosives, the CL-20/TNT cocrystal and composite models were established. Molecular dynamics simulations were performed to investigate the structures, mechanical properties, sensitivity, stabilities and detonation performance of cocrystal and composite models with COMPASS force field in NPT ensemble. The lattice parameters, mechanical properties, binding energies, interaction energy of trigger bond, cohesive energy density and detonation parameters were determined and compared. The results show that, compared with pure CL-20, the rigidity and stiffness of cocrystal and composite models decreased, while plastic properties and ductility increased, so mechanical properties can be effectively improved by adding TNT into CL-20 and the cocrystal model has better mechanical properties. The interaction energy of the trigger bond and the cohesive energy density is in the order of CL-20/TNT cocrystal > CL-20/TNT composite > pure CL-20, i.e., cocrystal model is less sensitive than CL-20 and the composite model, and has the best safety parameters. Binding energies show that the cocrystal model has higher intermolecular interaction energy values than the composite model, thus illustrating the better stability of the cocrystal model. Detonation parameters vary as CL-20 > cocrystal > composite, namely, the energy density and power of cocrystal and composite model are weakened; however, the CL-20/TNT cocrystal explosive still has desirable energy density and detonation performance. This results presented in this paper help offer some helpful guidance to better understand the mechanism of CL-20/TNT cocrystal explosives and provide some theoretical assistance for cocrystal explosive design.

Reactive Flow Modeling of Liquid Explosives via ALE3D/Cheetah Simulations

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

Kuo, I W; Bastea, S; Fried, L E

2010-03-10

We carried out reactive flow simulations of liquid explosives such as nitromethane using the hydrodynamic code ALE3D coupled with equations of state and reaction kinetics modeled by the thermochemical code Cheetah. The simulation set-up was chosen to mimic cylinder experiments. For pure unconfined nitromethane we find that the failure diameter and detonation velocity dependence on charge diameter are in agreement with available experimental results. Such simulations are likely to be useful for determining detonability and failure behavior for a wide range of experimental conditions and explosive compounds.

Thermodynamic Model of Aluminum Combustion in SDF Explosions

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

Kuhl, . L

2006-06-19

Thermodynamic states encountered during combustion of Aluminum powder in Shock-Dispersed-Fuel (SDF) explosions were analyzed with the Cheetah code. Results are displayed in the Le Chatelier diagram: the locus of states of specific internal energy versus temperature. Accuracy of the results was confirmed by comparing the fuel and products curves with the heats of detonation and combustion, and species composition as measured in bomb calorimeter experiments. Results were fit with analytic functions u = f(T) suitable for specifying the thermodynamic properties required for gas-dynamic models of combustion in explosions.

Experimental investigation of powerful pulse current generators based on capacitive storage and explosive magnetic generators

NASA Astrophysics Data System (ADS)

Shurupov, A. V.; Zavalova, V. E.; Kozlov, A. V.; Shurupov, M. A.; Povareshkin, M. N.; Kozlov, A. A.; Shurupova, N. P.

2018-01-01

Experimental models of microsecond duration powerful generators of current pulses on the basis of explosive magnetic generators and voltage impulse generator have been developed for the electromagnetic pulse effects on energy facilities to verify their stability. Exacerbation of voltage pulse carried out through the use of electro explosive current interrupter made of copper wires with diameters of 80 and 120 μm. Experimental results of these models investigation are represented. Voltage fronts about 100 ns and the electric field strength of 800 kV/m are registered.

Impact of first-principles properties of deuterium-tritium on inertial confinement fusion target designsa)

NASA Astrophysics Data System (ADS)

Hu, S. X.; Goncharov, V. N.; Boehly, T. R.; McCrory, R. L.; Skupsky, S.; Collins, L. A.; Kress, J. D.; Militzer, B.

2015-05-01

A comprehensive knowledge of the properties of high-energy-density plasmas is crucial to understanding and designing low-adiabat, inertial confinement fusion (ICF) implosions through hydrodynamic simulations. Warm-dense-matter (WDM) conditions are routinely accessed by low-adiabat ICF implosions, in which strong coupling and electron degeneracy often play an important role in determining the properties of warm dense plasmas. The WDM properties of deuterium-tritium (DT) mixtures and ablator materials, such as the equation of state, thermal conductivity, opacity, and stopping power, were usually estimated by models in hydro-codes used for ICF simulations. In these models, many-body and quantum effects were only approximately taken into account in the WMD regime. Moreover, the self-consistency among these models was often missing. To examine the accuracy of these models, we have systematically calculated the static, transport, and optical properties of warm dense DT plasmas, using first-principles (FP) methods over a wide range of densities and temperatures that cover the ICF "path" to ignition. These FP methods include the path-integral Monte Carlo (PIMC) and quantum-molecular dynamics (QMD) simulations, which treat electrons with many-body quantum theory. The first-principles equation-of-state table, thermal conductivities (κQMD), and first principles opacity table of DT have been self-consistently derived from the combined PIMC and QMD calculations. They have been compared with the typical models, and their effects to ICF simulations have been separately examined in previous publications. In this paper, we focus on their combined effects to ICF implosions through hydro-simulations using these FP-based properties of DT in comparison with the usual model simulations. We found that the predictions of ICF neutron yield could change by up to a factor of ˜2.5; the lower the adiabat of DT capsules, the more variations in hydro-simulations. The FP-based properties of DT are essential for designing ICF ignition targets. Future work on first-principles studies of ICF ablator materials is also discussed.

Kinetic Modeling of Slow Energy Release in Non-Ideal Carbon Rich Explosives

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

Vitello, P; Fried, L; Glaesemann, K

2006-06-20

We present here the first self-consistent kinetic based model for long time-scale energy release in detonation waves in the non-ideal explosive LX-17. Non-ideal, insensitive carbon rich explosives, such as those based on TATB, are believed to have significant late-time slow release in energy. One proposed source of this energy is diffusion-limited growth of carbon clusters. In this paper we consider the late-time energy release problem in detonation waves using the thermochemical code CHEETAH linked to a multidimensional ALE hydrodynamics model. The linked CHEETAH-ALE model dimensional treats slowly reacting chemical species using kinetic rate laws, with chemical equilibrium assumed for speciesmore » coupled via fast time-scale reactions. In the model presented here we include separate rate equations for the transformation of the un-reacted explosive to product gases and for the growth of a small particulate form of condensed graphite to a large particulate form. The small particulate graphite is assumed to be in chemical equilibrium with the gaseous species allowing for coupling between the instantaneous thermodynamic state and the production of graphite clusters. For the explosive burn rate a pressure dependent rate law was used. Low pressure freezing of the gas species mass fractions was also included to account for regions where the kinetic coupling rates become longer than the hydrodynamic time-scales. The model rate parameters were calibrated using cylinder and rate-stick experimental data. Excellent long time agreement and size effect results were achieved.« less

Kinetic Theory Derivation of the Adiabatic Law for Ideal Gases.

ERIC Educational Resources Information Center

Sobel, Michael I.

1980-01-01

Discusses how the adiabatic law for ideal gases can be derived from the assumption of a Maxwell-Boltzmann (or any other) distribution of velocities--in contrast to the usual derivations from thermodynamics alone, and the higher-order effect that leads to one-body viscosity. An elementary derivation of the adiabatic law is given. (Author/DS)

Explosive decomposition of ethylene oxide at elevated condition: effect of ignition energy, nitrogen dilution, and turbulence.

PubMed

Pekalski, A A; Zevenbergen, J F; Braithwaite, M; Lemkowitz, S M; Pasman, H J

2005-02-14

Experimental and theoretical investigation of explosive decomposition of ethylene oxide (EO) at fixed initial experimental parameters (T=100 degrees C, P=4 bar) in a 20-l sphere was conducted. Safety-related parameters, namely the maximum explosion pressure, the maximum rate of pressure rise, and the Kd values, were experimentally determined for pure ethylene oxide and ethylene oxide diluted with nitrogen. The influence of the ignition energy on the explosion parameters was also studied. All these dependencies are quantified in empirical formulas. Additionally, the effect of turbulence on explosive decomposition of ethylene oxide was investigated. In contrast to previous studies, it is found that turbulence significantly influences the explosion severity parameters, mostly the rate of pressure rise. Thermodynamic models are used to calculate the maximum explosion pressure of pure and of nitrogen-diluted ethylene oxide, at different initial temperatures. Soot formation was experimentally observed. Relation between the amounts of soot formed and the explosion pressure was experimentally observed and was calculated.