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DOE OSTI2025

A fully ro-vibrationally resolved corona model for the molecular hydrogen Fulcher-𝛼 system

A ro-vibrationally resolved corona model for the molecular hydrogen Fulcher-𝛼 transition based on the Yacora solver is introduced. The model couples 1365 ro-vibrational levels of the 𝑋 1 ⁢𝛴$^+_𝑔$, 𝑑 3⁢ 𝛱 𝑢 and 𝑎 3 ⁢𝛴$^+_𝑔$ states via electron impact excitation from the ground state into the 𝑑 3⁢ 𝛱 𝑢 state and subsequent spontaneous emission into the 𝑎 3 ⁢𝛴$+_𝑔$ state. For the process of electron impact excitation a set of 45260 fully ro-vibrationally resolved cross sections calculated with the molecular convergent close-coupling (MCCC) method in the adiabatic-nuclei formulation is applied. The MCCC cross sections are compared with results of a scaling method used in other works, demonstrating the need for dedicated ro-vibrationally resolved cross sections. By post-processing the model output, entire Fulcher spectra can be simulated. These spectra are benchmarked with measurements from an inductively coupled plasma discharge at a pressure between 1.1–10 Pa and a RF power of 700 W. The model results agree very well with the experiment both in relative shape and in absolute value. A non-ro-vibrationally resolved, purely electronically resolved collisional radiative model for molecular hydrogen (including further states and reaction channels) is applied to investigate the validity of the corona approximation for the benchmark plasmas and the relevance of possible process extensions of the corona model. Furthermore, the influence of collisional quenching, autoionization and predissociation is discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

Prediction of the structures and heats of formation of MO 2 , MO 3 , and M 2 O 5 for M = V, Nb, Ta, Pa

Structures for the mono-, di-, and tri-bridge isomers of M 2 O 5 as well as those for the MO 2 and MO 3 fragments for M = V, Nb, Ta, and Pa were optimized at the density functional theory (DFT) level. Single point CCSD(T) calculations extrapolated to the complete basis set (CBS) limit at the DFT geometries were used to predict the energetics. Here, the lowest energy dimer isomer was the di-bridge for M = V and Nb and the tri-bridge for M = Ta and Pa. The di-bridge isomers were predicted to be composed of MO 2 + and MO 3 - fragments, whereas the mono- and tri-bridge are two MO 2 + fragments linked by an O 2 - . The heats of formation of M 2 O 5 dimers, as well as MO 2 and MO 3 neutral and ionic species were predicted using the Feller–Peterson–Dixon (FPD) approach. The heats of formation of the MF 5 species were calculated to provide additional benchmarks. Dimerization energies to form the M 2 O 5 dimers are predicted to become more negative going down group 5 and range from -29 to -45 kcal mol -1 . The ionization energies (IEs) for VO 2 and TaO 2 are essentially the same at 8.75 eV whereas the IEs for NbO 2 and PaO 2 are 8.10 and 6.25 eV, respectively. The predicted adiabatic electron affinities (AEAs) range from 3.75 eV to 4.45 eV for the MO 3 species and vertical detachment energies from 4.21 to 4.59 eV for MO 3 - . The calculated M[double bond, length as m-dash]O bond dissociation energies increase from 143 kcal mol -1 for M = V to ~170 kcal mol -1 for M = Nb and Ta to ~200 kcal mol -1 for M = Pa. The M–O bond dissociation energies are all similar ranging from 97 to 107 kcal mol -1 . Natural bond analysis provided insights into the types of chemical bonds in terms of their ionic character. Pa 2 O 5 is predicted to behave like an actinyl species dominated by the interactions of approximately linear PaO 2 + groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2001

Our Sun IV: The Standard Model and Helioseismology: Consequences of Uncertainties in Input Physics and in Observed Solar Parameters

Helioseismic frequency observations provide an extremely accurate window into the solar interior; frequencies from the Michaelson Doppler Imager (MDI) on the Solar and Heliospheric Observatory (SOHO) spacecraft, enable the adiabatic sound speed and adiabatic index to be inferred with an accuracy of a few parts in 10(exp 4) and the density with an accuracy of a few parts in 10(exp 3). This has become a Serious challenge to theoretical models of the Sun. Therefore, we have undertaken a self-consistent, systematic study of the sources of uncertainties in the standard solar models. We found that the largest effect on the interior structure arises from the observational uncertainties in the photospheric abundances of the elements, which affect the sound speed profile at the level of 3 parts in 10(exp 3). The estimated 4% uncertainty in the OPAL opacities could lead to effects of 1 part in 10(exp 3); the approximately 5%, uncertainty in the basic pp nuclear reaction rate would have a similar effect, as would uncertainties of approximately 15% in the diffusion constants for the gravitational settling of helium. The approximately 50% uncertainties in diffusion constants for the heavier elements would have nearly as large an effect. Different observational methods for determining the solar radius yield results differing by as much as 7 parts in 10(exp 4); we found that this leads to uncertainties of a few parts in 10(exp 3) in the sound speed int the solar convective envelope, but has negligible effect on the interior. Our reference standard solar model yielded a convective envelope position of 0.7135 solar radius, in excellent agreement with the observed value of 0.713 +/- 0.001 solar radius and was significantly affected only by Z/X, the pp rate, and the uncertainties in helium diffusion constants. Our reference model also yielded envelope helium abundance of 0.2424, in good agreement with the approximate range of 0.24 to 0.25 inferred from helioseismic observations; only extreme Z/X values yielded envelope helium abundance outside this range. We found that other current uncertainties, namely, in the solar age and luminosity, in nuclear rates other than the pp reaction, in the low-temperature molecular opacities, and in the low-density equation of state, have no significant effect on the quantities that can be inferred from helioseismic observations. The predicted pre-main-sequence lithium depletion is uncertain by a factor of 2. The predicted neutrino capture rate is uncertain by approximately 30% for the Cl-27 experiment and by approximately 3% for Ga-71 experiments, while the B-8 neutrino flux is uncertain by approximately 30%.

Boothroyd, Arnold I.↗

NASA NTRS1977

The multiple nesting of mesoscale, submesoscale, and nonhydrostatic microscale numerical models for a case of mesocyclogenesis and severe storm development

A fundamental approach involving the integration of two different numerical models over several different spatial mesh lengths is considered. Model I is a hydrostatic, incompressible, and adiabatic primitive (Newtonian) equation set with no boundary layer forcing, i.e., surface heat or moisture flux or external frictional stresses. Typically this model is initialized from conventional radiosonde data and run for a 12-15 hour forecast period over a 40 km horizontal mesh. If phase I of the tornado developmental processes develops, the data is 'frozen' in space and time, interpolated to a 20 km mesh, and integrated for a shorter time period (3 hours) with a shorter time step. Model II is a nonhydrostatic compressible 18-level complement of model I. If model II indicates the development of the intensification of phase V dynamical processes, the data is frozen and interpolated to finer mesh lengths until the tornadic circulation system is approximated

Kaplan, M. L.↗

NASA NTRS1985

Transformation toughened ceramics for the heavy duty diesel engine technology program, phase 2

The objective of this program is to develop an insulating structural ceramic for application in a heavy duty adiabatic diesel engine. The approach is to employ transformation toughening (TT) by additions of zirconia-hafnia solid solution (ZHSS). The feasibility of using ZHSS as a toughening agent in mullite and alumina has been demonstrated in Phase 1 of this work. Based on Phase 1 results, a decision was made to concentrate the Phase 2 effort on process optimization of the TT mullite. A strong factor in that decision was the low thermal conductivity and high thermal shock resistance of the mullite. Results of the Phase 2 effort indicate that optimum toughening of mullite by additions of ZHSS is difficult to achieve due to apparent sensitivity to morphology. The 48 ksi room temperature modulus-of-rupture (MOR) achieved in selected specimens is approximately 50% of the original strength target. The MOR deteriorated to 34 ksi at 800 C.

Musikant, S.↗

NASA NTRS2016

Van Allen Probes Observations of Magnetic Field Dipolarization and Its Associated O+ Flux Variations in the Inner Magnetosphere at L 6.6

We investigate the magnetic field dipolarization in the inner magnetosphere and its associated ion flux variations, using the magnetic field and energetic ion flux data acquired by the Van Allen Probes. From a study of 74 events that appeared at L= 4.5-6.6 between 1 October 2012 and 31 October 2013, we reveal the following characteristics of the dipolarization in the inner magnetosphere: (1) its time scale is approximately 5 min; (2) it is accompanied by strong magnetic fluctuations that have a dominant frequency close to the O+ gyrofrequency; (3) ion fluxes at 20-50 keV are simultaneously enhanced with larger magnitudes for O+ than for H+; (4) after a few minutes of the dipolarization, the flux enhancement at 0.1-5 keV appears with a clear energy-dispersion signature only for O+; and (5) the energy-dispersed O+ flux enhancement appears in directions parallel or antiparallel to the magnetic field. From these characteristics, we discuss possible mechanisms that can provide selective acceleration to O+ ions at > 20 keV. We conclude that O+ ions at L= 5.4-6.6 undergo nonadiabatic local acceleration caused by oscillating electric field associated with the magnetic fluctuations and/or adiabatic convective transport from the plasma sheet to the inner magnetosphere by the impulsive electric field. At L= 4.5-5.4, however, only the former acceleration is plausible. We also conclude that the field-aligned energy-dispersed O+ ions at 0.1-5 keV originate from the ionosphere and are extracted nearly simultaneously to the onset of the dipolarization.

Magnetosphere↗

DOE OSTI2023

MHD simulation on magnetic compression of field reversed configurations with NIMROD

Abstract Magnetic compression has long been proposed a promising method for plasma heating in a field reversed configuration (FRC). However, it remains a challenge to fully understand the physical mechanisms underlying the compression process, due to its highly dynamic nature beyond the one-dimensional (1D) adiabatic theory model (Spencer et al 1983 Phys. Fluids 26 1564). In this work, magnetohydrodynamics simulations on the magnetic compression of FRCs using the NIMROD code (Sovinec et al 2004 J. Comput. Phys. 195 355) and their comparisons with the 1D theory have been performed. The effects of the assumptions of the theory on the compression process have been explored, and the detailed profiles of the FRC during compression have been investigated. The pressure evolution agrees with the theoretical prediction under various initial conditions. The axial contraction of the FRC can be affected by the initial density profile and the ramping rate of the compression magnetic field, but the theoretical predictions on the FRC’s length in general and the relation r s = 2 r o in particular hold approximately well during the whole compression process, where r s is the major radius of FRC separatrix and r o is that of the magnetic axis. The evolutions of the density and temperature can be affected significantly by the initial equilibrium profile and the ramping rate of the compression magnetic field. During the compression, the major radius of the FRC is another parameter that is susceptible to the ramping rate of the compression field. Basically, for the same magnetic compression ratio, the peak density is higher and the FRC’s radius r s is smaller than the theoretical predictions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2001

A Magnetoresistive Heat Switch for the Continuous ADR

In compensated elemental metals at low temperature, a several Tesla field can suppress electronic heat conduction so thoroughly that heat is effectively carried by phonons alone. In approximately one mm diameter single crystal samples with impurity concentrations low enough that electron conduction is limited by surface scattering, the ratio of zerofield to high-field thermal conductivity can exceed ten thousand. We have used this phenomenon to build a compact, solid-state heat switch with no moving parts and no enclosed fluids. The time scale for switching states is limited by time scale for charging the magnet that supplies the controlling field. Our design and fabrication techniques overcome the difficulties associated with manufacturing and assembling parts from single crystal tungsten. A clear disadvantage of the magnetoresistive switch is the mass and complexity of the magnet system for the controlling field. We have discovered a technique of minimizing this mass and complexity, applicable to the continuous adiabatic demagnetization refrigerator.

Canavan, E. R.↗

NASA NTRS2002

Boundary Layer Transition on Slender Cones in Conventional and Low Disturbance Mach 6 Wind Tunnels

An experimental investigation was conducted on a 5-degree half-angle cone and a 5-degree half-angle flared cone in a conventional Mach 6 wind tunnel to examine the effects of facility noise on boundary layer transition. The influence of tunnel noise was inferred by comparing transition onset locations determined from the present test to that previously obtained in a Mach 6 low disturbance quiet tunnel. Together, the two sets of experiments are believed to represent the first direct comparison of transition onset between a conventional and a low disturbance wind tunnel using a common test model and transition detection technique. In the present conventional hypersonic tunnel experiment, separate measurements of heat transfer and adiabatic wall temperatures were obtained on the conical models at small angles of attack over a range of Reynolds numbers, which resulted in laminar, transitional, and turbulent flow. Smooth model turbulent heating distributions are compared to that obtained with transition forced via discrete surface roughness. The model nosetip radius was varied to examine the effects of bluntness on transition onset. Despite wall to total temperature differences between the transient heating measurements and the adiabatic wall temperature measurement, the two methods for determining sharp cone transition onset generally yielded equivalent locations. In the 'noisy' mode of the hypersonic low disturbance tunnel, transition onset occurred earlier than that measured in the conventional hypersonic tunnel, suggesting higher levels of freestream acoustic radiation relative to the conventional tunnel. At comparable freestream conditions, the transition onset Reynolds number under low disturbance conditions was a factor of 1.3 greater than that measured on flared cone in the LaRC conventional hypersonic tunnel and a factor of 1.6 greater that the flared cone run in the low disturbance tunnel run 'noisy'. Navier-Stokes mean flow computations and linear stability analysis were conducted to assess the experimental results and have indicated N factors associated with sharp flared cone transition onset to be approximately a factor of 2 lower than that inferred from the corresponding low disturbance tunnel measurements.

Horvath, Thomas J.↗

NASA NTRS1998

Determination of Particle Sources for a Geotail Distribution Function Observed on May 23, 1995

On May 23, 1995, the Comprehensive Plasma Instrumentation (CPI) onboard the Geotail spacecraft observed a complex and structured ion distribution function near the magnetotail midplane at x approximately -10 R(sub E). On the same day, the Wind spacecraft observed a very high density (approximately 40/cubic cm) solar wind and an interplanetary magnetic field (IMF) that was predominantly northward but had several southward turnings. We have inferred the sources of the ions in this distribution function by following approximately 90,000 ion trajectories backward in time using time-dependent electric and magnetic fields obtained from a global MHD (magnetohydrodynamic) simulation. Wind data were used as input for the MHD model. We found that three sources contributed to this distribution: the ionosphere, the plasma mantle which had near-Earth and distant tail components, and the low latitude boundary layer (LLBL). Moreover, distinct structures in the low energy part of the distribution function were found to be associated with individual sources. Structures near 0 deg pitch angle were made up of either ionospheric or plasma mantle ions, while structures near 90 deg pitch angle were dominated by ions from the LLBL source. Particles that underwent nonadiabatic acceleration were numerous in the higher energy part of the ion distribution function, whereas ionospheric and LLBL ions were mostly adiabatic. A large proportion of the near-Earth mantle ions underwent adiabatic acceleration, while most of the distant mantle ions experienced nonadiabatic acceleration.

Ashour-Abdalla, M.↗

DOE OSTI2024

Flame kinetics at scramjet-engine-relevant conditions: Role of prompt dissociation of weakly-bound radicals

Combustion in high-speed ram-based propulsion engines occurs under distinct thermodynamic conditions of high reactant temperatures (greater than 1000 K) and relatively low pressures (<5 atm). There is a lack of fundamental flame measurements at such conditions that result in adiabatic flame temperatures (T ad ) exceeding 2500 K. In this work, we have measured laminar flame speeds of oxygen-enriched CH 4 /oxidizer mixtures at sub-atmospheric conditions to probe kinetics at high T ad using the isobaric spherically expanding flame approach. Simulations with recent kinetic models revealed increasing differences between data and model predictions with increasing T ad , reaching up to 25 %. Kinetic analyses reveal that at the thermodynamic conditions in these O 2 -enriched flames, i.e., lower pressures and higher T ad , the effects of HCO prompt dissociation are accentuated. In addition to HCO, the prompt dissociations of CH 2 OH and C 2 H 5 are also considered. Here, the prompt dissociations of all three radicals were evaluated and their effects considered in flame speed simulations. Reaction path analysis for the present flames revealed that approximately half of the reaction flux for HCO formation undergoes prompt dissociation to H + CO. Furthermore, these analyses also revealed that the pathways and sensitive reactions are similar between oxygen-enriched fuel/oxidizer mixtures and preheated fuel/air mixtures, if both have similar T ad . Thus, flames of oxygen-enriched mixtures could be a surrogate to probe the flame chemistry of highly preheated mixtures at relatively low pressures that are often encountered in ram-based propulsion engine combustors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Testing- and Model- Based Optimization of Coal-fired Primary Heater Design for Indirect Supercritical CO 2 Power Cycles (Final Scientific and Technical Report)

The overall objective of this project was to perform the R&D necessary to mitigate the risk associated with the design of a primary heat exchanger for a solid-fired combustion system coupled with an indirect-fired closed-loop Brayton Cycle utilizing supercritical CO 2 . The key technological hurdle was the coupling of a solid-fuel firing system with the primary heater, which poses a singular challenge, which is the management of burner performance and operational conditions in a way to manage heat exchanger tube metal temperatures and temperature ramp rates in the absence of fluid phase change on the inside of the tubes. We designed and built the first ever pseudo power system employing a simple recuperated supercritical CO 2 closed-loop Brayton Cycle coupled to a solid-fuel fired system. Advanced coupled CFD and process modeling were used to design the primary heat exchanger (PHX), which consisted of both radiative and convective sections, to limit tube metal temperatures resulting from the heat release profile of the solid fuel flame near the radiative tubes. The heat exchanger was designed to produce finished CO 2 temperatures of 600 °C a pressure of 20.7 MPa and CO 2 flow of 5.5 kg/s. The constructed PHX was capable of 1.2 MWth heat uptake. During design of the PHX, the modeling showed that most variables influencing flame shape (burner stoichiometric ratio and register velocities and swirl) were not suitable to manage heat flux to the metal surfaces. This is because they substantially increased adiabatic flame temperature through the influence of localized stoichiometric ratio. Excess air and firing rate were the two most powerful variables that could be used to control tube surface temperatures. The coupled system was operated for a total of 407 hours, with the longest continuous run of 248 hours. For 62% of the operational time, the unit was unmanned and in automatic control. The fuels used for the testing included natural gas, two Utah Bituminous coals, woody biomass, and bagasse. During the testing we were able to verify the 1.2 MWth heat uptake and we operated at a finished CO 2 temperature of 607 °C and a pressure of 20.3 MPa simultaneously. The real-time corrosion rate of the Super 304H tube CO 2 surface in the region of the radiative section of the PHX were measured, at an approximate temperature of 550 °C. The two key variables related to corrosion rate are the pressure and flow rate of the CO 2 . A technoeconomic analysis was performed at a scale of 120 MWE. The updated analysis showed that the efficiency of an sCO 2 power producing plant will be related to the pressure drop of the PHX.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2024

Development of Steady-State and Dynamic Mass and Energy Constrained Neural Networks for Distributed Chemical Systems Using Noisy Transient Data

The paper presents the development of algorithms for mass and energy constrained neural network models that can exactly conserve the overall mass and energy of distributed chemical process systems, even though the noisy transient data used for optimal model training violate the same. In contrast to approximately satisfying mass and energy balance constraints of a system by soft penalization of objective function, algorithms have been developed for solving equality-constrained nonlinear optimization problems, thus providing the guarantee of exactly satisfying the system mass and energy conservation laws. For developing dynamic mass-energy constrained network models for distributed systems, hybrid series and parallel dynamic-static neural networks have been leveraged. The developed algorithms for solving both the training and forward problems are validated using both steady-state and dynamic data in the presence of various noise characteristics. The developed data-driven algorithms are flexible to exactly satisfy mass and energy balance constraints for dynamic chemical processes if the system holdup information is available. The proposed network structures and algorithms are applied to the development of data-driven lumped and distributed models of an adiabatic superheater/reheater system, a nonisothermal continuous stirred tank reactor, as well as an electrically heated plug-flow reactor system where one form of energy gets transformed to another. It has been observed that the mass-energy constrained neural networks yield a root mean squared error of <1% with respect to the system truth for the case studies evaluated in this work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1975

Remarks on the theory of aerodynamic noise

The accuracy of approximations employed in the Lighthill theory in current aerodynamic noise research is critically evaluated. Based on the method of matched asymptotic expansions, the full Navier-Stokes equations are expanded for small Mach numbers. To the first order, the near-field is generally nonisentropic. The pressure field (pseudo-sound) is generated by the incompressible Reynolds stresses in the turbulent flow and the velocity, pressure perturbation, and their derivatives on the boundaries. In the far-field, the first-order pressure (acoustic) field satisfying a linear wave equation is obtained by matching with the pseudo-sound field. A uniformly valid solution for the pressure field in a stationary or uniformly moving medium is obtained. The solution shows that the generation of the first-order aerodynamic noise does not depend on the viscous, thermal, or entropy effects in the adiabatic flow nor on the shear stress on a smooth rigid boundary.

Pan, Y. S.↗

DOE OSTI2020

Analytical Investigation of the Role of Lateral Mixing in the Evolution of Nonprecipitating Cumulus. Part I: Developing Clouds

Evolution of nonprecipitating cumulus clouds (Cu) at the developing stage under the influence of lateral entrainment and mixing is studied analytically using a minimalistic analytical model. We present a model of an ascending cloud volume (a model of developing Cu) whose structure is determined by the processes of droplet diffusion growth/evaporation and entrainment mixing in the horizontal direction. Spatial and time changes of liquid water content, the adiabatic fraction, droplet concentration, and the mean volume droplet radius are calculated. It is shown that the existence of a nondiluted core in a growing cumulus cloud significantly depends on the cloud width and vertical velocity. While at the updraft velocity of 2 m s −1 the core of a 400-m-wide cloud becomes diluted at distances of a few hundred meters above cloud base, the core of a cloud of 1000-m width remains nondiluted at distances up to 1500 m above cloud base. The explanation of this result is simple: the increase in cloud width and the decrease in the updraft velocity increase the time during which the cloud is diluted due to mixing. Since lateral mixing synchronously decreases both the cloud water content and droplet concentration, the variation of the mean volume droplet radius is low inside the cloud. The approximate quantitative condition for cloud formation in updraft is derived. It is shown that a cloud can arise when its vertical velocity exceeds a critical value. To produce clouds, narrow turbulent plumes should ascend at higher velocity as compared to wider plumes. High humidity of the environment air is favorable for formation of clouds from plumes. The comparison of the obtained results with previously published observational data indicates a reasonable agreement. The results can be useful for parameterization purposes.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2003

Continuous Cooling from 10 K to 4 K Using a Toroidal ADR

Future large infrared space telescopes will require cooling to 4K to achieve background limited performance for submillimeter wavelengths. These observatories will require lifetimes of many years and will have relatively large cooling requirements making stored helium dewars impractical. We have designed and are building an adiabatic demagnetization refrigerator (ADR) for use in cooling relatively large loads (10- 100 mW) at 4K and rejecting that heat to a cryocooler operating at 1 OK. Cryocoolers below 1 OK have poor thermodynamic efficiency and ADRs can operate in this temperature range with an efficiency of 75% of Carnot or better. Overall, this can save as much as 2/3 of the input power required to operate a 4K cryocooler. The ADR magnet consists of 8 short coils wired in series and arranged in a toroid to provide self shielding of its magnetic field. This will save mass (about 30% of the mass or about 1.5 kg in our small version, higher percentages in higher cooling power, larger versions) that would have been used for passive or active shields in an ordinary solenoid. The toroid has a 100 mm outer diameter and will produce an approximately 3T average field. In the initial demonstration model the toroid coils will be wound with ordinary NbTi wire and operated at 4K. A second version will then use Nb3Sn wire to provide complete 10K operation. As a refrigerant for this temperature range we will use either GdLiF4 or GdF3 crystals, pending tests of these crystals' cooling capacity per field and thermal conductance. Preliminary indications are that these materials are superior to GGG. We will use gas gap heat switches to alternately connect the toroid to the cold load and the warm heat sink. A small continuous stage will maintain the cold end at 4K while the main toroid is recycled.

DiPirro, Michael J.↗

DOE OSTI2021

Photon-recoil and laser-focusing limits to Rydberg gate fidelity

Limits to Rydberg gate fidelity that arise from the entanglement of internal states of neutral atoms with the motional degrees of freedom due to the momentum kick from photon absorption and re-emission is quantified. This occurs when the atom is in a superposition of internal states but only one of these states is manipulated by visible or UV photons. The Schrödinger equation that describes this situation is presented and two cases are explored. In the first case, the entanglement arises because the spatial wave function shifts due to the separation in time between excitation and stimulated emission. For neutral atoms in a harmonic trap, the decoherence can be expressed within a sudden approximation when the duration of the laser pulses are shorter than the harmonic oscillator period. In this limit, the decoherence is given by simple analytic formulas that account for the momentum of the photon, the temperature of the atoms, the harmonic oscillator frequency, and atomic mass. In the second case, there is a reduction in gate fidelity because the photons causing absorption and stimulated emission are in focused beam modes. This leads to a dependence of the optically induced changes in the internal states on the center of mass atomic position. In the limit where the time between pulses is short, the decoherence can be expressed as a simple analytic formula involving the laser waist, temperature of the atoms, the trap frequency, and the atomic mass. These limits on gate fidelity are studied for the standard π-2π-π Rydberg gate and a protocol based on a single adiabatic pulse with a Gaussian envelope.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1994

Shock propagation and the generation of magnetohydrodynamic wave fields in inhomogeneous molecular clouds

We develop a simple one-dimensional model for the interaction of a steady, thin, planar shock wave with a nonrigid cloud which may be in motion relative to the surrounding medium, and we apply the model to shocks impinging on, and propagating through, molecular clouds. Both 'adiabatic' (gamma = 5/3) and radiative (gamma = 1) shocks are considered and we allow for the presence of a uniform magnetic field directed either parallel or perpendicular to the shock normal. The former field orientation is equivalent to the hydrodynamic case, and the latter involves only fast MHD shocks. We focus on the manner in which such shocks can generate internal kinetic motions in the cloud on a range of size and density scales through the direct acceleration of cores and clumps by shocks transmitted into them and through the generation of an MHD wavefield via the reflection of the incident shock at clump boundaries. We find that stronger incident Mach numbers and smaller density contrasts lead to more efficient cloud acceleration, as do isothermal intercloud shocks and small intercloud magnetic field strengths. The acceleration efficiency is insensitive to the adiabatic index and the magnetic field strength in the cloud itself. For typical parameter choices, the direct acceleration of clouds and clumps by strong shocks is found to be substantial and could at least in part account for their observed velocity dispersions. If the shocks are moderately weak, the final velocity of the cloud is linearly related to its initial velocity, with higher acceleration giving shallower slopes (i.e., final velocity distributions which are less sensitive to the initial distribution). Compared to the kinetic energy of the postshock cloud, the energy given to the wavefield at each encounter is small, and the heating of the interclump medium by the dissipation of this wavefield is found to be insufficient to balance the cooling rate in the cloud as a whole (although it may be important in particular regions), even if this medium is warm, unless it is also extremely tenuous (n approximately less than 0.1/cu cm). Nevertheless, the correction for the velocity imparted to the cloud leads to a substantial increase in the critical incident Mach numner for wave emission over that reported by Spitzer for the rigid case. The implications of our model for shock-induced star formation are discussed briefly.

Miesch, Mark S.↗