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1,144 records · Page 64

N -representability violations in truncated equation-of-motion coupled-cluster methods

One-electron reduced density matrices (1RDMs) from equation-of-motion (EOM) coupled-cluster with single and double excitations (CCSD) calculations are analyzed to assess their N-representability (i.e., whether they are derivable from a physical N-electron state). We identify EOM-CCSD stationary states whose 1RDMs violate either ensemble-state N-representability conditions or pure-state conditions known as generalized Pauli constraints. As such, these 1RDMs do not correspond to any physical N-electron state. Unphysical states are also encountered in the course of time-dependent EOM-CC simulations; when an external field drives transitions between a pair of stationary states with pure-state N-representable 1RDMs, the 1RDM of the time-dependent state can violate ensemble-state conditions. Furthermore, these observations point to potential challenges in interpreting the results of time-dependent EOM-CCSD simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Computer Modeling of Electrostatic Aggregation of Granular Materials in Planetary and Astrophysical Settings

Electrostatic forces strongly influence the behavior of granular materials in both dispersed (cloud) systems and semi-packed systems. These forces can cause aggregation or dispersion of particles and are important in a variety of astrophysical and planetary settings. There are also many industrial and commercial settings where granular matter and electrostatics become partners for both good and bad. This partnership is important for human exploration on Mars where dust adheres to suits, machines, and habitats. Long-range Coulombic (electrostatic) forces, as opposed to contact-induced dipoles and van der Waals attractions, are generally regarded as resulting from net charge. We have proposed that in addition to net charge interactions, randomly distributed charge carriers on grains will result in a dipole moment regardless of any net charge. If grains are unconfined, or fluidized, they will rotate so that the dipole always induces attraction between grains. Aggregates are readily formed, and Coulombic polarity resulting from the dipole produces end-to-end stacking of grains to form filamentary aggregates. This has been demonstrated in USML experiments on Space Shuttle where microgravity facilitated the unmasking of static forces. It has also been demonstrated in a computer model using grains with charge carriers of both sign. Model results very closely resembled micro-g results with actual sand grains. Further computer modeling of the aggregation process has been conducted to improve our understanding of the aggregation process, and to provide a predictive tool for microgravity experiments slated for Space Station. These experiments will attempt to prove the dipole concept as outlined above. We have considerably enhanced the original computer model: refinements to the algorithm have improved the fidelity of grain behavior during grain contact, special attention has been paid to simulation time steps to enable establishment of a meaningful, quantitative time axis, and calibration of rounding accuracies have been conducted to test cumulative numerical influences in the model. The model has been run for larger grain populations, variable initial cloud densities, and we have introduced random net charging to individual grains, as well as a net charge to the cloud as a whole. The model uses 3 positive and 3 negative charges randomly distributed on each grain, with up to 160 grains contained within various size "boxes" that define the initial number densities in the clouds. Each charge represents localized charged region on a grain, but does not necessarily imply single quantized charge carriers. The Coulomb equations are then allowed to interact for each monopole: dipoles and any higher order charge coupling is a natural product of these "free" interactions over which the modeler exerts no influence. The charges are placed on surfaces of grains at random locations. A series of runs was conducted for neutral grains that had a perfect balance of negative and positive char carriers. Runs were also conducted with grains having additional fractional charges ranging between 0 and 1. By adding fractional charges of one sign, the model created grain populations in which all grains had excess charges the same sign, giving the cloud an overall net charge. This simulates clouds subjected to ionizing radiation (e. protoplanetary debris disk around a protosun), or any other process of charge biasing in a grain population (e.g., volcanic plumes). In another run series, random fractional charges of either sign were added to the grains so th some grains had a slight net positive charge while others had a slight net negative charge. This simulates triboelectrically-charged grain populations in which acquisition of an electron by one surface is at the expense creating a hole elsewhere. This dual sign charging was applied in two ways: in one case the cloud remained neutral by ensuring that all grain excess charges added to zero; in the other case, the cloud was permitted slight net char by not imposing a charge-balance condition. Additional information is contained in the original.

Marshall, J.↗

Controls-structures-interaction dynamics during RCS control of the Orbiter/SRMS/SSF configuration

During the assembly flights of the Space Station Freedom (SSF), the Orbiter will either dock with the SSF and retract to the final berthed position, or will grapple the SSF using the Shuttle Remote Manipulator System (SRMS) and maneuver the SRMS coupled vehicles to their final berthed position. The SRMS method is expected to take approximately one to one and a half hours to complete and require periodic attitude corrections by either the Orbiter or the SSF reaction control system (RCS) or continuous control by a control moment gyro (CMG) system with RCS desaturation as required. Free drift of the attached vehicles is not currently thought to be acceptable because the desired system attitude will quickly deteriorate due to unbalanced gravity gradient and aerodynamic torques resulting in power generation problems, thermodynamic control problems, and communications problems. This paper deals with the simulation and control of the SRMS during trunnion/latch interaction dynamics and during RCS maneuvers. The SRMS servo drive joints have highly non-linear elastic characteristics which tend to degrade sensitive control strategies. In addition the system natural frequencies are extremely low and depend on the drive joint deflections and SRMS geometric position. The lowest mean period of oscillation for the Orbiter/SRMS/SSF(MB6) system in brakes hold mode positioned near the final berthed position is approximately 120 seconds. A detailed finite element model of the SRMS has been developed and used in a newly developed SRMS systems dynamics simulation to investigate the non-linear transient response dynamics of the Orbiter/SRMS/SSF systems. The present SRMS control strategy of brakes only recommended by the Charles Draper Labs is contrasted with a robust controller developed by the authors. The robust controller uses an optimal inear quadratic regulator (LQR) to optimally place the closed-loop poles of a multivariable continuous-time system within the common region of an open sector with the sector angle plus or minus 45 degrees from the negative real axis, and the left-hand side of a parallel to the imaginary axis in the complex s-plane. This guarantees that the critical damping ratio for the desired control modes is equal to or in excess of 0.707. The matrix sign function is used for solving the Riccati equations which appear in the controller design procedure. Fast and stable algorithms have recently been developed for the computation of the matrix sign function. Simulation results are given which demonstrate the potential CSI involvement for the current SRMS control system and the proposed control system.

Schliesing, J. A.↗

Quantitative radiography for determining density fluctuations in HED experiments

We have developed a method to extract density fluctuation measurements from x-ray radiographs of high-energy density (HED) instability growth and turbulence experiments. We use this information to calculate density fluctuation statistics for constraining the performance of turbulent mix models in HED systems. The density calculation combines image filtering, removal of systemic effects such as backlighter variation, calculation of transmission across multiple materials, and use of tracer materials to generate an approximate single-material density field. From the density map, we calculate both average density and a variance-like moment b (density-specific-volume covariance), which we compare to our models. We infer both quantities from a single image, which is significantly more information than the historic single scalar mix width measurements. We also develop a method of analyzing simulation outputs that incorporate both the density fluctuation metric from a turbulence model and the bulk material maps from the hydrodynamic code. This analysis helps address the question of how to initialize the simulations for best comparison to data from systems with large separations of scale in the mixing perturbation initial condition. We find that our data analysis method yields 1D average density and b curves with similar morphology and amplitudes as those from preliminary simulation comparisons.

47 OTHER INSTRUMENTATION↗

Geometric decoherence time in Lindbladian dynamics

The onset of decoherence in open many-body systems lacks a dynamical timescale grounded in the loss of bipartite entanglement. Here, we introduce the geometric decoherence time, defined as the earliest moment the monotone relation between logarithmic negativity and Rényi-$\frac{1}{2}$ entropy—exactly equal across any bipartition for pure states—breaks down under open-system evolution, signaling entropy growth without accompanying entanglement growth. We establish this criterion in both single-particle Gaussian dynamics and many-body Lindbladian evolution. We show that quantum mutual information provides a complementary long-time diagnostic: Its asymptotic vanishing is equivalent to factorization of the steady state across the bipartition, a condition strictly stronger than separability, and whenever a product steady state is approached exponentially in trace norm, negativity and mutual information share the same decay rate. In the presence of a strong symmetry, this tracking can fail—residual classical correlations can survive after entanglement has vanished. In the Kitaev chain with balanced gain and loss, we derive a closed-form solution and show that the topological phase sustains longer coherence times than the trivial phase at identical dissipation, with a local minimum at the chiral-symmetric point. In the interacting XXZ chain, exact many-body evolution shows that local 𝑍 dephasing preserves residual classical correlations, whereas gain and loss restore the mutual-information tracking of negativity. Furthermore, our results establish the geometric decoherence time as a dynamical scale tracking the onset of decoherence.

74 ATOMIC AND MOLECULAR PHYSICS↗

Computational Study of Flow Interactions in Coaxial Rotors

Although the first idea of coaxial rotors appeared more than 150 years ago, most helicopters have used single main-rotor/tail-rotor combination. Since reactive moments of coaxial rotors are canceled by contra-rotation, no tail rotor is required to counter the torque generated by the main rotor. Unlike the single main rotor design that distributes power to both main and tail rotors, all of the power for coaxial rotors is used for vertical thrust. Thus, no power is wasted for anti-torque or directional control. The saved power helps coaxial rotors reach a higher hover ceiling than single rotor helicopters. Another advantage of coaxial rotors is that the overall rotor diameter can be reduced for a given vehicle gross weight because each rotor provides a maximum contribution to vertical thrust to overcome vehicle weight. However, increased mechanical complexity of the hub has been one of the challenges for manufacturing coaxial rotorcraft. Only the Kamov Design Bureau of Russia had been notably successful in production of coaxial helicopters until Sikorsky built X2, an experimental compound helicopter. Recent developments in unmanned aircraft systems and high-speed rotorcraft have renewed interest in the coaxial configuration. Multi-rotors are frequently used for small electric unmanned rotorcraft partly due to mechanical simplicity. The use of multiple motors provides redundancy as well as cost-efficiency. The multi-rotor concept has rarely been used until recently because of its inherent stability and control problems. However, advances in inexpensive electronic flight control systems have opened the floodgates for small drones using multirotors. Coaxial rotors have started to appear in some multi-rotor configurations. Small coaxial rotors have often been designed using a hundred year old approach that is "sketch, build, fly, and iterate." In that approach, there is no systematic way to explore trade-offs or determine logical next steps. It is neither possible to account for multiple real-world constraints up front in design nor possible to know what performance is possible with a given design. Since unmanned vehicles are sized and optimized for the particular mission, a modern low-fidelity conceptual design and sizing tool that has been used for the design of large helicopters can be used for design of small coaxial rotorcraft. However, unlike most helicopters with single main rotor, the interactions between the upper and lower rotors emerge as an important factor to consider in design because an increase in performance of a multi-rotor system is not proportional to the number of rotors. Interference losses and differences in thrusts between the upper and lower rotors were investigated by theoretical methods as well as a computational fluid dynamics (CFD) method using the Reynolds-Averaged Navier-Stokes (RANS) equations. In this work, hybrid turbulence models are used to investigate the physics of interactions between coaxial rotors and a fuselage that are not well understood. Present study covers not only small-scale drones but also large-scale coaxial rotors for heavy-lifting missions. Considering the recently proposed FAA drone rules that require the flight only in visual line-of-sight, a large multirotor might be used as an airborne carrier for launch and recovery of unmanned aircraft systems with a human operator onboard. For applications to civil operations, their aerodynamic performance and noise levels need to be assessed. Noise is one of the largest limiting factors to rotorcraft operations in urban area. Since the high-frequency noise of multi-rotors may increase the annoyance, noise may turn out to be a key issue that must be addressed for market acceptability. One of the objectives of the present work is to study the effects of inter-rotor spacing and collectives on the performance, efficiency, and acoustics of coaxial rotor systems.

Study↗

Bulk-Flow Analysis of Hybrid Thrust Bearings for Advanced Cryogenic Turbopumps

A bulk-flow analysis and computer program for prediction of the static load performance and dynamic force coefficients of angled injection, orifice-compensated hydrostatic/hydrodynamic thrust bearings have been completed. The product of the research is an efficient computational tool for the design of high-speed thrust bearings for cryogenic fluid turbopumps. The study addresses the needs of a growing technology that requires of reliable fluid film bearings to provide the maximum operating life with optimum controllable rotordynamic characteristics at the lowest cost. The motion of a cryogenic fluid on the thin film lands of a thrust bearing is governed by a set of bulk-flow mass and momentum conservation and energy transport equations. Mass flow conservation and a simple model for momentum transport within the hydrostatic bearing recesses are also accounted for. The bulk-flow model includes flow turbulence with fluid inertia advection, Coriolis and centrifugal acceleration effects on the bearing recesses and film lands. The cryogenic fluid properties are obtained from realistic thermophysical equations of state. Turbulent bulk-flow shear parameters are based on Hirs' model with Moody's friction factor equations allowing a simple simulation for machined bearing surface roughness. A perturbation analysis leads to zeroth-order nonlinear equations governing the fluid flow for the thrust bearing operating at a static equilibrium position, and first-order linear equations describing the perturbed fluid flow for small amplitude shaft motions in the axial direction. Numerical solution to the zeroth-order flow field equations renders the bearing flow rate, thrust load, drag torque and power dissipation. Solution to the first-order equations determines the axial stiffness, damping and inertia force coefficients. The computational method uses well established algorithms and generic subprograms available from prior developments. The Fortran9O computer program hydrothrust runs on a Windows 95/NT personal computer. The program, help files and examples are licensed by Texas A&M University Technology License Office. The study of the static and dynamic performance of two hydrostatic/hydrodynamic bearings demonstrates the importance of centrifugal and advection fluid inertia effects for operation at high rotational speeds. The first example considers a conceptual hydrostatic thrust bearing for an advanced liquid hydrogen turbopump operating at 170,000 rpm. The large axial stiffness and damping coefficients of the bearing should provide accurate control and axial positioning of the turbopump and also allow for unshrouded impellers, therefore increasing the overall pump efficiency. The second bearing uses a refrigerant R134a, and its application in oil-free air conditioning compressors is of great technological importance and commercial value. The computed predictions reveal that the LH2 bearing load capacity and flow rate increase with the recess pressure (i.e. increasing orifice diameters). The bearing axial stiffness has a maximum for a recess pressure rati of approx. 0.55. while the axial damping coefficient decreases as the recess pressure ratio increases. The computer results from three flow models are compared. These models are a) inertialess, b) fluid inertia at recess edges only, and c) full fluid inertia at both recess edges and film lands. The full inertia model shows the lowest flow rates, axial load capacity and stiffness coefficient but on the other hand renders the largest damping coefficients and inertia coefficients. The most important findings are related to the reduction of the outflow through the inner radius and the appearance of subambient pressures. The performance of the refrigerant hybrid thrust bearing is evaluated at two operating speeds and pressure drops. The computed results are presented in dimensionless form to evidence consistent trends in the bearing performance characteristics. As the applied axial load increases, the bearing film thickness and flow rate decrease while the recess pressure increases. The axial stiffness coefficient shows a maximum for a certain intermediate load while the damping coefficient steadily increases. The computed results evidence the paramount of centrifugal fluid inertia at low recess pressures (i.e. low loads), and where there is actually an inflow through the bearing inner diameter, accompanied by subambient pressures just downstream of the bearing recess edge. These results are solely due to centrifugal fluid inertia and advection transport effects. Recommendations include the extension of the computer program to handle flexure pivot tilting pad hybrid bearings and the ability to calculate moment coefficients for shaft angular misalignments.

SanAndres, Luis↗

A New Measurement of the Neutron Electric Form Factor with the Super Bigbite Spectrometer Apparatus

Protons and neutrons, collectively known as nucleons, make up the nuclei at the core of atoms which form our world. The nucleon has been under intensive study for over 100 years, and yet we still do not fully understand the internal dynamics which govern properties like its spin or its mass-which contributes to almost all of the visible mass in the universe. These dynamics are governed by quantum chromodynamics(QCD), the predictions of which are experimentally tested at high energy accelerator facilities such as Jefferson Lab. TheGEN-II experiment (E12-09-016) is one such experiment. GEN-II is part of the Super Bigbite Spectrometer (SBS) experimental form factor pro gramme taking place in Hall A at Jefferson Lab, which aims to make precision measurements of the nucleon electromagnetic form factors(EMFFs)at record high values of squared four momentum transfer ¿2. EMFFs describe the electric and magnetic moment distributions within the nucleon. They can be measured through elastic electron scattering off the nucleon, and describe the recoil response of the target nucleon at a given energy scale. GEN-II is a double polarized semi-exclusive beam target asymmetry (BTA) experiment, seeking to measure the electric form factor of the neutron,¿¿ ¿,at three new values of squared four-momentum transfer¿2 =2.92,6.74and9.82GeV². The latter two points being at record high ¿2. The form factor is determined through measuring the BTA of quasielliptical scattering of a neutron from a polarized nuclear target. The experiment utilized the CEBAF accelerator to produce longitudinally polarized electrons up to ~85% polarization, which were scattered off neutrons within a novel polarized helium-3 (³He) target. This new polarized ³He target was employed by building on the technology of its precursors which existed in similar preceding experiments. This target was designed to operate at the high luminosities typical of Hall A, and reached a record breaking combination of polarization and beam intensity known as figure of merit, three times larger than those predecessors. The SBS collaboration designed and constructed two brand new high acceptance spectrometers for these experiments, an electron arm named Bigbite (BB) and a hadron arm named Super Bigbite. Both spectrometers featured a large acceptance EM dipole magnet, and complementary detector systems. The electron arm contained gaseous electronmultipliers(GEMs) which were used for high precision tracking of the scattered electrons, a heavy gas cherenkov (GRINCH) which was used for PID between electrons and pions, a plastic i ii scintillator timing hodoscope to provide high resolution timing of the start of events, and a pair of EM calorimeters (BBCal) which provided energy measurements of detected particles, and provided the experimental trigger. The hadron arm also contained a system of GEMs which will be utilized for future SBS experiments, and a hadron calorimeter designed to provide position, timing and energy measurements of the recoiling nucleon. The calibration of all detector subsystems, beam and target data is discussed, with a focus on novel timing calibrations to the hodoscope and hadron calorimeter. An analysis of selecting quasielliptical events and suppressing background contributions from a number of sources which contaminate the final event sample is given. The largest irreducible backgrounds are found to be from misidentified protons, timing accidentals and inelastic events. The physical asymmetry is measured and used to extract a value for the form factor ratio ¿¿ ¿/¿¿ ¿. High precision ¿2 data for ¿¿ ¿ is used to then extract ¿¿ ¿. This work finds at ¿2 = 2.92 GeV2 that ¿¿ ¿ = 0.0129+0.0019 -0.0020. This result is in statistical agreement with existing fits to world data, and predictions from the constituent quark model and Dyson–Schwinger equations, in this region of ¿2.

Penman, Gary [Univ. of Glasgow, Scotland (United K↗

Development of five-moment two-fluid modeling for Z-pinch physics

The Z-pinch m = 0 instability as well as its stabilization by radially sheared axial flow is studied using the nonlinear ideal five-moment twofluid (5M2F) model with an extension of that model to include Braginskii heat and momentum transport. Using the ideal 5M2F model, linear growth rate results are compared with prior work using MHD and Hall MHD. At small normalized wavenumber, 1 < k a < 4 , where a is the effective pinch radius, 5M2F results agree with Hall MHD within 20% in scenarios without radially sheared axial flow. With the sheared flow and focusing on ka = 10/3, agreement with Hall MHD is excellent. In the limit of small ion inertial length, results also match with MHD. A comparison with PIC modeling of shear-free m = 0 stability focuses on a plasma scenario based on recent experimental results. In a scan of mode wavenumber, ideal 5M2F results are qualitatively similar to PIC: the growth rate rises to a peak at a moderate wavenumber and declines at a large wavenumber in contrast to MHD results, which show the saturation of the growth rate with the increasing wavenumber rather than a decline. The peak normalized 5M2F growth rate is &#x3B3; &#x3C4; A = 1.5 , where sA is the Alfven transit time across the pinch. The peak occurs at normalized wavenumber ka = 10. For comparison, PIC results have a peak growth of &#x3B3; &#x3C4; A = 0.77 at ka = 5. Including Braginskiibased closure of the 5M2F model does not qualitatively change the ideal results in this particular case. Nonlinear saturation is studied using the 5M2F model with the dissipative Braginskii-based closure in cases with pinch-edge sheared-flow speed equal to half the Alfven speed. Nonlinear mixing due to the sheared flow yields a quasi-steady state after modest losses of pinch ion inventory and pinch thermal energy, approximately 30% and 10%, respectively. 5M2F modeling captures the essential physics of m = 0 instability and offers a computationally tractable route to high-fidelity modeling of 3D Z-pinch behavior, including m = 1 instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Analysis and Design of Variable Stiffness Composite Cylinders

An investigation of the possible performance improvements of thin circular cylindrical shells through the use of the variable stiffness concept is presented. The variable stiffness concept implies that the stiffness parameters change spatially throughout the structure. This situation is achieved mainly through the use of curvilinear fibers within a fiber-reinforced composite laminate, though the possibility of thickness variations and discrete stiffening elements is also allowed. These three mechanisms are incorporated into the constitutive laws for thin shells through the use of Classical Lamination Theory. The existence of stiffness variation within the structure warrants a formulation of the static equilibrium equations from the most basic principles. The governing equations include sufficient detail to correctly model several types of nonlinearity, including the formation of a nonlinear shell boundary layer as well as the Brazier effect due to nonlinear bending of long cylinders. Stress analysis and initial buckling estimates are formulated for a general variable stiffness cylinder. Results and comparisons for several simplifications of these highly complex governing equations are presented so that the ensuing numerical solutions are considered reliable and efficient enough for in-depth optimization studies. Four distinct cases of loading and stiffness variation are chosen to investigate possible areas of improvement that the variable stiffness concept may offer over traditional constant stiffness and/or stiffened structures. The initial investigation deals with the simplest solution for cylindrical shells in which all quantities are constant around the circumference of the cylinder. This axisymmetric case includes a stiffness variation exclusively in the axial direction, and the only pertinent loading scenarios include constant loads of axial compression, pressure, and torsion. The results for these cases indicate that little improvement over traditional laminates exists through the use of curvilinear fibers, mainly due to the presence of a weak link area within the stiffness variation that limits the ultimate load that the structure can withstand. Rigorous optimization studies reveal that even though slight increases in the critical loads can be produced for designs with an arbitrary variation of the fiber orientation angle, the improvements are not significant when compared to traditional design techniques that utilize ring stiffeners and frames. The second problem that is studied involves arbitrary loading of a cylinder with a stiffness variation that changes only in the circumferential direction. The end effects of the cylinder are ignored, so that the problem takes the form of an analysis of a cross-section for a short cylinder segment. Various load cases including axial compression, pressure, torsion, bending, and transverse shear forces are investigated. It is found that the most significant improvements in load-carrying capability exist for cases which involve loads that also vary around the circumference of the shell, namely bending and shear forces. The stiffness variation of the optimal designs contribute to the increased performance in two ways: lowering the stresses in the critical areas through redistribution of the stresses; and providing a relatively stiff region that alters the buckling behavior of the structure. These results lead to an in-depth optimization study involving weight optimization of a fuselage structure subjected to typical design constraints. Comparisons of the curvilinear fiber format to traditional stiffened structures constructed of isotropic and composite materials are included. It is found that standard variable stiffness designs are quite comparable in terms of weight and load-carrying capability yet offer the added advantage of tailorability of distinct regions of the structure that experience drastically different loading conditions. The last two problems presented in this work involve the nonlinear phenomenon of long tubes under bending. Though this scenario is not as applicable to fuselage structures as the previous problems, the mechanisms that produce the nonlinear effect are ideally suited to be controlled by the variable stiffness concept. This is due to the fact that the dominating influence for long cylinders under bending is the ovalization of the cross-section, which is governed mainly by the stiffness parameters of the cylindrical shell. Possible improvement of the critical buckling moments for these structures is investigated using either a circumferential or axial stiffness variation. For the circumferential case involving infinite length cylinders, it is found that slight improvements can be observed by designing structures that resist the cross-sectional deformation yet do not detract from the buckling resistance at the critical location. The results also indicate that buckling behavior is extremely dependent on cylinder length. This effect is most easily seen in the solution of finite length cylinders under bending that contain an axial stiffness variation. For these structures, the only mechanism that exhibits improved response are those that effectively shorten the length of the cylinder, thus reducing the cross-sectional deformation due to the forced restraint at the ends. It was found that the use of curvilinear fibers was not able to achieve this effect in sufficient degree to resist the deformation, but that ring stiffeners produced the desired response admirably. Thus, it is shown that the variable stiffness concept is most effective at improving the bending response of long cylinders through the use of a circumferential stiffness variation.

Tatting, Brian F.↗