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At least 1,531 records · Page 85

Socorro Electronic Structure Software

Socorro can be used to compute the ground-state electron density for a periodically repeated simulation cell in which the external potential is obtained from norm-conserving pseudopotentials or projector-augmented-wave functions. The ground-state electron density is computed by summation over one-electron orbitals which are obtained using the Kohn-Sham formulation of density-functional theory and which are expanded in a plane-wave basis. Various quantities can be computed from the ground-state solution, including atomic forces which can be used to optimize atom positions in the simulation cell and to perform molecular dynamics simulations.

Foiles, StephenM↗

Socorro Electronic Structure Software

Socorro can be used to compute the ground-state electron density for a periodically repeated simulation cell in which the external potential is obtained from norm-conserving pseudopotentials or projector-augmented-wave functions. The ground-state electron density is computed by summation over one-electron orbitals which are obtained using the Kohn-Sham formulation of density-functional theory and which are expanded in a plane-wave basis. Various quantities can be computed from the ground-state solution, including atomic forces which can be used to optimize atom positions in the simulation cell and to perform molecular dynamics simulations.

Foiles, Stephen M↗

Design Paradigm for Modular Multilevel Converter-Based Generator Rectifier Systems

Modular Multilevel Converters (MMC) are being widely considered for medium to high voltage DC applications. Designing such converters through multi-objective optimization is of interest because such an approach allows the trade-off between competing objectives (for example mass and loss) to be explicitly and quantitatively identified. In this work, an optimization based design paradigm for MMC based generator rectifier systems is proposed. Such development typically requires detailed component design and simulation models for the electric machine and converter which are computationally expensive. As an alternative, the proposed work utilizes an electric machine metamodel, inductor metamodel, and high-speed steady-state simulation model for the MMC to facilitate multi-objective optimization minimizing system metrics of interest while satisfying system constraints. A case study is undertaken to demonstrate the functionality of the proposed design paradigm.

42 ENGINEERING↗

High Power Solid Target for Positron Source at CEBAF

The progress in the development of a polarized positron injector for the Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Laboratory is presented. The polarized positron beam is generated by a high current polarized electron beam (>1 mA @ 120 MeV) via bremsstrahlung radiation and e+e- pair production in the tungsten target. The simulations show that using an optimized target and positron beamline, the positron injector can provide a cw positron beam with a current larger than 50 nA and a polarization as large as 60%. Injected into the North Linac of CEBAF at an energy of 123 MeV, the positron beam can reach a maximum energy of 12 GeV to perform a rich experimental program. The results of the thermal and structural FEA analysis of the heat load in the target are presented, as well as the simulation results of radiation damage in the target. The performed and planned target material fatigue and radiation damage tests are discussed. This work is supported by the U.S. DOE, Office of Science, Office of Nuclear Physics, Contract No. DE-AC05-06OR23177 and the European Union?s Horizon 2020 research and innovation program under grant agreement No. 824093.

Ushakov, Andriy↗

Mapping the performance of a versatile water-based condensation particle counter (vWCPC) with numerical simulation and experimental study

Accurate airborne aerosol instrumentation is required to determine the spatial distribution of ambient aerosol particles, particularly when dealing with the complex vertical profiles and horizontal variations of atmospheric aerosols. A versatile water-based condensation particle counter (vWCPC) has been developed to provide aerosol concentration measurements under various environments with the advantage of reducing the health and safety concerns associated with using butanol or other chemicals as the working fluid. However, the airborne deployment of vWCPCs is relatively limited due to the lack of characterization of vWCPC performance at reduced pressures. Given the complex combinations of operating parameters in vWCPCs, modeling studies have advantages in mapping vWCPC performance. In this work, we thoroughly investigated the performance of a laminar-flow vWCPC using COMSOL Multiphysics® simulation coupled with MATLAB™. We compared it against a modified vWCPC (vWCPC model 3789, TSI, Shoreview, MN, USA). Our simulation determined the performance of particle activation and droplet growth in the vWCPC growth tube, including the supersaturation, $D$ p,kel,0 (smallest size of particle that can be activated), $D$ p,kel,50 (particle size activated with 50 % efficiency) profile, and final growth particle size D d under wide operating temperatures, inlet pressures $P$ (30–101 kPa), and growth tube geometry (diameter $D$ and initiator length $L$ ini ). The effect of inlet pressure and conditioner temperature on vWCPC 3789 performance was also examined and compared with laboratory experiments. The COMSOL simulation result showed that increasing the temperature difference (Δ$T$) between conditioner temperature $T$ con and initiator $T$ ini will reduce $D$ p,kel,0 and the cut-off size $D$ p,kel,50 of the vWCPC. In addition, lowering the temperature midpoint ($T$ mid = $\frac{T_{con}+T_{ini}}{2}$ increases the supersaturation and slightly decreases the $D$ p,kel . The droplet size at the end of the growth tube is not significantly dependent on raising or lowering the temperature midpoint but significantly decreases at reduced inlet pressure, which indirectly alters the vWCPC empirical cut-off size. Our study shows that the current simulated growth tube geometry ($D$=6.3 mm and $L$ ini =30 mm) is an optimized choice for current vWCPC flow and temperature settings. The current simulation can more realistically represent the $D$ p,kel for 7 nm vWCPC and also achieved good agreement with the 2 nm setting. Using the new simulation approach, we provide an optimized operation setting for the 7 nm setting. This study will guide further vWCPC performance optimization for applications requiring precise particle detection and atmospheric aerosol monitoring.

47 OTHER INSTRUMENTATION↗

A novel high-temperature MAS probe with optimized temperature gradient across sample rotor for in-situ monitoring of high-temperature high-pressure chemical reactions

We present a novel nuclear magnetic resonance (NMR) probe design focused on optimizing the temperature gradient across the sample for high temperature magic angle spinning (MAS) experiments using standard rotors. Computational flow dynamics (CFD) simulations were used to assess and optimize the temperature gradient across the sample under MAS conditions. The chemical shift and linewidth of 207 Pb direct polarization in lead nitrate were used to calibrate the sample temperature and temperature gradient, respectively. A temperature gradient of less than 3 °C across the sample was obtained by heating bearing gas flows and adjusting its temperature and flow rate during variable temperature (VT) experiments. A maximum temperature of 350 °C was achieved in this probe using a Varian 5 mm MAS rotor with standard Vespel drive tips and end caps. Time-resolved 13 C and 1 H MAS NMR experiments were performed at 325 °C and 60 bar to monitor an in-situ mixed phase reverse water gas shift reaction, industrial synthesis of CH 3 OH from a mixture of CO 2 and H 2 with a Cu/ZnO/Al 2 O 3 catalyst, demonstrating the first in-situ NMR monitoring of a chemical system at temperatures higher than 250 °C in a pressurized environment. Lastly, the combination of this high-temperature probe and high-pressure rotors will allow for in-situ NMR studies of a great variety of chemical reactions that are inaccessible to conventional NMR setup.

47 OTHER INSTRUMENTATION↗

Optimization of closed Brayton cycles for space power generation

A development status evaluation is presented for methods that allow accurate preliminary design and optimization of closed Brayton cycle engines for space electrical power generation. The basis for such work is the Closed Cycle Engine Performance simulation code, in conjunction with the optimization code COPES/ADS; the joining of the two codes has greatly expedited the optimization process. Attention is given to a variety of other model-versatility enhancers.

Hanlon, James C.↗

Reducing Landing Site Contamination Using 3-D Trajectory Optimization for Surface Hoppers

Rocket-powered vehicles utilizing Vertical Take-off Vertical Landing (VTVL) are a compelling alternative to surface rovers for exploring planetary and lunar bodies. These so called “hoppers” provide enhanced mobility for accessing locations difficult to reach, and over a wider region of the surface. However, contamination and plume interactions from rocket exhaust deposited at landing sites is anticipated since landing approaches are typically along a vertical direction during the final descent. Consequently, exhaust products may alter the surface chemistry, potentially confounding compositional analysis for samples collected in the vicinity of the landing site or jeopardize mining efforts. There has been no rigorous study on flight maneuvers that can mitigate plume-to-surface interactions. A multi-objective optimization tool has been developed to simulate propulsive hops on a planetary body and minimize both fuel consumption and site alterations. Trajectories are derived by multi-objective optimization and include solutions with significant reduction in contamination for a modest increase in fuel consumption. For these solutions, surface-to-surface propulsive transfer is demonstrated, but the method can also be modified for orbit-to-surface transfers (e.g., landers).

guidance↗

Reducing Landing Site Contamination Using 3-D Trajectory Optimization for Surface Hoppers

Rocket-powered vehicles utilizing Vertical Take-off Vertical Landing (VTVL) are a compelling alternative to surface rovers for exploring planetary and lunar bodies. These so called “hoppers” provide enhanced mobility for accessing locations difficult to reach, and over a wider region of the surface. However, contamination and plume interactions from rocket exhaust deposited at landing sites is anticipated since landing approaches are typically along a vertical direction during the final descent. Consequently, exhaust products may alter the surface chemistry, potentially confounding compositional analysis for samples collected in the vicinity of the landing site or jeopardize mining efforts. There has been no rigorous study on flight maneuvers that can mitigate plume-to-surface interactions. A multi-objective optimization tool has been developed to simulate propulsive hops on a planetary body and minimize both fuel consumption and site alterations. Trajectories are derived by multi-objective optimization and include solutions with significant reduction in contamination for a modest in-crease in fuel consumption. For these solutions, surface-to-surface propulsive transfer is demonstrated, but the method can also be modified for orbit-to-surface transfers (e.g., landers).

guidance↗

Modelica-based modeling and simulation of district cooling systems: A case study

While equation-based object-oriented modeling language Modelica can evaluate practical energy improvements for district cooling systems, few have adopted Modelica for this type of large-scale thermo-fluid system. Further, to our best knowledge, district cooling modeling studies have yet to include hydraulics in piping networks alongside plant models featuring realistic mechanical systems and controls. These are critical details to include when looking to make energy and control improvements in many physical system installations. To fill these gaps, this study released new open-source district cooling models at the Modelica Buildings Library and leveraged these models for a real-world case study at the University of Colorado Boulder. Here, the site includes six buildings connected to a central chiller plant featuring a waterside economizer. Several energy saving strategies are pursued based on the validated model, including control setpoint optimization, equipment modification, and pump setpoint adjustments. Results indicate that a combination of the studied measures can save the campus annually 84.6 MWh of energy, 8.9% of electricity costs, 58.0 metric tons of carbon dioxide emissions, while the waterside economizer cuts down chillers’ run times by 201 days/year, reducing maintenance costs and extending chiller life.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

TRANSP-based optimization towards tokamak scenario development

An optimization approach that incorporates the predictive transport code TRANSP is proposed for tokamak scenario development. Optimization methods are often employed to develop open-loop control strategies to aid access to high performance tokamak scenarios. Generally, the optimization approaches use control-oriented models, i.e. models that are reduced in complexity and prediction accuracy as compared to physics-oriented transport codes such as TRANSP. In the presented approach, an optimization procedure using the TRANSP code to simulate the tokamak plasma is considered for improved predictive capabilities. As a test case, the neutral beam injection (NBI) power is optimized to develop a control strategy that maximizes the noninductive current fraction during the ramp-up phase for NSTX-U. Simulation studies towards the achievement of noninductive ramp-up in NSTX-U have already been carried out with the TRANSP code. The optimization-based approach presented in this work is used to maximize the noninductive current fraction during ramp-up in NSTX-U, demonstrating that the scenario development task can be automated. An additional test case considers optimization of the current ramp rate in DIII-D for obtaining a stationary plasma characterized by a flat loop voltage profile in the flattop phase.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A trajectory planning scheme for spacecraft in the space station environment

Simulated annealing is used to solve a minimum fuel trajectory problem in the space station environment. The environment is special because the space station will define a multivehicle environment in space. The optimization surface is a complex nonlinear function of the initial conditions of the chase and target crafts. Small permutations in the input conditions can result in abrupt changes to the optimization surface. Since no prior knowledge about the number or location of local minima on the surface is available, the optimization must be capable of functioning on a multimodal surface. It was reported in the literature that the simulated annealing algorithm is more effective on such surfaces than descent techniques using random starting points. The simulated annealing optimization was found to be capable of identifying a minimum fuel, two-burn trajectory subject to four constraints which are integrated into the optimization using a barrier method. The computations required to solve the optimization are fast enough that missions could be planned on board the space station. Potential applications for on board planning of missions are numerous. Future research topics may include optimal planning of multi-waypoint maneuvers using a knowledge base to guide the optimization, and a study aimed at developing robust annealing schedules for potential on board missions.

Soller, Jeffrey Alan↗

Simulation evaluation of a low-altitude helicopter flight guidance system adapted for a helmet-mounted display

A computer aiding concept for low-altitude helicopter flight was developed and evaluated in a real-time piloted simulation. The concept included an optimal control trajectory-generation algorithm based upon dynamic programming and a helmet-mounted display (HMD) presentation of a pathway-in-the-sky, a phantom aircraft, and flight-path vector/predictor guidance symbology. The trajectory-generation algorithm uses knowledge of the global mission requirements, a digital terrain map, aircraft performance capabilities, and advanced navigation information to determine a trajectory between mission way points that seeks valleys to minimize threat exposure. The pilot evaluation was conducted at NASA ARC moving base Vertical Motion Simulator (VMS) by pilots representing NASA, the U.S. Army, the Air Force, and the helicopter industry. The pilots manually tracked the trajectory generated by the algorithm utilizing the HMD symbology. The pilots were able to satisfactorily perform the tracking tasks while maintaining a high degree of awareness of the outside world.

Swenson, Harry N.↗

Optimal control computer programs

The solution of the optimal control problem, even with low order dynamical systems, can usually strain the analytical ability of most engineers. The understanding of this subject matter, therefore, would be greatly enhanced if a software package existed that could simulate simple generic problems. Surprisingly, despite a great abundance of commercially available control software, few, if any, address the part of optimal control in its most generic form. The purpose of this paper is, therefore, to present a simple computer program that will perform simulations of optimal control problems that arise from the first necessary condition and the Pontryagin's maximum principle.

Kuo, F.↗

Concurrent Probabilistic Simulation of High Temperature Composite Structural Response

A computational structural/material analysis and design tool which would meet industry's future demand for expedience and reduced cost is presented. This unique software 'GENOA' is dedicated to parallel and high speed analysis to perform probabilistic evaluation of high temperature composite response of aerospace systems. The development is based on detailed integration and modification of diverse fields of specialized analysis techniques and mathematical models to combine their latest innovative capabilities into a commercially viable software package. The technique is specifically designed to exploit the availability of processors to perform computationally intense probabilistic analysis assessing uncertainties in structural reliability analysis and composite micromechanics. The primary objectives which were achieved in performing the development were: (1) Utilization of the power of parallel processing and static/dynamic load balancing optimization to make the complex simulation of structure, material and processing of high temperature composite affordable; (2) Computational integration and synchronization of probabilistic mathematics, structural/material mechanics and parallel computing; (3) Implementation of an innovative multi-level domain decomposition technique to identify the inherent parallelism, and increasing convergence rates through high- and low-level processor assignment; (4) Creating the framework for Portable Paralleled architecture for the machine independent Multi Instruction Multi Data, (MIMD), Single Instruction Multi Data (SIMD), hybrid and distributed workstation type of computers; and (5) Market evaluation. The results of Phase-2 effort provides a good basis for continuation and warrants Phase-3 government, and industry partnership.

Abdi, Frank↗

Implicit Formulation of Muscle Dynamics in OpenSim

Astronauts lose bone and muscle mass during spaceflight. Exercise countermeasure is the primary method for counteracting bone and muscle mass loss in space. New spacecraft exercise device concepts are currently being developed for the NASAs new crew exploration vehicle. The NASA Digital Astronaut Project (DAP) uses computational modeling to help determine if the new exercise devices will be effective as countermeasures. The NASA Digital Astronaut Project is developing the ability to utilize predictive simulation to provide insight into the change in kinematics and kinetics with a change in device and gravitational environment (1-g versus 0-g). For example, in space exercise the subject's body weight is applied in addition to the loads prescribed for musculoskeletal maintenance. How and where these loads are applied obviously directly impacts bone and tissue loads. Additionally, due to space vehicle structural requirements, exercise devices are often placed on vibration isolation systems. This changes the apparent impedance or stiffness of the device as seen by the user. Data collection under these conditions is often impractical and limited. Predictive modeling provides a means to have a virtual subject to test hypotheses. Predictive simulation provides a virtual subject for which we are able to perform studies such as sensitivity to device loading and vibration isolation without the need for laboratory kinematic or kinetic test data.Direct Collocation optimization provides an efficient means to perform task based optimization and predictive modeling. It is relatively straight forward to structure a physical exercise task in a Direct Collocation mathematical formulation: perform a motion such that you start at an initial pose, achieve a given amount of deflection i.e a squat, return to the initial pose, and minimize muscle activation cost. Direct Collocation is advantageous in that it does not require numerical integration to evaluate the objective function. Instead, the system dynamics are transformed to discrete time and the optimizer is constrained such that the solution is not considered to be a valid unless the dynamic equations are satisfied at all time points. The simulation and optimization are effectively done simultaneously. Due to the implicit integration, time steps can be more coarse than in a differential equation solver. In a gait scenario this means that that the model constraints and cost function are evaluated at 100 nodes in the gait cycle versus 10,000 integration steps in a variable-step forward dynamic simulation. Furthermore, no time is wasted on accurate simulations of movements that are far from the optimum. Constrained optimization algorithms require a Jacobian matrix that contains the partial derivatives of each of the dynamic constraints with respect to of each of the state and control variables at all time points. This is a large but sparse matrix. An implicit dynamics formulation requires computation of the dynamic residuals f as a function of the states x and their derivatives, and controls u:f(x, dxdt, u) 0If the dynamics of musculoskeletal system are formulated implicitly, the Jacobian elements are often available analytically, eliminating the need for numerical differentiation; this is obviously computationally advantageous. Additionally, implicit formulation of musculoskeletal dynamics do not suffer from singularities from low mass bodies, zero muscle activation, or other stiff system or

physical exercise↗

Computer aiding for low-altitude helicopter flight

A computer-aiding concept for low-altitude helicopter flight was developed and evaluated in a real-time piloted simulation. The concept included an optimal control trajectory-generated algorithm based on dynamic programming, and a head-up display (HUD) presentation of a pathway-in-the-sky, a phantom aircraft, and flight-path vector/predictor symbol. The trajectory-generation algorithm uses knowledge of the global mission requirements, a digital terrain map, aircraft performance capabilities, and advanced navigation information to determine a trajectory between mission waypoints that minimizes threat exposure by seeking valleys. The pilot evaluation was conducted at NASA Ames Research Center's Sim Lab facility in both the fixed-base Interchangeable Cab (ICAB) simulator and the moving-base Vertical Motion Simulator (VMS) by pilots representing NASA, the U.S. Army, and the U.S. Air Force. The pilots manually tracked the trajectory generated by the algorithm utilizing the HUD symbology. They were able to satisfactorily perform the tracking tasks while maintaining a high degree of awareness of the outside world.

Swenson, Harry N.↗

Computer aiding for low-altitude helicopter flight

A computer-aiding concept for low-altitude helicopter flight was developed and evaluated in a real-time piloted simulation. The concept included an optimal control trajectory-generated algorithm based on dynamic programming, and a head-up display (HUD) presentation of a pathway-in-the-sky, a phantom aircraft, and flight-path vector/predictor symbol. The trajectory-generation algorithm uses knowledge of the global mission requirements, a digital terrain map, aircraft performance capabilities, and advanced navigation information to determine a trajectory between mission waypoints that minimizes threat exposure by seeking valleys. The pilot evaluation was conducted at NASA Ames Research Center's Sim Lab facility in both the fixed-base Interchangeable Cab (ICAB) simulator and the moving-base Vertical Motion Simulator (VMS) by pilots representing NASA, the U.S. Army, and the U.S. Air Force. The pilots manually tracked the trajectory generated by the algorithm utilizing the HUD symbology. They were able to satisfactorily perform the tracking tasks while maintaining a high degree of awareness of the outside world.

Swenson, Harry N.↗