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DOE OSTI2022

The impact of hurricane disturbances on a tropical forest: implementing a palm plant functional type and hurricane disturbance module in ED2-HuDi V1.0

Hurricanes commonly disturb and damage tropical forests. Hurricane frequency and intensity are predicted to change under the changing climate. The short-term impacts of hurricane disturbances to tropical forests have been widely studied, but the long-term impacts are rarely investigated. Modeling is critical to investigate the potential response of forests to future disturbances, particularly if the nature of the disturbances is changing with climate. Unfortunately, existing models of forest dynamics are not presently able to account for hurricane disturbances. Therefore, we implement the Hurricane Disturbance in the Ecosystem Demography model (ED2) (ED2-HuDi). The hurricane disturbance includes hurricane-induced immediate mortality and subsequent recovery modules. The parameterizations are based on observations at the Bisley Experimental Watersheds (BEW) in the Luquillo Experimental Forest in Puerto Rico. We add one new plant functional type (PFT) to the model – Palm, as palms cannot be categorized into one of the current existing PFTs and are known to be an abundant component of tropical forests worldwide. The model is calibrated with observations at BEW using the generalized likelihood uncertainty estimation (GLUE) approach. The optimal simulation obtained from GLUE has a mean relative error of –21 %, –12 %, and –15 % for stem density, basal area, and aboveground biomass, respectively. The optimal simulation also agrees well with the observation in terms of PFT composition (+1 %, –8 %, –2 %, and +9 % differences in the percentages of “Early”, “Mid”, “Late”, and “Palm” PFTs, respectively) and size structure of the forest (+0.8 % differences in the percentage of large stems). Lastly, using the optimal parameter set, we study the impact of forest initial condition on the recovery of the forest from a single hurricane disturbance. The results indicate that, compared to a no-hurricane scenario, a single hurricane disturbance has little impact on forest structure (+1 % change in the percentage of large stems) and composition (<1 % change in the percentage of each of the four PFTs) but leads to 5 % higher aboveground biomass after 80 years of succession. The assumption of a less severe hurricane disturbance leads to a 4 % increase in aboveground biomass.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2019

Adjoint-Based Mesh Adaptation and Shape Optimization for Simulations with Propulsion

Objectives: Reliable evaluation of mass flow rates through permeable boundaries - Estimate and control discretization error- Consider both computational domain outflow and inflow- Applicable to simulating propulsion-system effects, as well as secondary flow paths - Explore feasibility of handling more general outputs at domain boundaries. Design optimization subject to mass-flow-rate constraints - Improve aerodynamic performance and reduce noise due to sonic boom - Control discretization error in design space to improve confidence in final designs.

Nemec, Marian↗

DOE OSTI2021

Parametrized Hamiltonian simulation using quantum optimal control

Analog quantum simulation offers a hardware-specific approach to studying quantum dynamics, but mapping a model Hamiltonian onto the available device parameters requires matching the hardware dynamics. In this work, we introduce a paradigm for quantum Hamiltonian simulation that leverages digital decomposition techniques and optimal control to perform analog simulation. We validate this approach by constructing the optimal analog controls for a superconducting transmon device to emulate the dynamics of an extended Bose-Hubbard model. We demonstrate the role of control time, digital error, and pulse complexity, and we explore the accuracy and robustness of these controls. We conclude by discussing the opportunity for implementing this paradigm in near-term quantum devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Simultaneous optimization of simulated moving bed adsorption and distillation for 2,3‐butanediol recovery

Abstract A combined simulated moving bed (SMB) and distillation separation scheme is developed to recover 2,3‐butanediol (BDO) from a dilute fermentation broth. The scheme was integrated into a lignocellulosic biorefinery that produces hydrocarbon fuels from corn stover with BDO as an intermediate. BDO recovery is one of the most challenging processes in this biorefinery; and given the high associated energy duties, direct distillation is considered cost‐prohibitive. An alternative separation is SMB adsorption in nanoporous materials, which can reject 90% of the water and reduce subsequent distillation costs. Rigorous models were used to optimize the SMB and distillation simultaneously. The separation can be added to the biorefinery while keeping the projected minimum fuel selling price (MFSP) below $0.66 USD (US dollars) per liter gasoline‐equivalent ($2.50/GGE, gallon gasoline equivalent). Finally, sensitivity analyses were conducted to assess the effects of cost and lifetime of the adsorbent, titer concentration, and BDO purity.

09 BIOMASS FUELS↗

DOE OSTI2025

Fleet Algorithm Design for Pooled Rideshare: Integrating Human Factors, Simulation, and Optimization

This dissertation explores the study the integration of human factors modeling and rideshare fleet control algorithms. Pooled rideshare is a unique transportation mode offering that allows riders increased flexibility and accessibility over public transportation, and decreased cost relative to personal vehicles or traditional rideshare. Additionally, relative to personal vehicles, pooled rideshare offers reduced costs and options for those with difficulty obtaining transportation. Prior research in the space typically focused on modeling human behavior, or optimizing system performance, but a lack of integration of the concepts leads to unrealistic or underutilized outcomes. To tackle this problem, novel rideshare assignment, and repositioning strategies were designed and implemented in a simulation environment. Through a series of successive studies, improvements to current rideshare processes were identified, and beneficial outcomes for profitability, accessibility, and traffic were explored. Further, improved metrics to assess rideshare performance were designed and analyzed in the context of improved rideshare offerings. This research contributes to the field of transportation by tackling novel but pragmatic approaches to challenges facing the rideshare industry. Through the course of this dissertation, rideshares impacts on users, operators, and even regulators will be explored in detail. The justification behind the use of a simulation environment, a set of simulated regional models for testing, and the focus on realism and deployability is illustrated. The research identifies holes in potential markets for the use of both private, and public rideshare systems.

Paul, Joseph↗

DOE OSTI2021

Probabilistic Resilience of DER Systems - A Simulation Assisted Optimization Approach

Energy systems resilience is becoming increasingly important as the frequency of major grid outages increases. In this work, we present a methodology to optimize a behind-tlie-meter distributed energy resource system to sustain a site's critical loads during a pre-defined outage period. With the fixed system design, we then propose an outage simulation approach to estimate the resilience potential of the DER system to sustain loads beyond the fixed outage period - a yearlong resilience performance analysis. We apply statistical analysis to assess the system's resilience performance over a broader parametric problem space on an hourly, monthly, and yearly basis. We demonstrate the impact of the pre-defined outage period on the resilience performance through a case study. Results show that the probability of surviving a random outage of a given duration changes from 20% to 95% when the outage is modeled for a weekday instead of a weekend for the given load-profile.

28 EE - Advanced Manufacturing Office (EE-5A)↗

DOE OSTI2021

Probabilistic Resilience of DER Systems - A Simulation Assisted Optimization Approach

Energy systems resilience is becoming increasingly important as the frequency of major grid outages increases. In this work, we present a methodology to optimize a behind-the-meter distributed energy resource system to sustain a site's critical loads during a pre-defined outage period. With the fixed system design, we then propose an outage simulation approach to estimate the resilience potential of the DER system to sustain loads beyond the fixed outage period - a yearlong resilience performance analysis. We apply statistical analysis to assess the system's resilience performance over a broader parametric problem space on an hourly, monthly, and yearly basis. We demonstrate the impact of the pre-defined outage period on the resilience performance through a case study. Results show that the probability of surviving a random outage of a given duration changes from 20% to 95% when the outage is modeled for a weekday instead of a weekend for the given load-profile.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Full-torus impurity transport simulation for optimizing plasma discharge operation using a multi-species impurity powder dropper in the large helical device

The transport of impurities supplied by a multi-species impurity powder dropper (IPD) in the large helical device (LHD) is investigated using a three-dimensional peripheral plasma fluid code (EMC3-EIRENE) coupled with a dust transport simulation code (DUSTT). The trajectories of impurity powder particles (Boron, Carbon, Iron, and Tungsten) dropped from the IPD and the impurity transport in the peripheral plasma are studied in a full-torus geometry. The simulation reveals an appropriate size of the impurity powder particles and an optimum operational range of the dust drop rates for investigating the impurity transport without inducing radiation collapse. The simulation also predicts a favourable plasma discharge condition for wall conditioning (boronization) using the IPD in order to deposit boron to high plasma flux and neutral particle density areas in the divertor region in the inboard side of the torus.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1990

Computer Simulation For Multilevel Optimization Of Design

New simulator for multilevel optimization of complex hierarchical systems reduces cost of analysis in experimentation with multilevel design-optimization algorithms. Computer program mimics qualitative behavior and data couplings that occur among subsystems of complex engineering system, such as car, aircraft, or building. Eliminates engineering analyses in subsystems by replacing them with judiciously-chosen analytical functions. Serves as tool for development of strategy for multilevel optimization of design.

Padula, Sharon L.↗

NASA NTRSDate not supplied

Performance Analysis of Magnetohydrodynamic Drag Modulation for Actively Controlled Aerocapture at Neptune

While the Ice Giants are a top priority for flagship missions in the NASA’s near-term future, current technologies limit the scientific payload and mission timeline for future Uranian and Neptunian missions due to the need for fuel for orbit insertion maneuvers. Thus, to maximize the scientific potential of future missions, atmospheric aerocapture has been heavily researched. While atmospheric aerocapture simulations have proven enabling for capturing around Neptune, its deep atmospheric pass requires an aeroshell with robust thermal protection systems (TPS). Magnetohydrodynamically-controlled aerocapture serves as a potential solution to the limitations of both fully propulsive orbit insertion and aerodynamically controlled aerocapture. Through NASA Langley’s high-fidelity flight dynamics simulation, the Program to Optimize Simulated Trajectories II, both the aerodynamic-only and magnetohydrodynamic aerocapture methods were simulated and compared for identical missions to Neptune. After applying an optimized numerical predictor-corrector guidance algorithm for both methods, the results showed that magnetohydrodynamics has not only the control authority to successfully capture around Neptune, but also the unique advantage of a shallower atmospheric pass, decreasing the maximum heat load and the required TPS mass.

Danny N. Nguyen↗

NASA NTRS1978

Human operator identification model and related computer programs

Four computer programs which provide computational assistance in the analysis of man/machine systems are reported. The programs are: (1) Modified Transfer Function Program (TF); (2) Time Varying Response Program (TVSR); (3) Optimal Simulation Program (TVOPT); and (4) Linear Identification Program (SCIDNT). The TV program converts the time domain state variable system representative to frequency domain transfer function system representation. The TVSR program computes time histories of the input/output responses of the human operator model. The TVOPT program is an optimal simulation program and is similar to TVSR in that it produces time histories of system states associated with an operator in the loop system. The differences between the two programs are presented. The SCIDNT program is an open loop identification code which operates on the simulated data from TVOPT (or TVSR) or real operator data from motion simulators.

Kessler, K. M.↗

DOE OSTI2022

Simulation and Optimization of Volatile Fatty Acid Upgrading Strategies for Sustainable Transportation Fuel Production

Underutilized wet waste is a promising feedstock for production of carbon-neutral or carbon-negative liquid transportation fuels. Arrested methanogenesis of wet wastes by microbes, which produces mixtures of C2-C8 carboxylic acids (volatile fatty acids, VFAs), is practiced industrially at a pilot scale and the VFA products can be catalytically upgraded to molecules suitable for use as transportation fuels (alcohols and alkanes) via sequential ketonization and hydrogenation, both steps of which have been demonstrated with high (>90%) yield at the lab scale. We present in this work a simulation-based decision-making framework which evaluates upgrading strategies of VFAs to alcohol- and hydrocarbon-based neat and blended diesel, jet, and gasoline fuels. The processes utilize sequential upgrading steps (ketonization and hydrogenation) accompanied by one distillation step (either separating VFAs before ketonization or alcohols after ketone hydrogenation) to form two liquid streams: a light alcohol stream best suited as a light-duty fuel and a heavy alcohol or hydrocarbon stream best suited as a diesel or jet fuel. Suitability of the liquid products as transportation fuels and maximum blending levels with petrofuels comes from simulation of critical fuel properties (boiling point, flash point, lower heating value, viscosity, melting point, water solubility, and cetane/octane number). Catalytic upgrading steps and fuel property mixing models used by the simulation are experimentally validated. We demonstrate the flexibility of the decision-making algorithm by evaluating processing scenarios for experimentally-observed VFA profiles with varied carbon chain length distributions. Processing scenarios are optimized for either maximum total renewable carbon utilization or production of heavy-duty (jet or diesel) fuels. We evaluate the economic viability and CO2 emissions of each proposed upgrading scenario using techno-economic and life cycle analyses. The decision-making framework developed in this work can also be used to down-select promising strategies for upgrading of other bio-based feedstocks to sustainable fuels and chemicals.

aviation fuel↗

DOE OSTI2025

Magnetized liner inertial fusion platform development to assess performance scaling with drive parameters

Magnetized liner inertial fusion (MagLIF) experiments have demonstrated fusion-relevant ion temperatures up to 3.1 keV and thermonuclear production of up to 1.1 × 1013 deuterium–deuterium neutrons. This performance was enabled through platform development that provided increases in applied magnetic field, coupled preheat energy, and drive current. Advanced coil designs with internal reinforcement enabled an increase from 10 to 20 T. An improved laser pulse shape, beam smoothing, and thinner laser entrance foils increased preheat energy coupling from less than 1 to 2.3 kJ. A redesign of the final transmission line and load region increased peak load current from 16 to 20 MA. The wider range of input parameters was leveraged to study target performance trends with preheat energy, applied magnetic field, and peak load current. Ion temperature and neutron yield generally followed trends in two-dimensional clean Lasnex calculations. Stagnation performance improved with peak load current when other input parameters were also increased such that convergence was maintained. This dataset suggests that reducing convergence to less than 30 would improve predictability of target performance. Lasnex was used to identify a simulation-optimized scaling path, which suggests 10+ kJ of fusion yield is possible on the Z facility with achievable input parameters. This path also indicates >10 MJ could be generated through volume burn on a future facility with a path to high yield (>200 MJ) using cryogenic dense fuel layers. The newly developed MagLIF platform enables exploration of both this simulation optimized scaling path and a recently developed similarity-scaling path.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

A Simulation and Optimization Framework for Managing Wind-Driven Loading on PV Systems

As PV modules continue to trend toward larger, thinner, and more flexible forms they grow more susceptible to damage from dynamic wind loading. As a result, understanding the impact of wind on PV systems, particularly when mounted on solar-tracking hardware, and identifying robust, stable array layouts and stow strategies is becoming increasingly important for the PV community. We are developing an open-source software package, PVade (PV aerodynamic design engineering), to simulate the cascading fluid-structure interaction that occurs within solar-tracking arrays to enable researchers to test hardware, layout, and tracker control changes, leading to enhanced stability and a reduction in wind-driven damage. We will give an overview of the PVade software and present the latest outcomes from our ongoing validation campaign in which we compare statistical structural responses with field data. From there, we will present simulated results from a larger, multi-row array and highlight the effect of varying tracker angles on stability as measured by both acceleration and deformation, focusing on the stability differences between positive and negative tilt angles.

fluid structure interaction↗

DOE OSTI2023

Simulation and Optimization of Volatile Fatty Acid Upgrading Strategies for Sustainable Transportation Fuel Production

The multicomponent nature of and variability of biomass makes chemical upgrading via a single process stream to a single end use infeasible for most feedstocks. A more promising approach is to identify upgrading strategies (encompassing bioprocessing, catalysis, and separations) which valorize varied biomass fractions to distinct products to which each is best suited. A robust procedure to carry out this goal should incorporate comparison of various upgrading procedures as well as suitability of products to a slate of identified end uses. We applied this strategy to one biomass-derived feedstock, volatile fatty acids (VFAs) derived from wet waste arrested anaerobic digestion, by developing a computer program, VFA Upgrading to Liquid Transportation fUels Refinery Estimation (VULTURE) which evaluates VFA catalytic upgrading to liquid transportation fuels. VULTURE considers multiple separations, catalysis (ketonization, hydrogenation), and fuel application options, generating hundreds of candidate scenarios for a given VFA stream, then selects several promising strategies that optimize bio-content of products with properties best suited for target fuel types. We find that VFAs are upgraded most efficiently when separate light alcohol (C3-6) and heavy hydrocarbon or alcohol (C7-13) fractions are targeted to create gasoline and heavy-duty (diesel or jet) fuels or fuel blends. Surrogate property testing of VULTURE-recommended fuels reveals that most predictive models employed are robust, while rigorous process simulation shows that the simple unit operation assumptions used in VULTURE are largely accurate, especially for heavy-duty fuel synthesis. Techno-economic and life-cycle analyses show that VFA-derived fuels are profitable and have dramatically (=57%) lower carbon intensities than fossil analogs.

BIOMASS FUELS↗

NASA NTRS1989

The use of vestibular models for design and evaluation of flight simulator motion

Quantitative models for the dynamics of the human vestibular system are applied to the design and evaluation of flight simulator platform motion. An optimal simulator motion control algorithm is generated to minimize the vector difference between perceived spatial orientation estimated in flight and in simulation. The motion controller has been implemented on the Vertical Motion Simulator at NASA Ames Research Center and evaluated experimentally through measurement of pilot performance and subjective rating during VTOL aircraft simulation. In general, pilot performance in a longitudinal tracking task (formation flight) did not appear to be sensitive to variations in platform motion condition as long as motion was present. However, pilot assessment of motion fidelity by means of a rating scale designed for this purpose, were sensitive to motion controller design. Platform motion generated with the optimal motion controller was found to be generally equivalent to that generated by conventional linear crossfeed washout. The vestibular models are used to evaluate the motion fidelity of transport category aircraft (Boeing 727) simulation in a pilot performance and simulator acceptability study at the Man-Vehicle Systems Research Facility at NASA Ames Research Center. Eighteen airline pilots, currently flying B-727, were given a series of flight scenarios in the simulator under various conditions of simulator motion. The scenarios were chosen to reflect the flight maneuvers that these pilots might expect to be given during a routine pilot proficiency check. Pilot performance and subjective rating of simulator fidelity was relatively insensitive to the motion condition, despite large differences in the amplitude of motion provided. This lack of sensitivity may be explained by means of the vestibular models, which predict little difference in the modeled motion sensations of the pilots when different motion conditions are imposed.

Bussolari, Steven R.↗

NASA NTRS2010

Simulation and Optimization of Vacuum Swing Adsorption Units for Spacesuit Carbon Dioxide and Humidity Control

Controlling carbon dioxide (CO2) and humidity levels in a spacesuit is critical to ensuring both the safety and comfort of an astronaut during extra-vehicular activity (EVA). Traditionally, this has been accomplished utilizing non-regenerative lithium hydroxide (LiOH) or regenerative metal oxide (MetOx) canisters which pose a significant weight burden. Although such technology enables air revitalization, the volume requirements to store the waste canisters as well as the mass to transport multiple units become prohibitive as mission durations increase. Consequently, motivation exists toward developing a fully regenerative technology for environmental control. The application of solid amine materials with vacuum swing adsorption technology has shown the capacity to control CO2 and concomitantly manage humidity levels through a fully regenerative cycle eliminating mission constraints imposed with non-regenerative technologies. Experimental results for full-size and sub-scale test articles have been collected and are described herein. In order to accelerate the developmental efforts, an axially-dispersed plug ow model with an accompanying energy balance has been established and correlated with the experimental data. The experimental and simulation results display good agreement for a variety of ow rates (110-170 SLM), replicated metabolic challenges (100-590 Watts), and atmosphere pressures under consideration for the spacesuit (248 and 760 mm Hg). The relationship between swing adsorption cycles for an outlet criterion of 6.0 mm Hg of CO2 partial pressure has been established for each metabolic challenge. In addition, variable metabolic profiles were imposed on the test articles in order to assess the ability of the technology to transition to new operational constraints. The advent of the model provides the capacity to apply computer-aided engineering practices to support the ongoing efforts to optimize and mature this technology for future application to space exploration.

Swickrath, Michael J.↗

NASA NTRS2011

Simulation and Optimization of Vacuum Swing Adsorption Units for Spacesuit Carbon Dioxide and Humidity Control

Controlling carbon dioxide (CO2) and humidity levels in a spacesuit is critical to ensuring both the safety and comfort of an astronaut during extra-vehicular activity (EVA). Traditionally, this has been accomplished utilizing either non-regenerative lithium hydroxide (LiOH) or regenerative but heavy metal oxide (MetOx) canisters which pose a significant weight burden. Although such technology enables air revitalization, the volume requirements to store the waste canisters as well as the mass to transport multiple units become prohibitive as mission durations increase. Consequently, motivation exists toward developing a fully regenerative technology for spacesuit environmental control. The application of solid amine materials with vacuum swing adsorption technology has shown the capacity to control CO2 while concomitantly managing humidity levels through a fully regenerative cycle eliminating constraints imposed with the traditional technologies. Prototype air revitalization units employing this technology have been fabricated in both a rectangular and cylindrical geometry. Experimental results for these test articles have been collected and are described herein. In order to accelerate the developmental efforts, an axially-dispersed plug flow model with an accompanying energy balance has been established and correlated with the experimental data. The experimental and simulation results display good agreement for a variety of flow rates (110-170 ALM), replicated metabolic challenges (100-590 Watts), and atmosphere pressures under consideration for the spacesuit (248 and 760 mm Hg). The testing and model results lend insight into the operational capabilities of these devices as well as the influence the geometry of the device has on performance. In addition, variable metabolic profiles were imposed on the test articles in order to assess the ability of the technology to transition to new metabolic conditions. The advent of the model provides the capacity to apply computer-aided engineering practices to support the ongoing efforts to optimize and mature this technology for future application to space exploration.

Swickrath, Michael J.↗