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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Global time optimal motions of robotic manipulators in the presence of obstacles

A practical method to obtain the global time optimal motions of robotic manipulators is presented. This method takes into account the nonlinear manipulator dynamics, actuator constraints, joint limits, and obstacles. Previously developed methods of optimizing manipulator motions along given paths and a local path optimization are utilized. A set of best paths is obtained first in a global search over the manipulator workspace, using graph search and hierarchical pruning techniques. These paths are used as initial conditions for a continuous path optimization to yield the global optimal motion. Examples of optimized motions of a six-degree-of-freedom manipulator, operating in a three-dimensional space with obstacles, are presented.

Shiller, Zvi↗
DOE OSTI2020

Initial conceptual demonstration of control co-design for WEC optimization

Abstract While some engineering fields have benefited from systematic design optimization studies, wave energy converters have yet to successfully incorporate such analyses into practical engineering workflows. The current iterative approach to wave energy converter design leads to sub-optimal solutions. This short paper presents an open-source MATLAB toolbox for performing design optimization studies on wave energy converters where power take-off behavior and realistic constraints can be easily included. This tool incorporates an adaptable control co-design approach, in that a constrained optimal controller is used to simulate device dynamics and populate an arbitrary objective function of the user’s choosing. A brief explanation of the tool’s structure and underlying theory is presented. To demonstrate the capabilities of the tool, verify its functionality, and begin to explore some basic wave energy converter design relationships, three conceptual case studies are presented. In particular, the importance of considering (and constraining) the magnitudes of device motion and forces in design optimization is shown.

16 TIDAL AND WAVE POWER↗
NASA NTRS1976

Optimization of continuous one-dimensional structures under steady harmonic excitation

The paper examines some questions relating to the optimal design of continuous one-dimensional structures driven by harmonically oscillating loads. Optimal-control methods are applied to a cantilever bar driven sinusoidally by an axial force at its tip to illustrate the minimum-weight design of one-dimensional structures under dynamic excitation. Realistic constraints are imposed during the optimizations, including a maximum allowable stress amplitude at any point along the bar and a minimum cross-sectional area. It is shown that in the absence of damping, the design space may contain many disjoint feasible regions, and multiple optima can exist. Detailed solutions are obtained for continuous bars with an excitation frequency less than, and then greater than, the fundamental free-vibration frequency. It is found that above a certain excitation frequency, two or more arcs with different constraints characterize the optimal designs. It is concluded that when more than two different constrained arcs characterize the optimal solution, the continuum approach may be impractical, and finite-element approximations may offer the only alternative.

Johnson, E. H.↗
NASA NTRS2017

Dynamic Control of Refractive Index During Pulsed-Laser-Deposited Waveguide Growth

Engineering the optical properties of waveguides is important for the optimization of their guided optical mode characteristics. Here, we document the dynamic control of the refractive index and composition of crystalline films, via the substrate temperature, during pulsed-laser-deposition growth of Er(1%)-doped yttrium gallium garnet on <100>-orientated single-crystal yttrium aluminium garnet. An increasing substrate temperature is observed to reduce the gallium content in the grown film, with a corresponding reduction of refractive index. We demonstrate the ability to accurately control the refractive index via this technique and use it to grow a complex multi-core crystal waveguide. Our results highlight the potential of using pulsed laser deposition to fabricate crystal films with bespoke optical properties and thus engineer passive and active waveguide devices in situ.

Temperature↗
DOE OSTI2021

Two-dimensional overdamped fluctuations of the soft perovskite lattice in CsPbBr 3

Lead halide perovskites exhibit structural instabilities and large atomic fluctuations thought to impact their optical and thermal properties, yet detailed structural and temporal correlations of their atomic motions remain poorly understood. Here, these correlations are resolved in CsPbBr 3 crystals using momentum-resolved neutron and X-ray scattering measurements as a function of temperature, complemented with first-principles simulations. We uncover a striking network of diffuse scattering rods, arising from the liquid-like damping of low-energy Br-dominated phonons, reproduced in our simulations of the anharmonic phonon self-energy. Here, these overdamped modes cover a continuum of wave vectors along the edges of the cubic Brillouin zone, corresponding to two-dimensional sheets of correlated rotations in real space, and could represent precursors to proposed two-dimensional polarons. Further, these motions directly impact the electronic gap edge states, linking soft anharmonic lattice dynamics and optoelectronic properties. These results provide insights into the highly unusual atomic dynamics of halide perovskites, relevant to further optimization of their optical and thermal properties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Finding Your Niche: An Evolutionary Approach to HPC Topologies

Traditional interconnection network design approaches focus on building general network topologies by optimizing the bisection bandwidth or minimizing the network’s diameter to reduce the maximum distance between any two nodes, thus amortizing the overall execution time of the HPC workloads. While such network topologies may accommodate a wide variety of applications in general, this may result in sub-optimal performance for many frequently-executed or dynamic workloads. In this paper, instead of focusing on designing an all-encompassing, general-purpose network topology, we develop a methodology to design customized network interconnects, evolved by “finding” the optimal topologies for a particular target workload given by its communication and contention profiles. To this end, we implement a Genetic Algorithm (GA)-based approach for network topology design tailored to improve the overall execution time of a particular workload of interest. We conducted extensive experiments with well-known motifs in physics-based workloads (Sweep3D and FFT), as well as with a representative graph application (MiniVite), using the well-known Structural Simulation Toolkit (SST) Macroscale Element Library (SST/macro) simulator for network interconnect evaluation. We demonstrate that our genetic algorithm-based approach is robust enough to find the underlying optimal topology of a particular workload.

network interconnects, graph search, meta-heuristi↗
NASA NTRS1986

Performance tradeoffs in static and dynamic load balancing strategies

The problem of uniformly distributing the load of a parallel program over a multiprocessor system was considered. A program was analyzed whose structure permits the computation of the optimal static solution. Then four strategies for load balancing were described and their performance compared. The strategies are: (1) the optimal static assignment algorithm which is guaranteed to yield the best static solution, (2) the static binary dissection method which is very fast but sub-optimal, (3) the greedy algorithm, a static fully polynomial time approximation scheme, which estimates the optimal solution to arbitrary accuracy, and (4) the predictive dynamic load balancing heuristic which uses information on the precedence relationships within the program and outperforms any of the static methods. It is also shown that the overhead incurred by the dynamic heuristic is reduced considerably if it is started off with a static assignment provided by either of the other three strategies.

Iqbal, M. A.↗
NASA NTRS1986

A comparative analysis of static and dynamic load balancing strategies

The problem of uniformly distributing the load of a parallel program over a multiprocessor system was considered. A program was analyzed whose structure permits the computation of the optimal static solution. Then four strategies for load balancing were described and their performance compared. The strategies are: (1) the optimal static assignment algorithm which is guaranteed to yield the best static solution, (2) the static binary dissection method which is very fast but suboptimal, (3) the greedy algorithm, a static fully polynomial time approximation scheme, which estimates the optimal solution to arbitrary accuracy, and (4) the predictive dynamic load balancing heuristic which uses information on the precedence relationships within the program and outperforms any of the static methods. It is also shown that the overhead incurred by the dynamic heuristic is reduced considerably if it is started off with a static assignment provided by either of the three strategies.

Iqbal, M. Ashraf↗
DOE OSTI2022

Coolant Channel Design for Additively Manufactured Reactor Cores

Additive manufacturing (AM) methods are currently being explored for applications in nuclear reactors to make advanced reactors more efficient, safe, and reliable. The Transformational Challenge Reactor (TCR) program has explored AM for nuclear by designing a high-temperature gas reactor (HTGR) using an AM silicon carbide fuel form with uranium nitride–tristructural isotropic fuel. In this study, we detail the design process for the TCR fuel form’s coolant channels using computational fluid dynamics models with conjugate heat transfer. Additionally, this work discusses how these models were interfaced with other design teams, project milestones, and the agile design method used to mature the reactor design. The methodology deployed was able to create a channel design with lower maximum fuel temperatures and thermal stresses in the fuel form over traditional channel designs that can be manufactured subtractively. These results were achieved with only small manufacturing penalties. Results are discussed and presented on lessons learned for designing AM components for nuclear reactors. Finally, areas of opportunity are discussed for advanced design tools to further automate design activities and optimize reactors with fewer built-in assumptions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1993

Benefits of variable rotor speed in integrated helicopter/engine control

Current helicopter flight and propulsion controls are typically designed with the assumption that rotor speed will be held to a constant setpoint. A new flight and propulsion control system using a continuously variable rotor speed command is proposed to improve the maneuverability and agility of helicopter systems. In this new approach, the flight control system generates an optimal variable rotor speed command in addition to conventional control commands in a framework of integrated flight/propulsion control. The benefits (i.e. improved maneuverability and agility) of varying rotor speed during transient maneuvers are demonstrated using a bob-up maneuver as an example. In particular, two types of benefits are identified in different maneuver conditions. One comes from a thrust augmentation, while the other comes from an exchange of rotational and translational energy. In the example, a simple linear dynamic hover model is used with an optimal control design method to generate the optimal rotor speed command.

Iwata, Takanori↗
DOE OSTI2021

Non-Adiabatic Excited State Molecular Dynamics Methodologies: comparison and convergence

Direct atomistic simulation of nonadiabatic molecular dynamics is a challenging goal that allows important insights into fundamental physical phenomena. A variety of frameworks, ranging from fully quantum treatment of nuclei to semiclassical and mixed quantum–classical approaches, were developed. These algorithms are then coupled to specific electronic structure techniques. Such diversity and lack of standardized implementation make it difficult to compare the performance of different methodologies when treating realistic systems. Here, we compare three popular methods for large chromophores: Ehrenfest, surface hopping, and multiconfigurational Ehrenfest with ab initio multiple cloning (MCE-AIMC). These approaches are implemented in the NEXMD software, which features a common computational chemistry model. The resulting comparisons reveal the method performance for population relaxation and coherent vibronic dynamics. Finally, we study the numerical convergence of MCE-AIMC algorithms by considering the number of trajectories, cloning thresholds, and Gaussian wavepacket width. Our results provide helpful reference data for selecting an optimal methodology for simulating excited-state molecular dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Ultrafast branching in intersystem crossing dynamics revealed by coherent vibrational wavepacket motions in a bimetallic Pt($\mathrm{II}$) complex

Ultrafast excited-state processes of transition metal complexes (TMCs) are governed by complicated interplays between electronic and nuclear dynamics, which demand a detailed understanding to achieve optimal functionalities of photoactive TMC-based materials for many applications. Here, in this work, we investigated a cyclometalated platinum(II) dimer known to undergo a Pt-Pt bond contraction in metal-metal-to-ligand-charge-transfer (MMLCT) excited state using femtosecond broadband transient absorption (fs-BBTA) spectroscopy in combination with geometry optimization and normal mode calculations. Using sub-20 fs pump and broadband probe pulses in fs-BBTA spectroscopy, we are able to correlate coherent vibrational wavepacket (CVWP) evolution with stimulated emission (SE) dynamics of the 1 MMLCT state. The results demonstrated that the 145 cm -1 CVWP motions with the damping times of ~ 0.9 ps and ~ 2 ps originate from coherent Pt-Pt stretching vibrations in the singlet and triplet MMLCT states, respectively. On the basis of excited-state potential energy surface calculations in our previous work, we rationalized that the CVWP transfer from Franck-Condon (FC) state to the 3 MMLCT state was mediated by a triplet ligand-centered ( 3 LC) intermediate state through two step intersystem crossing (ISC) on a time scale shorter than a period of the Pt-Pt stretching wavepacket motions. Moreover, it was found that the CVWP motion with 110 cm-1 frequency decays with the damping time of ~ 0.2 ps, well matching the time constant of 0.253 ps corresponding to a redshift in the SE feature at early time. This observation indicates that the Pt-Pt bond contraction changes the stretching frequency from 110 to 145 cm -1 and stabilize the 1 MMLCT state relative to the 3 LC state with the ~ 0.2 ps time scale. Thus, the ultrafast ISC from the 1 MMLCT to the 3 LC states occurs before the Pt-Pt bond shortening. The findings herein provide insight into understanding the impact of Pt-Pt bond contraction on ultrafast branching of the 1 MMLCT population into the direct ( 1 MMLCT → 3 MMLCT) and indirect ISC pathways ( 1 MMLCT → 3 LC → 3 MMLCT) in the Pt(II) dimer. These results revealed intricate excited state electronic and nuclear motions that could steer the reaction pathways with levels of details that have not achieved before

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Optimization-Inspired Pin-Fin Array for Supercritical Carbon Dioxide Recuperator

Additively manufactured heat exchangers are one possible route to cost-effective sCO 2 power cycles. In this paper, experimental results are obtained for two helical pin fin tubes that were designed following parametric optimization of the fin array. Neither the numerical optimization nor the experimental testing have been previously reported in the literature. The two tube designs were, (1) the optimization inspired design, and (2) the optimization-inspired design with a fin diameter increased by a factor of 2. To characterize the print, the designs were scanned using X-ray computed tomography to measure feature sizes and heat transfer area. The optimization was conducted in a commercial, computational fluid dynamics code. The code solved the Reynolds Averaged Navier-Stokes (RANS) and energy equations with turbulence closure provided by the shear stress transport (SST) k-ω model. In the experiments, the Nusselt number augmentation was measured using the Wilson plot technique and the friction factor was determined with mass flow and pressure drop measurements. The experimental testing indicated that the optimization-inspired design had a friction factor that was four times less than the baseline tube design at equal Nusselt number. Additionally, the optimization-inspired design had a 14% improvement in Nusselt number, at equal friction factor, relative to the best performing computational fluid dynamics (CFD) trial points. Tube design (2), with the larger diameter pin fins, had similar performance, within experimental error, as the tube with the smaller diameter pin fins (1). Both tubes achieved overall fin array efficiencies near 1. A performance factor, V/V 0 , equal to the volume of the enhanced heat exchanger divided by the volume of the baseline (no-fins) heat exchanger, is recommended to quantify internal cooling performance. In conclusion, the experimental shell and tube heat exchanger, using the additively manufactured tube, is competitive with printed circuit heat exchangers in its pressure drop class and could be further improved by optimizing a shell-and-tube heat exchanger utilizing this heat transfer enhancement feature.

42 ENGINEERING↗
DOE OSTI2023

Development of a Reactive Force Field for Simulating Photoinitiated Acrylate Polymerization

Light-driven and photo-curable polymer based additive manufacturing (AM) has enormous potential due to its excellent resolution and precision. Acrylated radical chain-growth polymerized resins are widely used in photopolymer AM due to their fast kinetics, and often serve as a departure point for developing other resin materials for photopolymer-based AM technologies. For successful control of the photopolymer resins, the molecular basis of the acrylate free-radical polymerization has to be understood in detail. We present an optimized reactive force field (ReaxFF) for molecular dynamics (MD) simulations of acrylate polymer resins that captures radical polymerization thermodynamics and kinetics. The force field is trained against an extensive training set including density functional theory (DFT) calculations of reaction pathways along the radical polymerization from methyl acrylate to methyl butyrate, bond dissociation energies, and structures and partial charges of several molecules and radicals. We also found that it was critical to train the force field against an incorrect, nonphysical reaction pathway observed in simulations that used parameters not optimized for acrylate polymerization. As a result, the parameterization process utilizes a parallelized search algorithm, and the resulting model can describe polymer resin formation, crosslinking density, conversion rate, and residual monomers of the complex acrylate mixtures.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Optimal interaction of indenter with inhomogeneous plate

Consideration is given to a new class of problems dealing with an optimal design of an inhomogeneous plate during dynamic penetration of the rigid indenter. The quality criterion of the process is defined by the specific mass of the target, which absorbs the given kinetic mass of the indenter. Parameters of control are expressed in terms of mechanical characteristics, i.e., distribution of density and the related hardness across the plate thickness. The maximum principle of Pontryagin is used to search for the piecewise continuous control function. With consideration of impact conditions and characteristics for a given class of material, an optimal target structure criterion was estimated for engineering applications.

Aptukov, Valery N.↗
DOE OSTI2022

Design and analysis of a ten-turbine floating wind farm with shared mooring lines

This paper discusses the development and analysis of a novel design for a 10-turbine floating wind farm with shared mooring lines. Shared mooring lines tether adjacent floating platforms together, reducing the number of anchors required but increasing system complexity. We present a systematic, multistage design process for shared mooring systems, involving linearized analysis of array layout options, quasi-static mooring line optimization, and design refinement based on coupled dynamic loads analysis. The design developed from this process is thought to represent one of the most advantageous shared-mooring configurations for this scale of floating wind array. It features perpendicular anchor line pairs and allows shared, multiline anchors, making it an example of a shared-mooring-and-anchor array. Comparing the performance and cost characteristics of the shared-mooring design with more conventional three-line individual mooring systems shows equivalent dynamic response characteristics and stationkeeping system cost savings of 25% when using shared mooring lines and shared anchors. The design is also advantageous in the case of a mooring line failure, with offsets and redundancy characteristics similar to four-line individual mooring systems.

17 WIND ENERGY↗
NASA NTRS1994

DTS: Building custom, intelligent schedulers

DTS is a decision-theoretic scheduler, built on top of a flexible toolkit -- this paper focuses on how the toolkit might be reused in future NASA mission schedulers. The toolkit includes a user-customizable scheduling interface, and a 'Just-For-You' optimization engine. The customizable interface is built on two metaphors: objects and dynamic graphs. Objects help to structure problem specifications and related data, while dynamic graphs simplify the specification of graphical schedule editors (such as Gantt charts). The interface can be used with any 'back-end' scheduler, through dynamically-loaded code, interprocess communication, or a shared database. The 'Just-For-You' optimization engine includes user-specific utility functions, automatically compiled heuristic evaluations, and a postprocessing facility for enforcing scheduling policies. The optimization engine is based on BPS, the Bayesian Problem-Solver (1,2), which introduced a similar approach to solving single-agent and adversarial graph search problems.

Hansson, Othar↗
DOE OSTI2021

Design Optimization of A-Type Heat Exchangers based on High Performance, Non-Round Tubes

Air-to-refrigerant heat exchangers (HXs) have been the topic of considerable research as they are the fundamental heat transfer components of HVAC&R systems. For residential and commercial applications, indoor heat exchangers are often in A-type configurations to reduce air-conditioner system footprint while still delivering the required cooling or heating. Classical HX design practices typically assume a uniform frontal air velocity profile to facilitate the use of conventional tube-fin airside heat transfer and pressure drop correlations for performance prediction. However, it is well-reported throughout the literature that A-type HXs experience significant airflow maldistribution which can severely degrade HX performance. Additionally, recent advancements in simulation software such as Computational Fluid Dynamics (CFD), Finite Element Analysis (FEA) and optimization algorithms have led researchers to consider primary heat transfer surface optimization to achieve highly compact HXs which do not require fins. In this paper, an A-type HX which utilizes shape-optimized non-round tubes is optimized for minimum duct size and airside pressure drop. This is achieved through coupling of an experimentally validated finite volume HX model with automated 2D CFD simulations of airflow through the HX for airside thermal-hydraulic performance evaluation. Preliminary results show that the optimal designs deliver similar capacity while achieving 20% reductions in airside pressure drop and duct cross-section area. Additionally, the optimal design apex angles in this study were similar to those from previous A-Type HX optimization studies for conventional tube-fin HX geometries, suggesting that the apex angle for optimal A-Type configuration performance may be independent of tube geometry.

42 ENGINEERING↗