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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

An Optimized Parameterization of Sub‐Grid Scale Advection for Convection Permitting Models

Convection‐permitting models (CPMs) explicitly resolve deep convection yet under‐resolve the organized lateral exchanges among drafts and their environment that control entrainment/detrainment, precipitation efficiency, and mesoscale structure. In this work, we introduce the Optimized Advection Scheme (OAS), which introduces a small rotation of the Cartesian frame of reference for the horizontal winds relative to other variables used in advection that induces cross‐gradient transport to mimic under‐resolved convective mixing. The rotation angle is selected to minimize the Kullback–Leibler divergence between the simulated and satellite observed precipitation intensity distributions, yielding a physically consistent perturbation that is computationally inexpensive and portable. Optimized Advection Scheme is implemented in WRF and evaluated over Amazon (April 2014). It shifts precipitation–precipitable‐water joint distributions toward lighter rain, reduces overly intense rates, and improves mesoscale convective system (MCS) lifetime and propagation. Mechanistically, the added cross‐gradient transport promotes convective detrainment and environmental mixing, which cools and moistens the mid‐troposphere, weakens downward momentum transport, alleviates excessive downwelling shortwave biases, and warms the surface temperature. The optimized rotation angle yields comparable improvements at 4‐km and 1‐km grid spacing, demonstrating resolution‐independent benefits across the CPM gray zone. By targeting the dynamical root of under‐mixed convective circulations, rather than tuning model microphysics or closures, OAS delivers robust, scale‐aware improvements in precipitation statistics, cloud vertical structure, and characteristics of MCS (MCSs), offering a practical pathway to more reliable CPM simulations for weather and climate applications.

CPM↗
DOE OSTI2019

Optimal arrangements of 1,3-diphenylisobenzofuran molecule pairs for fast singlet fission

A simplified version of the frontier orbital model has been applied to pairs of C 2 , C 2v , C s , and C 1 symmetry 1,3-diphenylisobenzofuran rotamers to determine their best packing for fast singlet fission (SF). For each rotamer the square of the electronic matrix element for SF was calculated at 2.2 × 10 9 pair geometries and a few thousand most significant physically accessible local maxima were identified in the six-dimensional space of mutual arrangements. At these pair geometries, SF energy balance was evaluated, relative SF rate constants were approximated using Marcus theory, and the SF rate constant k SF was maximized by further optimization of the geometry of the molecular pair. The process resulted in 142, 67, 214, and 291 unique geometries for the C 2 , C 2v , C s , and C 1 symmetry molecular pairs, respectively, predicted to be superior to the C 2 symmetrized known crystal pair structure. Furthermore, these optimized pair geometries and their triplet biexciton binding energies are reported as targets for crystal engineering and/or covalent dimer synthesis, and as possible starting points for high-level pair geometry optimizations.

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

Optimal Zeno Dragging for Quantum Control: A Shortcut to Zeno with Action-Based Scheduling Optimization

The quantum Zeno effect asserts that quantum measurements inhibit simultaneous unitary dynamics when the “collapse” events are sufficiently strong and frequent. This applies in the limit of strong continuous measurement or dissipation. It is possible to implement a dissipative control that is known as “Zeno dragging” by dynamically varying the monitored observable, and hence also the eigenstates, which are attractors under Zeno dynamics. This is similar to adiabatic processes, in that the Zeno-dragging fidelity is highest when the rate of eigenstate change is slow compared to the measurement rate. We demonstrate here two theoretical methods for using such dynamics to achieve control of quantum systems. The first, which we shall refer to as “shortcut to Zeno,” is analogous to the shortcuts to adiabaticity (counterdiabatic driving) that are frequently used to accelerate unitary adiabatic evolution. In the second approach, we apply the Chantasri-Dressel-Jordan stochastic action [PRA 88, 042110 (2013)], and demonstrate that the extremal-probability readout paths derived from this are well suited to setting up a Pontryagin-style optimization of the Zeno-dragging schedule. A fundamental contribution of the latter approach is to show that an action suitable for measurement-driven control optimization can be derived quite generally from statistical arguments. Implementing these methods on the Zeno dragging of a qubit, we find that both approaches yield the same solution, namely, that the optimal control is a unitary that matches the motion of the Zeno-monitored eigenstate. We then show that such a solution can be more robust than a unitary-only operation and we comment on solvable generalizations of our qubit example embedded in larger systems. These methods open up new pathways toward systematically developing dynamic control of Zeno subspaces to realize dissipatively stabilized quantum operations. Published by the American Physical Society 2024

Physics↗
DOE OSTI2019

Distributed Direction-Optimizing Label Propagation for Community Detection

Designing a scalable algorithm for community detec-tion is challenging due to the tradeoff between the performance and the quality of the result. We propose a new distributed algorithm for community detection —Direction-Optimizing Label Propagation Algorithm, based on a novel Label Propagation Algorithm in community detection. The algorithm is inspired by the direction optimization technique for graph traversal algorithms and relies on the use of frontiers and alternates between label push and label pull operations. This organization creates ?exibility and affords opportunities for balancing the performance and the quality of the solution. We implement our algorithm in distributed memory with an active-message based asynchronous many-task runtime, AM++. We experiment with two seeding strategies for initial seeding stage, namely, random seeding and degree seeding. With the Graph Challenge datasets, our distributed implementation, in conjunction with the runtime support, achieves very good performance and reasonable quality of solution.

Liu, Xu↗
DOE OSTI2020

Hyperparameter Optimization in Binary Communication Networks for Neuromorphic Deployment

Training neural networks for neuromorphic deployment is non-trivial. There have been a variety of approaches proposed to adapt back-propagation or back-propagation-like algorithms appropriate for training. Considering that these networks often have very different performance characteristics than traditional neural networks, it is often unclear how to set either the network topology or the hyperparameters to achieve optimal performance. In this work, we introduce a Bayesian approach for optimizing the hyperparameters of an algorithm for training binary communication networks that can be deployed to neuromorphic hardware. We show that by optimizing the hyperparameters on this algorithm for each dataset, we can achieve improvements in accuracy over the previous state-of-the-art for this algorithm on each dataset (by up to 15 percent). This jump in performance continues to emphasize the potential when converting traditional neural networks to binary communication applicable to neuromorphic hardware.

Parsa, Maryam↗
DOE OSTI2021

Isopod (inverse Optimization And Design): Moose-based Application For Performing Inverse Optimization On Multiphysics Modeling And Simulation

ISOPOD (InverSe OPtimizatiOn and Design) will be a MOOSE (Multiphysics Object Oriented Simulation Environment)-based framework which will iteratively estimate the parameters by minimizing the difference between simulated and experimental observables. While inverse optimization has long been used for parameter estimation, the unique feature of ISOPOD is rapid solution of new inverse problems, leading to accelerated Research, Development and Demonstration (RD&D) for complex parameter estimation problems. This will be achieved by extending the software structure of MOOSE to inverse optimization, as well as building on the unique automatic differentiation feature of MOOSE.

Munday, LynnB↗
DOE OSTI2024

Optimal Membrane Cascade Design for Critical Mineral Recovery Through Logic-based Superstructure Optimization

Critical minerals and rare earth elements play an important role in our climate change initiatives, particularly in applications related with energy storage. Here, we use discrete optimization approaches to design a process for the recovery of Lithium and Cobalt from battery recycling, through membrane separation. Our contribution involves proposing a Generalized Disjunctive Programming (GDP) model for the optimal design of a multistage diafiltration cascade for Li-Co separation. By solving the resulting nonconvex mixed-integer nonlinear program model to global optimality, we investigated scalability and solution quality variations with changes in the number of stages and elements per stage. Results demonstrate the computational tractability of the nonlinear GDP formulation for design of membrane separation processes while opening the door for decom-position strategies for multicomponent separation cascades. Future work aims to extend the GDP formulation to account for stage installation and explore various decomposition techniques to enhance solution efficiency.

Ovalle, Daniel↗
NASA NTRS1973

Computer simulation for time optimal or energy optimal attitude control of spin-stabilized spacecraft.

An original technique for determining the optimal magnetic torque strategy for control of the attitude of spin stabilized spacecraft is presented. By employing Lagrange multipliers and the Calculus of Variations, optimal control equations are derived which define minimum time and minimum energy attitude maneuvers. Computer program algorithms to numerically solve these optimal control equations are also described. The performance of this technique is compared with a commonly employed planning method.

Woolley, R. D.↗
NASA NTRS1977

Optimal singular control with applications to trajectory optimization

A comprehensive discussion of the problem of singular control is presented. Singular control enters an optimal trajectory when the so called switching function vanishes identically over a finite time interval. Using the concept of domain of maneuverability, the problem of optical switching is analyzed. Criteria for the optimal direction of switching are presented. The switching, or junction, between nonsingular and singular subarcs is examined in detail. Several theorems concerning the necessary, and also sufficient conditions for smooth junction are presented. The concepts of quasi-linear control and linearized control are introduced. They are designed for the purpose of obtaining approximate solution for the difficult Euler-Lagrange type of optimal control in the case where the control is nonlinear.

Vinh, N. X.↗
NASA NTRS1981

Optimality criteria solution strategies in multiple constraint design optimization

Procedures and solution strategies are described to solve the conventional structural optimization problem using the Lagrange multiplier technique. The multipliers, obtained through solution of an auxiliary nonlinear optimization problem, lead to optimality criteria to determine the design variables. It is shown that this procedure is essentially equivalent to an alternative formulation using a dual method Lagrangian function objective. Although mathematical formulations are straight-forward, successful applications and computational efficiency depend upon execution procedure strategies. Strategies examined, with application examples, include selection of active constraints, move limits, line search procedures, and side constraint boundaries.

Levy, R.↗
NASA NTRS1989

Fuzzy set applications in engineering optimization: Multilevel fuzzy optimization

A formulation for multilevel optimization with fuzzy objective functions is presented. With few exceptions, formulations for fuzzy optimization have dealt with a one-level problem in which the objective is the membership function of a fuzzy set formed by the fuzzy intersection of other sets. In the problem examined here, the goal set G is defined in a more general way, using an aggregation operator H that allows arbitrary combinations of set operations (union, intersection, addition) on the individual sets Gi. This is a straightforward extension of the standard form, but one that makes possible the modeling of interesting evaluation strategies. A second, more important departure from the standard form will be the construction of a multilevel problem analogous to the design decomposition problem in optimization. This arrangement facilitates the simulation of a system design process in which different components of the system are designed by different teams, and different levels of design detail become relevant at different time stages in the process: global design features early, local features later in the process.

Diaz, Alejandro R.↗
NASA NTRS1991

Supercomputer optimizations for stochastic optimal control applications

Supercomputer optimizations for a computational method of solving stochastic, multibody, dynamic programming problems are presented. The computational method is valid for a general class of optimal control problems that are nonlinear, multibody dynamical systems, perturbed by general Markov noise in continuous time, i.e., nonsmooth Gaussian as well as jump Poisson random white noise. Optimization techniques for vector multiprocessors or vectorizing supercomputers include advanced data structures, loop restructuring, loop collapsing, blocking, and compiler directives. These advanced computing techniques and superconducting hardware help alleviate Bellman's curse of dimensionality in dynamic programming computations, by permitting the solution of large multibody problems. Possible applications include lumped flight dynamics models for uncertain environments, such as large scale and background random aerospace fluctuations.

Chung, Siu-Leung↗
NASA NTRS1991

Polynomial optimization techniques for activity scheduling. Optimization based prototype scheduler

Polynomial optimization techniques for activity scheduling (optimization based prototype scheduler) are presented in the form of the viewgraphs. The following subject areas are covered: agenda; need and viability of polynomial time techniques for SNC (Space Network Control); an intrinsic characteristic of SN scheduling problem; expected characteristics of the schedule; optimization based scheduling approach; single resource algorithms; decomposition of multiple resource problems; prototype capabilities, characteristics, and test results; computational characteristics; some features of prototyped algorithms; and some related GSFC references.

Reddy, Surender↗
NASA NTRS1992

Structural optimization of large structural systems by optimality criteria methods

The fundamental concepts of the optimality criteria method of structural optimization are presented. The effect of the separability properties of the objective and constraint functions on the optimality criteria expressions is emphasized. The single constraint case is treated first, followed by the multiple constraint case with a more complex evaluation of the Lagrange multipliers. Examples illustrate the efficiency of the method.

Berke, Laszlo↗
NASA NTRS1991

H2-optimal control with generalized state-space models for use in control-structure optimization

Several advances are provided solving combined control-structure optimization problems. The author has extended solutions from H2 optimal control theory to the use of generalized state space models. The generalized state space models preserve the sparsity inherent in finite element models and hence provide some promise for handling very large problems. Also, expressions for the gradient of the optimal control cost are derived which use the generalized state space models.

Wette, Matt↗
NASA NTRS1995

Multiple burn fuel-optimal orbit transfers: Numerical trajectory computation and neighboring optimal feedback guidance

This report describes current work in the numerical computation of multiple burn, fuel-optimal orbit transfers and presents an analysis of the second variation for extremal multiple burn orbital transfers as well as a discussion of a guidance scheme which may be implemented for such transfers. The discussion of numerical computation focuses on the use of multivariate interpolation to aid the computation in the numerical optimization. The second variation analysis includes the development of the conditions for the examination of both fixed and free final time transfers. Evaluations for fixed final time are presented for extremal one, two, and three burn solutions of the first variation. The free final time problem is considered for an extremal two burn solution. In addition, corresponding changes of the second variation formulation over thrust arcs and coast arcs are included. The guidance scheme discussed is an implicit scheme which implements a neighboring optimal feedback guidance strategy to calculate both thrust direction and thrust on-off times.

Chuang, C.-H.↗