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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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194 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

Investigation of Direct Force Control for Planetary Aerocapture at Neptune

In this work, a direct force control numerical predictor-corrector guidance architecture is developed to enable Neptune aerocapture using flight-heritage blunt body aeroshells. A linear aerodynamics model is formulated for a Mars Science Laboratory-derived aeroshell. The application of calculus of variations shows that the optimal angle of attack and side-slip angle control laws are bang-bang. A closed-loop numerical predictor-corrector direct force control guidance algorithm is developed and numerically simulated using the Program to Optimize Simulated Trajectories II. The Monte Carlo simulated trajectories are demonstrated to be robust to the modeled dispersions in aerodynamics, atmospheric density, and entry state. An aerocapture technology trade study demonstrates that blunt body direct force control aerocapture enables similar performance as slender body bank angle control but halves the peak g-loading.

Deshmukh, Rohan G.↗
NASA NTRS1994

(abstract) Optimal Low Thrust Trajectories Using Differential Inclusion Concepts

Low thrust propulsion systems typically have their greatest benefit for high energy missions or missions with large post-launch maneuver requirements. Missions which have been examined include main belt asteroid rendezvous, comet rendezvous, outer planet and Mercury orbiters, Pluto flyby, and solar probe missions. Low thrust mission design software used to determine these trajectories is based on two distinct formulations of the optimal control problem: the indirect and direct methods. The traditional approach (indirect) is to use the calculus of variations to obtain first order necessary conditions on the states and costates. In contrast, direct methods are conceptually different in that no explicit integration takes place. A direct method based on differential inclusion concepts has been developed and successfully used to compute low thrust trajectories. This new approach removes explicit control dependence from the problem thereby reducing the dimension of the parameter space for the nonlinear programming problem. Also when compared to other direct methods, fewer nonlinear constraints are required to represent the dynamics of the problem.

low↗
DOE OSTI2025

A simple introduction to the SiMPL method for density-based topology optimization

We introduce a novel method for solving density-based topology optimization problems: Sigmoidal Mirror descent with a Projected Latent variable (SiMPL). The SiMPL method (pronounced as “the simple method”) optimizes a design using only first-order derivative information of the objective function. The bound constraints on the density field are enforced with the help of the (negative) Fermi–Dirac entropy, which is also used to define a non-symmetric distance function called a Bregman divergence on the set of admissible designs. This Bregman divergence leads to a simple update rule that is further simplified with the help of a so-called latent variable. Because the SiMPL method involves discretizing the latent variable, it produces a sequence of pointwise-feasible iterates, even when high-order finite elements are used in the discretization. Numerical experiments demonstrate that the method outperforms other popular first-order optimization algorithms. In conclusion, to outline the general applicability of the technique, we include examples with (self-load) compliance minimization and compliant mechanism optimization problems.

Calculus of Variations and Optimization↗
DOE OSTI2024

Degradation of performance in ICF implosions due to Rayleigh–Taylor instabilities: A Hamiltonian perspective

The Rayleigh–Taylor instability (RTI) is an ubiquitous phenomenon that occurs in inertial-confinement-fusion (ICF) implosions and is recognized as an important limiting factor of ICF performance. To analytically understand the RTI dynamics and its impact on ICF capsule implosions, we develop a first-principle variational theory that describes an imploding spherical shell undergoing RTI. The model is based on a thin-shell approximation and includes the dynamical coupling between the imploding spherical shell and an adiabatically compressed fluid within its interior. Using a quasilinear analysis, we study the degradation trends of key ICF performance metrics (e.g., stagnation pressure, residual kinetic energy, and areal density) as functions of initial RTI parameters (e.g., the initial amplitude and Legendre mode), as well as the 1D implosion characteristics (e.g., the convergence ratio). We compare analytical results from the theory against nonlinear results obtained by numerically integrating the governing equations of this reduced model. Our findings emphasize the need to incorporate polar flows in the calculation of residual kinetic energy and demonstrate that higher convergence ratios in ICF implosions lead to significantly greater degradation of key performance metrics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Tree tensor network hierarchical equations of motion based on time-dependent variational principle for efficient open quantum dynamics in structured thermal environments

In this work, we introduce an efficient method, TTN-HEOM, for exactly calculating the open quantum dynamics for driven quantum systems interacting with highly structured bosonic baths by combining the tree tensor network (TTN) decomposition scheme with the bexcitonic generalization of the numerically exact hierarchical equations of motion (HEOM). The method yields a series of quantum master equations for all core tensors in the TTN that efficiently and accurately capture the open quantum dynamics for non-Markovian environments to all orders in the system–bath interaction. These master equations are constructed based on the time-dependent Dirac–Frenkel variational principle, which isolates the optimal dynamics for the core tensors given the TTN ansatz. The dynamics converges to the HEOM when increasing the rank of the core tensors, a limit in which the TTN ansatz becomes exact. We introduce TENSO, tensor equations for non-Markovian structured open systems, as a general-purpose Python code to propagate the TTN-HEOM dynamics. We implement three general propagators for the coupled master equations: two fixed-rank methods that require a constant memory footprint during the dynamics and one adaptive-rank method with a variable memory footprint controlled by the target level of computational error. We exemplify the utility of these methods by simulating a two-level system coupled to a structured bath containing one Drude–Lorentz component and eight Brownian oscillators, which is beyond what can presently be computed using the standard HEOM. Our results show that the TTN-HEOM is capable of simulating both dephasing and relaxation dynamics of driven quantum systems interacting with structured baths, even those of chemical complexity, with an affordable computational cost.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Quantum Algorithm for Linear Non-unitary Dynamics with Near-Optimal Dependence on All Parameters

We introduce a family of identities that express general linear non-unitary evolution operators as a linear combination of unitary evolution operators, each solving a Hamiltonian simulation problem. This formulation can exponentially enhance the accuracy of the recently introduced linear combination of Hamiltonian simulation (LCHS) method [An, Liu, and Lin, Physical Review Letters, 2023]. For the first time, this approach enables quantum algorithms to solve linear differential equations with both optimal state preparation cost and near-optimal scaling in matrix queries on all parameters.

Applied Dynamical Systems↗
DOE OSTI2025

McCormick envelopes in mixed-integer PDE-constrained optimization

McCormick envelopes are a standard tool for deriving convex relaxations of optimization problems that involve polynomial terms. Such McCormick relaxations provide lower bounds, for example, in branch-and-bound procedures for mixed-integer nonlinear programs but have not gained much attention in PDE-constrained optimization so far. This lack of attention may be due to the distributed nature of such problems, which on the one hand leads to infinitely many linear constraints (generally state constraints that may be difficult to handle) in addition to the state equation for a pointwise formulation of the McCormick envelopes and renders bound-tightening procedures that successively improve the resulting convex relaxations computationally intractable. We analyze McCormick envelopes for a model problem class that is governed by a semilinear PDE involving a bilinearity and integrality constraints. We approximate the nonlinearity and in turn the McCormick envelopes by averaging the involved terms over the cells of a partition of the computational domain on which the PDE is defined. This yields convex relaxations that underestimate the original problem up to an a priori error estimate that depends on the mesh size of the discretization. These approximate McCormick relaxations can be improved by means of an optimization-based bound-tightening procedure. We show that their minimizers converge to minimizers to a limit problem with a pointwise formulation of the McCormick envelopes when driving the mesh size to zero. We provide a computational example, for which we certify all of our imposed assumptions. The results point to both the potential of the methodology and the gaps in the research that need to be closed. Our methodology provides a framework first for obtaining pointwise underestimators for nonconvexities and second for approximating them with finitely many linear inequalities in an infinite-dimensional setting.

Approximations and Expansions↗
DOE OSTI2025

A mixed-integer PDE-constrained optimization formulation for constructing electromagnetic cloaks with multiple materials

We study the design of an electromagnetic cloak from multiple materials with an additional constraint on the mass of the cloak. Our problem is an example of a topology optimization problem, and we formulate this problem as a mixed-integer partial-differential equation constrained optimization (MIPDECO) problem, where Maxwell’s equation models the propagation of the wave through the cloak and surrounding medium. We use binary variables to model the assignment of the different materials, and their relevant properties (permittivity and density). The mass constraint adds a nontrivial constraint to this problem. We propose a two-phase strategy to solve this problem. In the first phase, we solve a continuous relaxation, and then propose a new variant of the feasibility pump that exploits the structure of the PDE to obtain an initial integral solution candidate. In the second phase, we use a trust-region approach to improve this incumbent. We also consider a continuation or mesh-sequencing approach to find better solutions faster on consecutively finer meshes. We present detailed numerical results to illustrate the effectiveness of our approaches for constructing multi-material cloaks with a mass constraint.

Calculus of Variations and Optimization↗
DOE OSTI2024

Lagrangian formulation of nuclear–electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems

Here, we present a Lagrangian-based implementation of Ehrenfest dynamics with nuclear–electronic orbital (NEO) theory and real-time time-dependent density functional theory for extended periodic systems. In addition to a quantum dynamical treatment of electrons and selected protons, this approach allows for the classical movement of all other nuclei to be taken into account in simulations of condensed matter systems. Furthermore, we introduce a Lagrangian formulation for the traveling proton basis approach and propose new schemes to enhance its application for extended periodic systems. Validation and proof-of-principle applications are performed on electronically excited proton transfer in the o-hydroxybenzaldehyde molecule with explicit solvating water molecules. These simulations demonstrate the importance of solvation dynamics and a quantum treatment of transferring protons. This work broadens the applicability of the NEO Ehrenfest dynamics approach for studying complex heterogeneous systems in the condensed phase.

Calculus of variations↗
NASA NTRS1991

A comparison of two closely-related approaches to aerodynamic design optimization

Two related methods for aerodynamic design optimization are compared. The methods, called the implicit gradient approach and the variational (or optimal control) approach, both attempt to obtain gradients necessary for numerical optimization at a cost significantly less than that of the usual black-box approach that employs finite difference gradients. While the two methods are seemingly quite different, they are shown to differ (essentially) in that the order of discretizing the continuous problem, and of applying calculus, is interchanged. Under certain circumstances, the two methods turn out to be identical. We explore the relationship between these methods by applying them to a model problem for duct flow that has many features in common with transonic flow over an airfoil. We find that the gradients computed by the variational method can sometimes be sufficiently inaccurate to cause the optimization to fail.

Shubin, G. R.↗
NASA NTRS1993

DUKSUP - A high thrust trajectory optimization code

Designing missions on expendable launch vehicles (ELV's) includes determining launch vehicle performance capabilities and trajectory characteristics over the range of mission requirements for suitable launch periods. This analysis depends on mathematically modeling both the launch vehicle and the mission requirements. Generally the result is a mathematical model that is described by an objective function to be optimized subject to an assortment of algebraic and dynamic constraints. About 30 years ago, engineers at Lewis Research Center (LeRC) undertook the task of creating a software code to solve 3D versions of such problems and based it on the Calculus of Variations/Optimal Control Theory. One of these codes, DUKSUP, has been in use at LeRC for nearly 25 years, during which time it has played an important role in a large number of studies and actual missions. Currently it is being used by about 12 analysts in the Center's Advanced Space Analysis Office (ASAO) to do mission design, feasibility studies, corroboration of contractor data and planning studies for the Space Exploration Initiative (SEI). Today, it is one of the few ELV mission analysis production codes based on variational methods. With future ELV missions in mind, ASAO is presently creating a new code to upgrade DUKSUP's capabilities.

Balkanyi, Leslie R.↗
NASA NTRS2010

Modeling the Impact of Space Suit Components and Anthropometry on the Center of Mass of a Seated Crewmember

The Crew Impact Attenuation System (CIAS) is the energy-absorbing strut concept that dampens Orion Crew Exploration Vehicle (CEV) landing loads to levels sustainable by the crew. Significant COM variations across suited crew configurations would amplify the inertial effects of the pallet and potentially create unacceptable crew loading during launch and landing. The objective of this study was to obtain data needed for dynamic simulation models by quantifying the effects of posture, suit components, and the expected range of anthropometry on the COM of a seated individual. Several elements are required for the COM calculation of a suited human in a seated position: anthropometry, body segment mass, suit component mass, suit component location relative to the body, and joint angles defining the seated posture. Three-dimensional (3D) human body models, suit mass data, and vector calculus were utilized to compute the COM positions for 12 boundary manikins in two different seated postures. The analysis focused on two objectives: (1) quantify how much the wholebody COM varied from the smallest to largest subject and (2) quantify the effects of the suit components on the overall COM in each seat configuration. The location of the anterior-posterior COM varied across all boundary manikins by about 7 cm, and the vertical COM varied by approximately 9 to 10 cm. The mediolateral COM varied by 1.2 cm from the midline sagittal plane for both seat configurations. The suit components caused an anterior shift of the total COM by approximately 2 cm and a shift to the right along the mediolateral axis of 0.4 cm for both seat configurations. When the seat configuration was in the standard posture the suited vertical COM shifted inferiorly by as much as 1 cm, whereas in the CEV posture the vertical COM had no appreciable change. These general differences were due to the high proportion of suit mass located in the boots and lower legs and their corresponding distance from the body COM, as well as to the prevalence of suit components on the right side of the body.

Blackledge, Christopher↗
NASA NTRS1975

The geometric approach to sets of ordinary differential equations and Hamiltonian dynamics

The calculus of differential forms is used to discuss the local integration theory of a general set of autonomous first order ordinary differential equations. Geometrically, such a set is a vector field V in the space of dependent variables. Integration consists of seeking associated geometric structures invariant along V: scalar fields, forms, vectors, and integrals over subspaces. It is shown that to any field V can be associated a Hamiltonian structure of forms if, when dealing with an odd number of dependent variables, an arbitrary equation of constraint is also added. Families of integral invariants are an immediate consequence. Poisson brackets are isomorphic to Lie products of associated CT-generating vector fields. Hamilton's variational principle follows from the fact that the maximal regular integral manifolds of a closed set of forms must include the characteristics of the set.

Estabrook, F. B.↗
NASA NTRS1991

On the Power of Abstract Interpretation

Increasingly sophisticated applications of static analysis place increased burden on the reliability of the analysis techniques. Often, the failure of the analysis technique to detect some information my mean that the time or space complexity of the generated code would be altered. Thus, it is important to precisely characterize the power of static analysis techniques. We follow the approach of Selur et. al. who studied the power of strictness analysis techniques. Their result can be summarized by saying 'strictness analysis is perfect up to variations in constants.' In other words, strictness analysis is as good as it could be, short of actually distinguishing between concrete values. We use this approach to characterize a broad class of analysis techniques based on abstract interpretation including, but not limited to, strictness analysis. For the first-order case, we consider abstract interpretations where the abstract domain for data values is totally ordered. This condition is satisfied by Mycroft's strictness analysis that of Sekar et. al. and Wadler's analysis of list-strictness. For such abstract interpretations, we show that the analysis is complete in the sense that, short of actually distinguishing between concrete values with the same abstraction, it gives the best possible information. We further generalize these results to typed lambda calculus with pairs and higher-order functions. Note that products and function spaces over totally ordered domains are not totally ordered. In fact, the notion of completeness used in the first-order case fails if product domains or function spaces are added. We formulate a weaker notion of completeness based on observability of values. Two values (including pairs and functions) are considered indistinguishable if their observable components are indistinguishable. We show that abstract interpretation of typed lambda calculus programs is complete up to this notion of indistinguishability. We use denotationally-oriented arguments instead of the detailed operational arguments used by Selur et. al.. Hence, our proofs are much simpler. They should be useful for further future improvements.

Reddy, Uday S.↗