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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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NASA NTRS1996

Analysis of Thick Sandwich Shells with Embedded Ceramic Tiles

The Composite Armored Vehicle (CAV) is an advanced technology demonstrator of an all-composite ground combat vehicle. The CAV upper hull is made of a tough light-weight S2-glass/epoxy laminate with embedded ceramic tiles that serve as armor. The tiles are bonded to a rubber mat with a carefully selected, highly viscoelastic adhesive. The integration of armor and structure offers an efficient combination of ballistic protection and structural performance. The analysis of this anisotropic construction, with its inherent discontinuous and periodic nature, however, poses several challenges. The present paper describes a shell-based 'element-layering' technique that properly accounts for these effects and for the concentrated transverse shear flexibility in the rubber mat. One of the most important advantages of the element-layering technique over advanced higher-order elements is that it is based on conventional elements. This advantage allows the models to be portable to other structural analysis codes, a prerequisite in a program that involves the computational facilities of several manufacturers and government laboratories. The element-layering technique was implemented into an auto-layering program that automatically transforms a conventional shell model into a multi-layered model. The effects of tile layer homogenization, tile placement patterns, and tile gap size on the analysis results are described.

Davila, Carlos G.↗

DOE OSTI2025

Multidimensional Coherent Spectroscopy of van der Waals materials and heterostructures (Final Technical Report)

This project advanced multidimensional coherent spectroscopy (MDCS) and related spectroscopic-imaging methods as quantitative probes of many-body optical excitations in two-dimensional (2D) van der Waals (vdW) semiconductors and their heterostructures. Monolayer transition-metal dichalcogenides (TMDs) such as MoSe 2 and WSe 2 provide a uniquely strong platform for excitonic physics due to reduced dielectric screening, which enhances Coulomb interactions and makes higher-order correlated states (e.g., biexcitons and exciton–trion correlations) more prominent than in conventional bulk semiconductors. At the same time, the same sensitivity that enables strong interactions also increases susceptibility to spatial inhomogeneity—e.g., strain gradients, wrinkles, nanoscale disorder potentials, and charge puddling—which can broaden resonances, obscure interaction signatures, and complicate device-to-device reproducibility. The work reported here addressed this dual opportunity and challenge by: (i) developing and deploying coherent multidimensional methods (including double-quantum MDCS) capable of isolating interaction signals with reduced background, (ii) integrating electrostatic control to tune carrier populations and interaction strengths in situ, and (iii) introducing complementary spatially resolved photoluminescence (PL) techniques—hyperspectral PL imaging and polarization-/field-dependent PL lineshape analysis—to directly quantify disorder, strain, and localization that govern the coherent response.

36 MATERIALS SCIENCE↗

DOE OSTI2025

SDA: a symbolic differential algebra package in C++

Truncated Power Series Algebra (TPSA), or Differential Algebra (DA), is a well-established tool in accelerator physics, commonly used for generating high-order maps of dynamic systems, as well as in symplectic tracking, normal form analysis, verified integration, optimization, and fast multipole methods. This package is the first to perform symbolic DA computations, enabling traceability of initial condition contributions and runtime reduction for repeated DA calculations, potentially expanding DA’s applications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Galerkin formulation of path integrals in lattice field theory

We present a mathematical framework for Galerkin formulations of path integrals in lattice field theory. The framework is based on using the degrees of freedom (DOFs) associated to a Galerkin discretization as the fundamental lattice variables. We formulate standard concepts in lattice field theory, such as the partition function and correlation functions, in terms of the DOFs. For example, using continuous finite element spaces, we show that the two-point spatial correlation function can be defined between any two points on the domain (as opposed to at just lattice sites) and furthermore, this two-point function satisfies a weak propagator (or Green’s function) identity, in analogy to the continuum case, as well as a convergence estimate obtained from the standard finite element techniques. Furthermore, this framework leads naturally to higher-order formulations of lattice field theories by considering higher-order finite element spaces for the Galerkin discretization. We consider analytical and numerical examples of scalar field theory to investigate how increasing the order of piecewise polynomial finite element spaces affect the approximation of lattice observables. Finally, we sketch an outline of this Galerkin framework in the context of gauge field theories.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1997

A Higher-Order Bending Theory for Laminated Composite and Sandwich Beams

A higher-order bending theory is derived for laminated composite and sandwich beams. This is accomplished by assuming a special form for the axial and transverse displacement expansions. An independent expansion is also assumed for the transverse normal stress. Appropriate shear correction factors based on energy considerations are used to adjust the shear stiffness. A set of transverse normal correction factors is introduced, leading to significant improvements in the transverse normal strain and stress for laminated composite and sandwich beams. A closed-form solution to the cylindrical elasticity solutions for a wide range of beam aspect ratios and commonly used material systems. Accurate shear stresses for a wide range of laminates, including the challenging unsymmetric composite and sandwich laminates, are obtained using an original corrected integration scheme. For application of the theory to a wider range of problems, guidelines for finite element approximations are presented.

Cook, Geoffrey M.↗

NASA NTRS1989

Euler and Navier-Stokes solutions for hypersonic flows

An upwind finite-element technique that uses cell-centered quantities and implicit and/or explicit time marching has been developed for computing hypersonic laminar viscous flows using adaptive unstructured grids in two and three dimensions. A perfect gas model as well as an equilibrium air model is implemented for solving high-speed flows. A first-order basic scheme and a higher-order flux-corrected transport (FCT) scheme have been implemented. This technique has been used to predict 'Type III and IV' shock interactions on a cylinder in two dimensions and a swept cylinder in three dimensions, with a view to determine the pressure and heating rate augmentation caused by an impinging shock on the leading edge of a cowl lip of an engine inlet. The predictions of wall pressure and heating rates compare very well with experimental data. The flow features are very distinctly captured with a sequence of adaptively-generated grids. Three-dimensional corner flow, typically encountered in engine inlets due to compression of the flow by ramps in the walls, is also modeled. This procedure is the first step in developing an integrated fluid, thermal, structural analysis capability for hypersonic flight vehicles like the National Aero-Space Plane.

Thareja, Rajiv R.↗

NASA NTRS2003

Membrane-Based Functions in the Origin of Cellular Life

How simple membrane peptides performed such essential proto-cellular functions as transport of ions and organic matter across membranes separating the interior of the cell from the environment, capture and utilization of energy, and transduction of environmental signals, is a key question in protobiological evolution. On the basis of detailed, molecular-level computer simulations we investigate how these peptides insert into membranes, self-assemble into higher-order structures and acquire functions. We have studied the insertion of an a-helical peptide containing leucine (L) and serine (S) of the form (LSLLLSL)S into a model membrane. The transmembrane state is metastable, and approximately 15 kcal/mol is required to insert the peptide into the membrane. Investigations of dimers formed by (LSLLLSL)S and glycophorin A demonstrate how the favorable free energy of helix association can offset the unfavorable free energy of insertion, leading to self- assembly of peptide helices in the membrane. An example of a self-assembled structure is the tetrameric transmembrane pore of the influenza virus M2 protein, which is an efficient and selective voltage-gated proton channel. Our simulations explain the gating mechanism and provide guidelines how to reengineering the channel to act as a simple proton pump. In general, emergence of integral membrane proteins appears to be quite feasible and may be easier to envision than the emergence of water-soluble proteins.

Wilson, Michael A.↗

NASA NTRS1977

Use of finite element techniques in the determination of the acoustic properties of turbofan inlets

This paper describes the application of the finite-element method in combination with Galerkin's method in the determination of the acoustic properties of turbofan inlets containing high-subsonic-Mach-number flows. An approximate solution to the steady inviscid flow field is obtained using an integral method for calculating the potential flow field in the inlet with a correction to account for compressibility effects. The accuracy of the finite-element technique in predicting the acoustic properties of annular ducts has been checked by comparison with available analytical solutions for the problems of planeand spinning-wave propagation through a hard-walled annular duct with a constant mean flow. Results are presented comparing low-frequency plane-wave propagation through a hard-walled turbofan inlet containing a one-dimensional flow with the same inlet containing a fully two-dimensional axisymmetric mean flow. It is shown that when one-dimensional mean flow is assumed to exist in the duct, the plane wave propagates with relatively little distortion. However, propagation of a plane wave through the fully two-dimensional flow field in the inlet produces severe distortion due to the excitation of higher-order modes.

Sigman, R. K.↗

DOE OSTI2026

Radiative corrections to superallowed beta decays at $\mathcal{O}\left({\alpha}^2Z\right)$

We compute $\mathcal{O}\left({\alpha}^2Z\right)$ radiative corrections to superallowed β decays with a heavy-particle effective field theory that systematically describes the interactions of low-energy ultrasoft photons with nuclei. We calculate two-loop virtual and one-loop real-virtual amplitudes by reducing the Feynman integrals to a set of master integrals, which we solve analytically using a variety of techniques. These techniques can be applied to other phenomenologically interesting observables. The ultrasoft corrections can then be combined with contributions arising from the exchange of potential photons to obtain the complete $\mathcal{O}\left({\alpha}^2Z\right)$ correction to the decay rate, with resummation of large logarithms of the electron energy times the nuclear radius. We find that $\mathcal{O}\left({\alpha}^2Z\right)$ ultrasoft loops induce a relative correction to the decay rate that ranges from 0.7 ∙ 10 −3 in the decay of 10 C to 3.6 ∙ 10 −3 in the decay of 54 Co, and will thus impact the extraction of V ud at the permille level. We show that the inclusion of these corrections reduces the residual renormalization scale dependence of the decay rate to a negligible level, making missing ultrasoft perturbative corrections a subdominant source of theoretical uncertainty.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Tracking discontinuities in parameter space

We develop a geometric framework in Feynman-parameter space to determine constraints on the sequential discontinuities of Feynman integrals. Our method is based on tracking the deformation of the integration contour as external kinematics are analytically continued. This procedure imposes powerful constraints on the analytic structure of Feynman integrals, providing crucial inputs for their bootstrap. We demonstrate the usefulness of this framework by applying it to integrals in dimensional regularization, with higher propagator powers, and to examples with non-uniform transcendental weight. The method is illustrated with several one- and two-loop calculations.

Differential and Algebraic Geometry↗

DOE OSTI2025

Enhanced MPM framework with multipatch isogeometric analysis for geotechnical applications

Achieving stable stress solutions at large strains using the Material Point Method (MPM) is challenging due to the accumulation of errors associated with geometry discretization, cell-crossing noise, and volumetric locking. Several simplified attempts exist in the literature to mitigate these errors, including higher-order frameworks. However, the stability of the MPM solution in such frameworks has been limited to simple geometries and the single-phase formulation (i.e., neglecting pore fluid). Although never explored, multipatch isogeometric analysis offers desirable qualities to simulate complex geometries while mitigating errors in the MPM. The degree of required high-order spatial integration has also never been investigated to infer a minimum limit for the stability of the stress solution in MPM. This paper presents a general-purpose numerical framework for simulating stable stresses in porous media, capturing both near incompressibility and multiphase interactions. First, the numerical framework is presented considering Non-Uniform Rational B-splines (NURBS) to perform isogeometric analysis (IGA) in MPM. Additionally, a volumetric strain smoothing algorithm is used to alleviate errors associated with volumetric locking. Second, the manifestation of cell-crossing errors is assessed via a series of problems with orders ranging from linear to cubic interpolation functions. Third, the use of NURBS is investigated and verified for problems with circular geometries. Finally, multipatch analysis is deployed to simulate plane strain and 3D penetration in soils, considering nearly incompressible elastoplastic (total stress) analysis and fully-coupled hydro-mechanical (effective stress) analysis. The stability of the solution is also analyzed for different constitutive models. From the results, it can be concluded that the framework using cubic interpolation functions with strain smoothing is the most convenient, presenting stable stress solutions for a broad range of multiphase geotechnical applications.

58 GEOSCIENCES↗

DOE OSTI2025

A Block-Structured Adaptive Mesh Framework to Solve Radiation Transfer Equation in Irregular Embedded Geometries

Radiation transport arises in various scientific, industrial, and medical fields, and understanding its effect in applications is needed to make accurate predictions, safety assessments and performance optimizations. Solving the Radiation Transport Equation (RTE) is challenging due to its integro-differential nature, which involves both differential and integral terms. The differential term describes the change in radiation intensity due to absorption and emission, while the integral term accounts for scattering. The accurate modeling of radiation is further complicated in many applications due to the complex, irregular geometries. Various methods exist for solving the RTE, including the zonal, Monte Carlo, spherical harmonics, discrete ordinates, and finite volume methods. Traditional mesh-based approaches, which rely on structured or unstructured meshes, struggle with irregular geometries due to: a) the difficulty of conforming structured grids to irregular domains, b) challenges in enforcing boundary conditions correctly, and c) the additional computational cost of unstructured mesh methods. This work presents a second-order accurate method for solving the RTE in irregular geometries. The radiation intensity is discretized using the finite-volume method in both spatial and angular directions on regular Cartesian grid blocks. Leveraging the block-structured adaptive mesh refinement (AMR) framework provided by AMReX, our method refines the grid locally to reduce spatial discretization error, ensuring a converged numerical solution while minimizing computational costs elsewhere. A two-stage deferred correction approach is employed: First, a first-order discretization on grid blocks is solved using an algebraic multigrid method in HYPRE. Second, a correction term is applied explicitly to achieve second-order accuracy. The correction term is calculated by approximating the radiation flux on cell faces using a Total Variation Diminishing (TVD) scheme. This approach ensures quick convergence of the multigrid method while preserving higher-order accuracy of the numerical solution. Irregular geometries are resolved as embedded boundaries (EB), resulting in both cut cells and regular cells. In cut cells, we modify the fluxes using face fractions and incorporate additional contributions from EB boundary conditions. To ensure higher-order convergence near the EB interface, the correction term is modified by interpolating the radiation intensity to fictitious ghost points. The implementation takes advantage of modern supercomputers by leveraging AMReX’sMPI/X parallelization strategy where X can be MPI or a GPU accelerator including CUDA, HIP and DPC++. We validate our solver using classical test cases, both with and without EB, demonstrating accuracy and efficiency. Additionally, we analyze the impact of adaptive mesh refinement on solution accuracy and computational cost, highlighting the advantages of our approach for high-resolution radiation transport simulations.

computational fluid dynamics (CFD)↗

DOE OSTI2025

Toward Higher-order Accuracy in Self-gravitating Hydrodynamics

High-order algorithms have emerged in numerical astrophysics as a promising avenue to reduce truncation error (proportional to a power of the linear resolution Δ x ) with only a moderate increase to computational expense. Significant effort has been placed in the development of finite-volume algorithms for (magneto)hydrodynamics; however, state-of-the-art astrophysical simulations tightly couple a plenitude of physics, additionally including gravity, photon transport, cosmic-ray transport, chemistry, and/or diffusion, to name a few. Algorithms frequently operator-split this additional physics (often a first-order error in time) and/or adopt a model wherein their evaluation is limited to second-order accuracy in space. In this work, we present a fourth-order-accurate finite-volume scheme for self-gravitating hydrodynamics on a uniform Cartesian grid. The method supplies source terms for the gravitational acceleration ( ρ g ) and gravitational energy release ( ρ v · g ) associated with fourth-order-accurate solutions to the Poisson equation. Our scheme (1) guarantees the conservation of total linear momentum while (2) decreasing (in proportion to Δ x 4 ) the effects of spurious heating and/or cooling associated with truncation error in the gravity. We demonstrate expected convergence rates for the algorithm by measuring errors in test problems evolving self-gravity modified linear waves and 3D polytropic equilibria. We test robustness of the algorithm by integrating an induced “inside-out” adiabatic collapse. We also discuss a method to smoothly downgrade the solution to second-order spatial accuracy to avoid spurious overshoots near steep density and/or pressure gradients.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1990

A real-time approximate optimal guidance law for flight in a plane

A real-time guidance scheme is presented for the problem of maximizing the payload into orbit subject to the equations of motion of a rocket over a nonrotating spherical earth. The flight is constrained to a path in the equatorial plane while reaching an orbital altitude at orbital injection speeds. The dynamics of the problem can be separated into primary and perturbation effects by a small parameter, epsilon, which is the ratio of the atmospheric scale height to the radius of the earth. The Hamilton-Jacobi-Bellman or dynamic programming equation is expanded in an asymptotic series where the zeroth-order term (epsilon = 0) can be obtained in closed form. The neglected perturbation terms are included in the higher-order terms of the expansion, which are determined from the solution of first-order linear partial differential equations requiring only integrations which are quadratures. The quadratures can be performed rapidly with emerging computer capability, so that real-time approximate optimization can be used to construct the launch guidance law. The application of this technique to flight in three-dimensions is made apparent from the solution presented.

Feeley, Timothy S.↗

NASA NTRS1942

On the use of residue theory for treating the subsonic flow of a compressible fluid

A new mathematical technique, due to Milne-Thomson, is used to obtain an improved form of the method of Poggi for calculating the effect of compressibility on the subsonic flow past an obstacle. By means of this new method, the difficult surface integrals of the original Poggi method can be replaced by line integrals. These line integrals are then solved by the use of residue theory. In this way an equation is obtained giving the second-order effect of compressibility on the velocity of the fluid. The method is practicable for obtaining the higher-order effects of compressibility on the velocity field. As an illustration of the general result, the flow past an elliptic cylinder is discussed.

Kaplan, Carl↗

NASA NTRS1994

A comparison of Lorentz, planetary gravitational, and satellite gravitational resonances

We consider a charged dust grain whose orbital motion is dominated by a planet's point-source gravity, but perturbed by higher-order terms in the planet's gravity field as well as by the Lorentz force arising from an asymmetric planetary magnetic field. Perturbations to Keplerian orbits due to a nonspherical gravity field are expressed in the traditional way: in terms of a disturbing function which can be expanded in a series of spherical harmonics (W. M. Kaula, 1966). In order to calculate the electromagnetic perturbation, we first write the Lorentz force in terms of the orbital elements and then substitute it into Gauss' perturbation equations. We use our result to derive strengths of Lorentz resonances and elucidate their properties. In particular, we compare Lorentz resonances to two types of gravitational resonances: those arising from periodic tugs of a satellite and those due to the attraction of an arbitrarily shaped planet. We find that Lorentz resonances share numerous properties with their gravitational counterparts and show, using simple physical arguments, that several of these patterns are fundamental, applying not only to our expansions, but to all quantities expressed in terms of orbital elements. Some of these patterns have been previously called 'd'Alembert rules' for satellite resonances. Other similarities arise because, to first-order in the perturbing force, the three problems share an integral of the motion. Yet there are also differences; for example, first-order inclination resonances exist for perturbations arising from planetary gravity and from the Lorentz force, but not for those due to an orbiting satellite. Finally, we provide a heuristic treatment of a particle's orbital evolution under the influence of drag and resonant forces. Particles brought into mean-motion resonances experience either trapping or resonant 'jumps,' depending on the direction from which the resonance is approached. We show that this behavior does not depend on the details of the perturbing force but rather is fundamental to all mean-motion resonances.

Hamilton, Douglas P.↗

NASA NTRS1998

Cooperation Among Theorem Provers

This is a final report, which supports NASA's PECSEE (Persistent Cognizant Software Engineering Environment) effort and complements the Kestrel Institute project "Inference System Integration via Logic Morphism". The ultimate purpose of the project is to develop a superior logical inference mechanism by combining the diverse abilities of multiple cooperating theorem provers. In many years of research, a number of powerful theorem-proving systems have arisen with differing capabilities and strengths. Resolution theorem provers (such as Kestrel's KITP or SRI's, SNARK) deal with first-order logic with equality but not the principle of mathematical induction. The Boyer-Moore theorem prover excels at proof by induction but cannot deal with full first-order logic. Both are highly automated but cannot accept user guidance easily. The PVS system (from SRI) in only automatic within decidable theories, but it has well-designed interactive capabilities: furthermore, it includes higher-order logic, not just first-order logic. The NuPRL system from Cornell University and the STeP system from Stanford University have facilities for constructive logic and temporal logic, respectively - both are interactive. It is often suggested - for example, in the anonymous "QED Manifesto"-that we should pool the resources of all these theorem provers into a single system, so that the strengths of one can compensate for the weaknesses of others, and so that effort will not be duplicated. However, there is no straightforward way of doing this, because each system relies on its own language and logic for its success. Thus. SNARK uses ordinary first-order logic with equality, PVS uses higher-order logic. and NuPRL uses constructive logic. The purpose of this project, and the companion project at Kestrel, has been to use the category-theoretic notion of logic morphism to combine systems with different logics and languages. Kestrel's SPECWARE system has been the vehicle for the implementation.

Waldinger, Richard J.↗

NASA NTRS2003

Membrane peptides and their role in protobiological evolution

How simple membrane peptides performed such essential protocellular functions as transport of ions and organic matter across membranes separating the interior of the cell from the environment, capture and utilization of energy, and transduction of environmental signals, is a key question in protobiological evolution. On the basis of detailed, molecular-level computer simulations we explain how these peptides fold at water-membrane interfaces, insert into membranes, self-assemble into higher-order structures and acquire functions. We have investigated the interfacial behavior and folding of several peptides built of leucine and glutamine residues and have demonstrated that many of them tend to adopt ordered structures. Further, we have studied the insertion of an alpha-helical peptide containing leucine (L) and serine (S) of the form (LSLLLSL)3 into a model membrane. The transmembrane state is metastable, and approximately 15 kcal mol(-1) is required to insert the peptide into the membrane. Investigations of dimers formed by (LSLLLSL)3 and glycophorin A demonstrate how the favorable free energy of helix association can offset the unfavorable free energy of insertion, leading to self-assembly of peptide helices in the membrane. An example of a self-assembled structure is the tetrameric transmembrane pore of the influenza virus M2 protein, which is an efficient and selective voltage-gated proton channel. Our simulations explain the gating mechanism and provide guidelines how to re-engineer the channel to act as a simple proton pump. In general, emergence of integral membrane proteins appears to be quite feasible and may be easier to envision than the emergence of water-soluble proteins.

Models, Chemical↗