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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Effect of Radical Initiators on Polypropylene Thermal Deconstruction

A new route for polypropylene (PP) deconstruction through radical pathways based on thermodynamic and kinetic considerations has been investigated. Radical polypropylene (PP) deconstruction, activated through small quantities of initiators, can enable the deconstruction of waste POs into unsaturated products. We found that stirring was detrimental to the β-scission extent because it accelerates radical termination reactions through mixing. The best results were achieved by using a semibatch process that included mechanical mixing during the temperature ramp, static heating of the polymer/initiator mixture at the final temperature, and volatile product removal with N 2 . Dicumyl peroxide and alkylated dicumene initiators produced similar liquid and solid products after a 30 min thermal treatment. Terminal alkenes were formed in the liquid products of reactions at 375 and 400 °C, with about 5% of the protons in the liquid product ascribed to terminal alkenes. Yields of liquid products increased with temperature, reaching 60% w/w at 400 °C; at the same time, yields of solid products decreased with temperature to 16% w/w at 400 °C. Although radical initiators decrease PP molecular weight during the temperature ramp, at 400 °C, initiators only marginally increased the liquid product fraction compared to control experiments. Finally, the terminal double bonds in the liquid product mixture (C8–C36) provide multiple pathways for upgrading to surfactants, plasticizers, lube oils, and other valuable products.

liquids↗
DOE OSTI2026

Multiscale fatigue crack initiation in hierarchical additively manufactured alloys

Bioinspired hierarchical microstructures offer a route toward engineered fatigue resistance in additively manufactured alloys. However, it remains unclear how discrete structural constituents independently govern damage accumulation, particularly during the critical fatigue initiation regime where short cracks strongly interact with local microstructure. Here, we investigate multiscale fatigue initiation in a dual-phase, nanolamellar AlCoCrFeNi 2.1 high-entropy alloy. By comparing microscale specimens that isolate the nanolamellar structure against macroscale specimens containing the full melt-pool architecture, we identify size-dependent fatigue initiation mechanisms. We find that failure is dictated by nanolamellar interfaces at the microscale, whereas mesoscale melt pool boundaries serve to initiate fatigue at the macroscale. This mechanistic shift is accompanied by a transition from macroscale quasi-brittle failure to microscale plasticity-driven crack extension. Our results provide a physical framework for understanding how structural hierarchy governs the transition from discrete microstructural deformation to continuum fatigue fracture behavior, informing the design of damage-tolerant, additively manufactured alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Quasiclassical sampling and Wigner sampling of initial vibrational coordinates and momenta for polyatomic molecules in Monte Carlo molecular dynamics simulations

In a quasiclassical trajectory simulation, the vibrational modes are initialised with quantised vibrational energies, but vibrational phases are sampled by Monte Carlo. This requires an algorithm to assign coordinates and momenta to the various atoms. In this work, we present two methods for implementing this for nonrotating polyatomic molecules, namely, fixed-energy vibrational-state-selected initial conditions and thermal initial conditions. We also present a method for initiating classical trajectories with a ground-state Wigner distribution. These vibrational treatments are sufficient to initialise trajectories for unimolecular processes, and we also show how they can be applied to simulate bimolecular collision processes. The treatments of unimolecular and bimolecular collision processes are available in two Python codes called wigner_state_selected.py and bimolecular_collision.py, respectively, which will generate initial condition files that are recognisable by the SHARC and SHARC-MN computer programs for dynamics calculations. Both codes are available as standalone programs, as well as being included in SHARC-MN, and they will be included in future versions of SHARC. Here, the methods implemented in these codes are mostly also available in the ANT computer program, and those that are not available in ANT will be incorporated in future versions of ANT.

Wigner distribution↗
DOE OSTI2026

Structure-aware Initialization via Numerical Continuation and Informed Priors

Scientific machine learning (SciML) often operates in ill-conditioned, weakly identifiable regimes due to limited data or indirect observations. In such settings, optimization and inference are highly sensitive to the starting point, making initialization--often under-reported--a consequential degree of freedom. Random initialization is not a neutral default as it induces an implicit prior over candidate solutions and can systematically bias the result, producing large run-to-run variability. Here, we formalize this view by treating initialization as a hidden confounder in SciML and develop a unifying theory for structure-aware initialization via numerical continuation, constructing warm starts from related problem instances. Across representative tasks, including physics-informed neural networks, maximum likelihood estimation, and variational inference, warm starts have been shown to consistently reduce optimization effort and improve reliability.

Data integrity↗
DOE OSTI2025

Fundamental Study of Fatigue Crack Initiation at Grain and Twin Boundaries in Austentic Stainless Steel (Final Technical Report)

The overarching goal of this project was to understand the dislocation-based mechanisms driving fatigue crack initiation at grain and twin boundaries. The hypothesis of the work is that dislocation structures equivalent to persistent slip bands (PSBs) form in the boundaries, leading to local stress concentrations and fatigue crack initiation. The sub-goals associated with this work include: • Understanding the evolution of the dynamic stress state and dislocation density surrounding PSB/grain boundary interactions. This will require the development of new techniques that couple high resolution electron backscatter diffraction (HREBSD) with in situ scanning electron microscopy (SEM) deformation. • Uncover the mechanisms by which dislocations are accommodated in grain and twin boundaries during fatigue. The proposed approach here is to conduct in situ transmission electron microscopy (TEM) deformation experiments on fatigued samples. • Establish correlations between microstructure, deformation accommodation, and crack initiation across time and length scales. This work primarily focuses on understanding fatigue crack initiation in austenitic stainless steels, though promising work by an undergraduate researcher extended the work to high purity Al.

42 ENGINEERING↗
NASA NTRS1964

Effect of Initial Velocity on One-Dimensional, Ambipolar, Space-Charge Currents

Oppositely directed flows of positive and negative charges constitute an ambipolar current. A general case is analyzed in which the charges traverse the evacuated space between plane-parallel boundaries and all particles of a given charge species are monoenergetic. It is assumed that the charges may possess non-vanishing initial kinetic energy. This represents an extension of analyses by Langmuir and Muller-Lubeck for vanishing initial kinetic energy. Sample calculations of dimensionless current densities, electric and potential fields, and charge-density distributions are exhibited for cases where the electric field is assumed to vanish at one boundary but the species initial velocities may not. It is shown that resulting ion currents may be several times the Child's law limit if initial kinetic energies are of the order of the potential energy.

SPACE CHARGE↗
NASA NTRS1976

Advanced space system concepts and their orbital support needs (1980 - 2000). Volume 3: Detailed data. Part 1: Catalog of initiatives, functional options, and future environments and goals

The following areas were discussed in relation to a study of the commonality of space vehicle applications to future national needs: (1) index of initiatives (civilian observation, communication, support), brief illustrated description of each initiative, time periods (from 1980 to 2000+) for implementation of these initiatives; (2) data bank of functional system options, presented in the form of data sheets, one for each of the major functions, with the system option for near-term, midterm, and far-term space projects applicable to each subcategory of functions to be fulfilled; (3) table relating initiatives and desired goals (public service and humanistic, materialistic, scientific and intellectual); and (4) data on size, weight and cost estimations.

Bekey, I.↗
NASA NTRS1976

Fatigue-crack initiation and growth in notched 2024-T3 specimens monitored by a video tape system

Fatigue-crack initiation and early stages of growth in notched 2024-T3 aluminum alloy sheet specimens were monitored during constant-amplitude fatigue tests conducted for a range of stress ratios. A video tape system was developed to detect fatigue cracks 0.1 mm in length on the sheet surface and to monitor their growth. Fatigue cracks initiated either at the notch corner or on the notch surface. Most of the first fatigue cracks started as notch-corner cracks, and the crack-initiation period was defined as the number of cycles for which the crack was 0.1 mm in length on the sheet surface. For each of the stress ratios used, the results showed that at the low stress levels, the crack-initiation period constituted at least 90 percent of the fatigue lives. However, for the negative stress ratios at the high stress levels, cracks started as early as at about 40 percent of the fatigue lives.

Sova, J. A.↗
NASA NTRS1982

A preliminary study of crack initiation and growth at stress concentration sites

Crack initiation and propagation models for notches are examined. The Dowling crack initiation model and the E1 Haddad et al. crack propagation model were chosen for additional study. Existing data was used to make a preliminary evaluation of the crack propagation model. The results indicate that for the crack sizes in the test, the elastic parameter K gave good correlation for the crack growth rate data. Additional testing, directed specifically toward the problem of small cracks initiating and propagating from notches is necessary to make a full evaluation of these initiation and propagation models.

Dawicke, D. S.↗
NASA NTRS1982

Initial conditions and Korteweg-de Vries solitons

The effects of rectangular initial data on the evolution of solitons governed by the Korteweg-de Vries equation is studied. Both isolated and separated disturbances are considered, providing some general insight into how the nature of the initial condition influences the appearance of solitons in the asymptotic state. The analytic approach is based on the inverse scattering transform which relates the initial condition to Schroedinger's equation. The results are used to model the initial shallow-water disturbances, and the results can be summarized by stating that the number of evolved solitons depends on the strength of each rectangular disturbance, the relative amplitudes of the rectangular disturbances, and the relative proximity of the disturbances.

Weidman, P. D.↗
NASA NTRS1983

Heat transfer characteristics for jet array impingement with initial crossflow

Two-dimensional arrays of circular air jets impinging on a heat transfer surface parallel to the jet orifice plate are considered. The jet flow, after impingement, is constrained to exit in a single direction along the channel formed by the jet orifice plate and the heat transfer surface. In addition to the crossflow which originates from the jets following impingement, an initial crossflow is present which approaches the array through an upstream extension of the channel. The temperature of the initial crossflow air may differ from the jet air temperature. The configurations considered are intended to model the impingement cooled midchord region of gas turbine airfoils in cases where an initial crossflow is also present. Nusselt numbers and dimensionless adiabatic wall temperatures resolved to one streamwise jet hole spacing were experimentally determined for ratios of the initial crossflow rate to the total jet flow rate ranging from zero to unity. These are presented and discussed relative to the flow and geometric parameters.

Florschuetz, L. W.↗
NASA NTRS1984

Computational aspects of the nonlinear normal mode initialization of the GLAS 4th order GCM

Using the normal modes of the GLAS 4th Order Model, a Machenhauer nonlinear normal mode initialization (NLNMI) was carried out for the external vertical mode using the GLAS 4th Order shallow water equations model for an equivalent depth corresponding to that associated with the external vertical mode. A simple procedure was devised which was directed at identifying computational modes by following the rate of increase of BAL sub M, the partial (with respect to the zonal wavenumber m) sum of squares of the time change of the normal mode coefficients (for fixed vertical mode index) varying over the latitude index L of symmetric or antisymmetric gravity waves. A working algorithm is presented which speeds up the convergence of the iterative Machenhauer NLNMI. A 24 h integration using the NLNMI state was carried out using both Matsuno and leap-frog time-integration schemes; these runs were then compared to a 24 h integration starting from a non-initialized state. The maximal impact of the nonlinear normal mode initialization was found to occur 6-10 hours after the initial time.

Navon, I. M.↗
NASA NTRS1983

Stratospheric wind errors, initial states and forecast skill in the GLAS general circulation model

Relations between stratospheric wind errors, initial states and 500 mb skill are investigated using the GLAS general circulation model initialized with FGGE data. Erroneous stratospheric winds are seen in all current general circulation models, appearing also as weak shear above the subtropical jet and as cold polar stratospheres. In this study it is shown that the more anticyclonic large-scale flows are correlated with large forecast stratospheric winds. In addition, it is found that for North America the resulting errors are correlated with initial state jet stream accelerations while for East Asia the forecast winds are correlated with initial state jet strength. Using 500 mb skill scores over Europe at day 5 to measure forecast performance, it is found that both poor forecast skill and excessive stratospheric winds are correlated with more anticyclonic large-scale flows over North America. It is hypothesized that the resulting erroneous kinetic energy contributes to the poor forecast skill, and that the problem is caused by a failure in the modeling of the stratospheric energy cycle in current general circulation models independent of vertical resolution.

Tenenbaum, J.↗
NASA NTRS1985

A Comparison of the Bounded Derivative and the Normal Mode Initialization Methods Using Real Data

Browning et al. (1980) proposed an initialization method called the bounded derivative method (BDI). They used analytical data to test the new method. Kasahara (1982) theoretically demonstrated the equivalence between BDI and the well known nonlinear normal mode initialization method (NMI). The purposes of this study are the extension of the application of BDI to real data and comparison with NMI. The unbalanced initial state (UBD) is data of January, 1979 OOZ which were interpolated from the adjacent sigma levels of the GLAS GCM to the 300 mb surface. The global barotropic model described by Takacs and Balgovind (1983) is used. Orographic forcing is explicitly included in the model. Many comparisons are performed between various quantities. However, we only present a comparison of the time evolution at two grid points A(50 S, 90 E) and B(10 S, 20 E) which represent low and middle latitude locations. To facilitate a more complete comparison an initialization experiment based on the classical balance equation (CBE) was also included.

Semazzi, F. H. M.↗
NASA NTRS1987

Protostellar formation in rotating interstellar clouds. VI - Nonuniform initial conditions

The collapse and fragmentation of rotating protostellar clouds is explored, starting from nonuniform density and nonuniform rotation initial conditions. Whether binary fragmentation occurs during the first dynamic collapse phase depends strongly on the initial density profile. Exponential clouds are only somewhat more resistant to fragmentation than uniform-density clouds, but power-law clouds do not undergo fragmentation for likely values of a relevant parameter. Because binary fragments start from profiles intermediate between uniform density and exponential clouds, minimum protostellar mass for population I stars should be increased to approximately 0.02 solar mass. The axisymmetric Terey et al. (1984) model should be stable with respect to nonaxisymmetric perturbations. Considering the observed binary frequency, collapse from power-law initial conditions appears to be less common than collapse from more uniform initial conditions.

Boss, Alan P.↗
NASA NTRS1988

Initial condition effect on pressure waves in an axisymmetric jet

A pair of microphones (separated axially by 5.08 cm and laterally by 1.3 cm) are placed on either side of the jet centerline to investigate coherent pressure fluctuations in an axisymmetric jet at Strouhal numbers less than unity. Auto-spectra, transfer-function, and coherence measurements are made for a tripped and untripped boundary layer initial condition. It was found that coherent acoustic pressure waves originating in the upstream plenum chamber propagate a greater distance downstream for the tripped initial condition than for the untripped initial condition. In addition, for the untripped initial condition the development of the coherent hydrodynamic pressure waves shifts downstream.

Miles, Jeffrey H.↗
NASA NTRS1988

Initial conditional effect on pressure waves in an axisymmetric jet

A pair of microphones (separated axially by 5.08 cm and laterally by 1.3 cm) are placed on either side of the jet centerline to investigate coherent pressure fluctuations in an axisymmetric jet at Strouhal numbers less than unity. Auto-spectra, transfer-function, and coherence measurements are made for a tripped and untripped boundary layer initial condition. It was found that coherent acoustic pressure waves originating in the upstream plenum chamber propagate a greater distance downstream for the tripped initial condition than for the untripped initial condition. In addition, for the untripped initial condition the developmet of the coherent hydrodynamic pressure waves shifts downstream.

Miles, Jeffrey H.↗
NASA NTRS1988

A manned lunar outpost. Design considerations for three key elements in an initial manned lunar outpost

The Initial Manned Lunar Outpost (IMLO) is proposed as the initial permanent base for manned activities on the Moon. The study concentrated on identifying the equipment, support systems, and initial base configuration necessary to accomplish the various science, industrial and exploration activities planned. The primary concepts of the MLO were the use of hard modules for habitation areas creating a flexible, modular transportation system; designing a multi-functional vehicle; and using an overhead radiation protection system. The transportation system, dubbed the Lunar Mobile Surface Transport System (LMSTS), carries the hard modules to the surface of the moon and provides a method to move them to the desired location through the use of interchangeable pallets. The avionics pallets are changed-out with wheel and hitch pallets, transforming the LMSTS into a "tractor trailer" used with the Multi-Functional Vehicle (MFV). The modules are placed under the Regolith Support Structure (RSS) which provides a stable environment and radiation protection for the entire base. The overhead structure was chosen over simply burying the modules to provide a study on the advantages and disadvantages of this type of system. The advantages include easy access to the exterior of the modules, providing a protected area for vehicles and equipment used in EVA, and creating an area of constant temperature. Disadvantages include a need for prefabrication of structural components, including the preconstruction and construction phases of the initial MLO. The design approach taken considered existing and near-term materials and technology only, without the consideration of possible future building technologies.

Bell, Larry↗