Search NASA⌕ Search

SEARCH · Search NASA

Results for “INCLUSIVE INTERACTIONS”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Linear shaped-charge jet optimization using machine learning methods

Linear shaped charges are used to focus energy into rapidly creating a deep linear incision. The general design of a shaped charge involves detonating a confined mass of high explosive (HE) with a metal-lined concave cavity on one side to produce a high velocity jet for the purpose of striking and penetrating a given material target. This jetting effect occurs due to the interaction of the detonation wave with the cavity geometry, which produces an unstable fluid phenomenon known as the Richtmyer–Meshkov instability and results in the rapid growth of a long narrow jet. We apply machine learning and optimization methods to hydrodynamics simulations of linear shaped charges to improve the simulated jet characteristics. The designs that we propose and investigate in this work generally involve modifying the behavior of the detonation waves prior to interaction with the liner material. These designs include the placement of multiple detonators and the use of metal inclusions within the HE. In conclusion, we are able to produce a linear shaped-charge design with a higher penetration depth than the baseline case that we consider and accomplish this using the same amount of or less HE.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Proof-of-concept studies with a computationally designed M pro inhibitor as a synergistic combination regimen alternative to Paxlovid

As the SARS-CoV-2 virus continues to spread and mutate, it remains important to focus not only on preventing spread through vaccination but also on treating infection with direct-acting antivirals (DAA). The approval of Paxlovid, a SARS-CoV-2 main protease (M pro ) DAA, has been significant for treatment of patients. A limitation of this DAA, however, is that the antiviral component, nirmatrelvir, is rapidly metabolized and requires inclusion of a CYP450 3A4 metabolic inhibitor, ritonavir, to boost levels of the active drug. Serious drug–drug interactions can occur with Paxlovid for patients who are also taking other medications metabolized by CYP4503A4, particularly transplant or otherwise immunocompromised patients who are most at risk for SARS-CoV-2 infection and the development of severe symptoms. Developing an alternative antiviral with improved pharmacological properties is critical for treatment of these patients. By using a computational and structure-guided approach, we were able to optimize a 100 to 250 μM screening hit to a potent nanomolar inhibitor and lead compound, Mpro61. In this study, we further evaluate Mpro61 as a lead compound, starting with examination of its mode of binding to SARS-CoV-2 M pro . In vitro pharmacological profiling established a lack of off-target effects, particularly CYP450 3A4 inhibition, as well as potential for synergy with the currently approved alternate antiviral, molnupiravir. Development and subsequent testing of a capsule formulation for oral dosing of Mpro61 in B6-K18-hACE2 mice demonstrated favorable pharmacological properties, efficacy, and synergy with molnupiravir, and complete recovery from subsequent challenge by SARS-CoV-2, establishing Mpro61 as a promising potential preclinical candidate.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Towards Multifluid Multiphysics Continuum Plasma Simulation for Modeling Magnetically-driven Experiments on Z

Magnetically driven experiments supporting pulsed-power utilize a wide range of configurations, including wire-arrays, gas-puffs, flyer plates, and cylindrical liners. This experimental flexibility is critical to supporting radiation effects, dynamic materials, magneto-inertial-fusion (MIF), and basic high energy density laboratory physics (HEDP) efforts. Ultimately, the rate at which these efforts progress is limited by our understanding of the complex plasma physics of these systems. Our effort has been to begin to develop an advanced algorithmic structure and a R&D code implementation for a plasma physics simulation capability based on the five-moment multi-fluid / full-Maxwell plasma model. This model can be used for inclusion of multiple fluid species (e.g., electrons, multiple charge state ions, and neutrals) and allows for generalized collisional interactions between species, models for ionization/recombination, magnetized Braginskii collisional transport, dissipative effects, and can be readily extended to incorporate radiation transport physics. In the context of pulsed-power simulations this advanced model will help to allow SNL to computationally simulate the dense continuum regions of the physical load (e.g. liner implosions, flyer plates) as well as partial power-flow losses in the final gap region of the inner MITL. In this report we briefly summarize results of applying a preliminary version of this model in the context of verification type problems, and some initial magnetic implosion relevant prototype problems. The MIF relevant prototype problems include results from fully-implicit / implicit-explicit (IMEX) resistive MHD as well as full multifluid EM plasma formulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Demonstration of 3D Shower Reconstruction on MicroBooNE Data

Utilizing a sample of $\nu_µ$ inclusive charged current events we select four events which visually contain π 0 decays associated with a neutrino interaction vertex. This sample of charged current induced π 0 s provides us with data-driven photon showers to vet our reconstruction. The π 0 provides us with a standard candle to study how our shower reconstruction performs. The vertex of the interaction is determined by the start point of the long muon track in the event and the π 0 production point. We utilize two different methods to cluster the charge coming from these showers and reconstruct the 3D properties of the showers.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1985

Amphibole and hercynite spinel in Shergotty and Zagami Magmatic water, depth of crystallization, and metasomatism

Amphibole and spinel occur in the Shergotty and Zagami meteorites only in magmatic inclusions in pigeonite. The trapped magma is essentially identical to the parental magmas for Shergotty and Zagami. The amphibole is a kaersutite with minimal halogen content; by inference, it must have been hydrous. If so, the Shergotty and Zagami melts contained at least 0.2 wt pct H2O and were probably H2O-undersaturated. Pressures in excess of 1 kilobar seem necessary for the formation of amphibole. Spinel replaces magnetite in the inclusions, and olivine replaces magnetite elsewhere in the meteorites. To stabilize spinel, the melt in the inclusions must have become enriched in Al during fractionation, possibly because the small volume of the inclusions made nucleation of plagioclase unlikely. Pervasive replacement of magnetite through reduction reactions suggests that Shergotty and Zagami interacted with hydrogen-rich fluids during their cooling.

Treiman, A. H.↗
NASA NTRS2018

Spacecraft Micro-Vibration: A Survey of Problems, Experiences, Potential Solutions, and Some Lessons Learned

Predicting, managing, controlling, and testing spacecraft microvibrations due to on-board internal disturbance sources is a formidable multi-disciplinary systems engineering challenge, especially for those observatories hosting extremely sensitive optical sensor payloads with stringent requirements on allowable line-of-sight jitter. In this paper some specific spacecraft micro-vibration engineering challenges will be introduced and described. Technical background context is provided with the inclusion of several illustrative examples of NASA and European Space Agency missions (both past and present) where dynamic interactions have to be addressed and which have demanding payload instrument line-of-sight jitter requirements. A general modeling, analysis, simulation, and test approach to address and solve the overall problem of spacecraft micro-vibrations is outlined. Recommended rules of thumb are presented to provide guidance for analysts on where to initiate and how to approach a new spacecraft micro-vibration design problem. A set of experience-based spacecraft micro-vibration lessons learned are also presented in the hope they can be leveraged on new system development projects to help overcome unfamiliarity with previously identified microvibration technical pitfalls and challenges.

Dennehy, Cornelius↗
DOE OSTI2022

Development and Applications of an eReaxFF Force Field for Graphitic Anodes of Lithium-Ion Batteries

Graphene is one of the most promising materials for lithium-ion battery anodes due to its superior electronic conductivity, high surface area for lithium intercalation, fast ionic diffusivity and enhanced specific capacity. A reliable description of many battery processes requires an explicit description of electrochemical interactions involving electrons. A detailed atomistic modeling of electronic conduction and non-zero voltage simulations of graphitic materials require the inclusion of an explicit electronic degree of freedom. To enable large length- and time-scale simulations of electron conduction in graphitic anodes, we developed an eReaxFF force field concept describing graphitic materials with an explicit electron. The newly developed force field, verified against quantum chemistry-based data describing, amongst others, electron affinities and equation of states, reproduces the qualitative behavior of electron conductivity in pristine and imperfect graphitic materials at different applied temperatures and voltages. In addition, excess electron localization near a defect site estimated from eReaxFF simulations agree quite well with the corresponding density functional theory calculations. Here, our eReaxFF simulations show the initiation of lithium-metal-plating driven by electron transfer from the graphene surface to the exposed lithium ions demonstrating the method’s potential for studying lithium-graphene interactions with explicit electrons and explain many unresolved electrode and electrode-electrolyte interface processes.

25 ENERGY STORAGE↗
NASA NTRS2011

Validation and Simulation of Ares I Scale Model Acoustic Test - 3 - Modeling and Evaluating the Effect of Rainbird Water Deluge Inclusion

The Ares I Scale Model Acoustics Test (ASMAT) is a series of live-fire tests of scaled rocket motors meant to simulate the conditions of the Ares I launch configuration. These tests have provided a well documented set of high fidelity measurements useful for validation including data taken over a range of test conditions and containing phenomena like Ignition Over-Pressure and water suppression of acoustics. Building on dry simulations of the ASMAT tests with the vehicle at 5 ft. elevation (100 ft. real vehicle elevation), wet simulations of the ASMAT test setup have been performed using the Loci/CHEM computational fluid dynamics software to explore the effect of rainbird water suppression inclusion on the launch platform deck. Two-phase water simulation has been performed using an energy and mass coupled lagrangian particle system module where liquid phase emissions are segregated into clouds of virtual particles and gas phase mass transfer is accomplished through simple Weber number controlled breakup and boiling models. Comparisons have been performed to the dry 5 ft. elevation cases, using configurations with and without launch mounts. These cases have been used to explore the interaction between rainbird spray patterns and launch mount geometry and evaluate the acoustic sound pressure level knockdown achieved through above-deck rainbird deluge inclusion. This comparison has been anchored with validation from live-fire test data which showed a reduction in rainbird effectiveness with the presence of a launch mount.

Strutzenberg, Louise L.↗
DOE OSTI2016

TMDs and SSAs in hadronic interactions

Here we present an overview on the current experimental and phenomenological status of transverse single spin asymmetries (tSSAs) in proton-proton collisions. In particular, we focus on large- pT inclusive pion, photon, jet, pion-jet production and Drell-Yan processes. For all of them theoretical estimates are given in terms of a generalised parton model (GPM) based on a transverse momentum dependent (TMD) factorisation scheme. We also make comparisons with the corresponding results in a collinear twist-3 formalism and in a modified GPM approach. On the experimental side, a selection of the most interesting and recent results from RHIC is presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1986

Interactive graphics and analysis accuracy

An important objective of graphical finite element postprocessing is the facility to indicate to the engineer the accuracy of analysis results. The inclusion of mesh quality sensors permits a subjective evaluation of the adequacy of a single analysis being interpreted. For graphical approaches, both strain energy density gradients and discontinuities of unsmoothed responses and their gradients have proved to be effective sensors. Graphical tools which can display discontinuity information effectively are described; these are essentially different from the ordinary methods used for the viewing of smoothed results.

Abel, J. F.↗
NASA NTRS1998

Residual Stresses Modeled in Thermal Barrier Coatings

Thermal barrier coating (TBC) applications continue to increase as the need for greater engine efficiency in aircraft and land-based gas turbines increases. However, durability and reliability issues limit the benefits that can be derived from TBC's. A thorough understanding of the mechanisms that cause TBC failure is a key to increasing, as well as predicting, TBC durability. Oxidation of the bond coat has been repeatedly identified as one of the major factors affecting the durability of the ceramic top coat during service. However, the mechanisms by which oxidation facilitates TBC failure are poorly understood and require further characterization. In addition, researchers have suspected that other bond coat and top coat factors might influence TBC thermal fatigue life, both separately and through interactions with the mechanism of oxidation. These other factors include the bond coat coefficient of thermal expansion, the bond coat roughness, and the creep behavior of both the ceramic and bond coat layers. Although it is difficult to design an experiment to examine these factors unambiguously, it is possible to design a computer modeling "experiment" to examine the action and interaction of these factors, as well as to determine failure drivers for TBC's. Previous computer models have examined some of these factors separately to determine their effect on coating residual stresses, but none have examined all the factors concurrently. The purpose of this research, which was performed at DCT, Inc., in contract with the NASA Lewis Research Center, was to develop an inclusive finite element model to characterize the effects of oxidation on the residual stresses within the TBC system during thermal cycling as well as to examine the interaction of oxidation with the other factors affecting TBC life. The plasma sprayed, two-layer thermal barrier coating that was modeled incorporated a superalloy substrate, a NiCrAlY bond coat, and a ZrO2-8 wt % Y2O3 ceramic top coat. We examined the effect on stress during burner rig thermal cycling of the following independent variables: creep in the bond coat and top coat, oxidation, bond coat coefficient of thermal expansion, number of thermal cycles, and interfacial roughness. All these factors were suspected of influencing TBC failure. The model showed that all the material properties studied had a significant effect on the coating's residual stresses if the interface of the bond coat was rough. Bond coat expansion, bond coat oxidation, and bond coat creep had the highest effect on coating stresses, and these were highly interactive. The model also showed that the mechanism of stress generation during thermal cycling changed with the number of thermal cycles. Bond coat and top coat creep dominated stress generation during early thermal cycles, greatly increasing delamination stresses at the peaks of the bond coat. Therefore, creep is the prime driver for delamination cracking early in life, but cracking is limited to the bond coat peak region. Oxidation of the bond coat, on the other hand, tended to dominate stress generation during later cycles by greatly increasing delamination stresses over bond coat valleys. These results indicate that oxidation is the driver for the continued cracking necessary to cause ceramic layer spallation.

Freborg, A. M.↗
DOE OSTI2018

Properties of Poly(Vinyl Alcohol)/Chitosan Nanocomposite Films Reinforced with Oil Palm Empty Fruit Bunch Amorphous Lignocellulose Nanofibers

The objective of this study was to investigate the properties of poly(vinyl alcohol)/chitosan nanocomposite films reinforced with different concentration of amorphous LCNFs. The properties analyzed were morphological, physical, chemical, thermal, biological, and mechanical characteristics. Oil palm empty fruit bunch LCNFs obtained from multi-mechanical stages were more dominated by amorphous region than crystalline part. Varied film thickness, swelling degree, and transparency of PVA/chitosan nanocomposite films reinforced with amorphous part were produced. Aggregated LCNFs, which reinforced PVA/chitosan polymer blends, resulted in irregular, rough, and uneven external surfaces as well as protrusions. Based on XRD analysis, there were two or three imperative peaks that indicated the presence of crystalline states. The increase in LCNFs concentration above 0.5% to PVA/chitosan polymer blends led to the decrease in crystallinity index of the films. A noticeable alteration of FTIR spectra, which included wavenumber and intensity, was obviously observed along with the inclusion of amorphous LCNFs. That indicated that a good miscibility between amorphous LCNFs and PVA/chitosan polymer blend generated chemical interaction of those polymers during physical blending. Reinforcement of PVA/chitosan polymer blends with amorphous LCNFs influenced the changes of T{sub g} (glass transition temperature), T{sub m} (melting point temperature), and T{sub max} (maximum degradation temperature). Three thermal phases of PVA/chitosan/LCNFs nanocomposite films were also observed, including absorbed moisture evaporation, PVA and chitosan polymer backbone structural degradation and LCNFs pyrolysis, and by-products degradation of these polymers. The addition of LCNFs 0.5% had the highest tensile strength and the addition of LCNFs above 0.5% decreased the strength. The incorporation of OPEFB LCNFs did not show anti-microbial and anti-fungal properties of the films. The addition of amorphous LCNFs 0.5% into PVA/chitosan polymer blends resulted in regular and smooth external surfaces, enhanced tensile strength, increased crystallinity index, and enhanced thermal stability of the films.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Urea-Linked Covalent Organic Frameworks

2D covalent organic frameworks (COFs) with flexible urea linkages have been synthesized by condensation of 1,3,5-triformylphloroglucinol (TFP) with 1,4-phenylenediurea (BDU) or 1,1'-(3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diyl)diurea (DMBDU). The resulting COF-117 and COF-118 undergo reversible structural dynamics within their layers, in response to inclusion and removal of guest molecules, emanating from urea C-N bond rotation and interlayer hydrogen-bonding interactions. Furthermore, these compounds are the first urea-linked COFs, serving to expand the scope of reticular chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Electron and neutrino scattering off the deuteron in a relativistic framework

Here, we build a relativistic model to perform calculations of exclusive, semiexclusive, and inclusive unpolarized cross sections and various polarization observables in electron and neutrino scattering experiments with deuteron targets. The strong interaction dynamics is defined by an explicit dynamical unitary representation of the Poincaré group, where representations of space translations and rotations in the interacting and noninteracting representations are the same. The Argonne V18 potential is used to construct a relativistic nucleon-nucleon interaction reproducing the experimental deuteron binding energy and nucleon-nucleon scattering observables. Our formalism does not include the pion production channel and neglects two-body contributions in the electromagnetic as well as in the weak nuclear current operator. We show that it is applicable to processes at kinematics, where the internal two-nucleon energy remains below the pion production threshold but the magnitude of the three-momentum transfer extends at least to several GeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2004

Lapin Data Interchange Among Database, Analysis and Display Programs Using XML-Based Text Files

The purpose was to investigate and evaluate the interchange of application- specific data among multiple programs each carrying out part of the analysis and design task. This has been carried out previously by creating a custom program to read data produced by one application and then write that data to a file whose format is specific to the second application that needs all or part of that data. In this investigation, data of interest is described using the XML markup language that allows the data to be stored in a text-string. Software to transform output data of a task into an XML-string and software to read an XML string and extract all or a portion of the data needed for another application is used to link two independent applications together as part of an overall design effort. This approach was initially used with a standard analysis program, Lapin, along with standard applications a standard spreadsheet program, a relational database program, and a conventional dialog and display program to demonstrate the successful sharing of data among independent programs. See Engineering Analysis Using a Web-Based Protocol by J.D. Schoeffler and R.W. Claus, NASA TM-2002-211981, October 2002. Most of the effort beyond that demonstration has been concentrated on the inclusion of more complex display programs. Specifically, a custom-written windowing program organized around dialogs to control the interactions have been combined with an independent CAD program (Open Cascade) that supports sophisticated display of CAD elements such as lines, spline curves, and surfaces and turbine-blade data produced by an independent blade design program (UD0300).

Source record↗
NASA NTRS2005

Lapin Data Interchange Among Database, Analysis and Display Programs Using XML-Based Text Files

The purpose of grant NCC3-966 was to investigate and evaluate the interchange of application-specific data among multiple programs each carrying out part of the analysis and design task. This has been carried out previously by creating a custom program to read data produced by one application and then write that data to a file whose format is specific to the second application that needs all or part of that data. In this investigation, data of interest is described using the XML markup language that allows the data to be stored in a text-string. Software to transform output data of a task into an XML-string and software to read an XML string and extract all or a portion of the data needed for another application is used to link two independent applications together as part of an overall design effort. This approach was initially used with a standard analysis program, Lapin, along with standard applications a standard spreadsheet program, a relational database program, and a conventional dialog and display program to demonstrate the successful sharing of data among independent programs. Most of the effort beyond that demonstration has been concentrated on the inclusion of more complex display programs. Specifically, a custom-written windowing program organized around dialogs to control the interactions have been combined with an independent CAD program (Open Cascade) that supports sophisticated display of CAD elements such as lines, spline curves, and surfaces and turbine-blade data produced by an independent blade design program (UD0300).

Source record↗
NASA NTRS2005

Measurement of Recoil Losses and Ranges for Spallation Products Produced in Proton Interactions with Al, Si, Mg at 200 and 500 MeV

Cosmic rays interact with extraterrestrial materials to produce a variety of spallation products. If these cosmogenic nuclides are produced within an inclusion in such material, then an important consideration is the loss of the product nuclei, which recoil out of the inclusion. Of course, at the same time, some atoms of the product nuclei under study may be knocked into the inclusion from the surrounding material, which is likely to have a different composition to that of the inclusion [1]. For example, Ne-21 would be produced in presolar grains, such as SiC, when irradiated in interstellar space. However, to calculate a presolar age, one needs to know how much 21Ne is retained in the grain. For small grains, the recoil losses might be large [2, 3] To study this effect under laboratory conditions, recoil measurements were made using protons with energies from 66 - 1600 MeV on Si, Al and Ba targets [3, 4, 5].

Sisterson, J. M.↗