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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Electron-Impact Ionization of Methane

We report a study of the total ionization of CH_4 by electron impact and its dissociative ionization from the ^2T_2 channel. The calculation of the total ionization cross section uses the improved Binary-Encounter-Dipole model (iBED).(W. A Huo, Phys. Rev. A (submitted for publication).) The dipole Born cross section in the model is expressed in terms of a three-term representation and the optical oscillator strengths are taken from Backx and Van der Wiel.(C. Backx and M. J. Van der Wiel, I Phys. B 18) 3020 (1975). The nuclear dynamics for the dissociation of the ^2T_2 channel is studied using the statistical model. A search of the potential energy surface of the ^2T_2 state of CH_4^+ shows two minima, of C_2v and C_3v symmetries, in agreement with earlier calculations. ((a) K. Takeshita, J. Chem. Phys. 86), 329 (1987). (b) R. F. Frey and E. R. Davidson, J. Chem. Phys. 88, 1775 (1988). The dissociation of the CH_4^+ to CH_3^+ + H goes through a saddle point. Comparison with recent experimental data will be presented and the role of Jahn-Teller effect discussed.

Huo, Winifred M.↗
NASA NTRS1942

Aerodynamic Heat-Power Engine Operating on a Closed Cycle

Hot-air engines with dynamic compressors and turbines offer new prospects of success through utilization of units of high efficiencies and through the employment of modern materials of great strength at high temperature. Particular consideration is given to an aerodynamic prime mover operating on a closed circuit and heated externally. Increase of the pressure level of the circulating air permits a great increase of limit load of the unit. This also affords a possibility of regulation for which the internal efficiency of the unit changes but slightly. The effect of pressure and temperature losses is investigated. A general discussion is given of the experimental installation operating at the Escher Wyss plant in Zurich for a considerable time at high temperatures.

Ackeret, J.↗
NASA NTRS2008

Ground-based Network and Supersite Measurements for Studying Aerosol Properties and Aerosol-Cloud Interactions

From radiometric principles, it is expected that the retrieved properties of extensive aerosols and clouds from reflected/emitted measurements by satellite (and/or aircraft) should be consistent with those retrieved from transmitted/emitted radiance observed at the surface. Although space-borne remote sensing observations contain large spatial domain, they are often plagued by contamination of surface signatures. Thus, ground-based in-situ and remote-sensing measurements, where signals come directly from atmospheric constituents, the sun, and the Earth-atmosphere interactions, provide additional information content for comparisons that confirm quantitatively the usefulness of the integrated surface, aircraft, and satellite datasets. The development and deployment of AERONET (AErosol RObotic NETwork) sunphotometer network and SMART-COMMIT (Surface-sensing Measurements for Atmospheric Radiative Transfer - Chemical, Optical & Microphysical Measurements of In-situ Troposphere) mobile supersite are aimed for the optimal utilization of collocated ground-based observations as constraints to yield higher fidelity satellite retrievals and to determine any sampling bias due to target conditions. To characterize the regional natural and anthropogenic aerosols, AERONET is an internationally federated network of unique sunphotometry that contains more than 250 permanent sites worldwide. Since 1993, there are more than 480 million aerosol optical depth observations and about 15 sites have continuous records longer than 10 years for annual/seasonal trend analyses. To quantify the energetics of the surface-atmosphere system and the atmospheric processes, SMART-COMMIT instrument into three categories: flux radiometer, radiance sensor and in-situ probe. Through participation in many satellite remote-sensing/retrieval and validation projects over eight years, SMART-COMMIT have gradually refine( and been proven vital for field deployment. In this paper, we will demonstrate the capability of AERONET SMART-COMMIT in current Asian Monsoon Year-2008 campaigns that are designed and being executed to study the compelling variability in temporal scale of both anthropogenic and natural aerosols (e.g., airborne dust, smoke, mega-city pollutant). Feedback mechanisms between aerosol radiative effects and monsoon dynamics have been recently proposed, however there is a lack of consensus on whether aerosol forcing would be more likely to enhance or reduce the strength of the monsoon circulation. We envision robust approaches which well-collocated ground-based measurements and space-borne observations will greatly advance our understanding of absorbing aerosols (e.g., "Global Dimming" vs. "Elevated Heat-Pump" effects) on aerosol cloud water cycle interactions.

Tsay, Si-Chee↗
NASA NTRS2011

Hybrid CFD/CAA Modeling for Liftoff Acoustic Predictions

This paper presents development efforts at the NASA Marshall Space flight Center to establish a hybrid Computational Fluid Dynamics and Computational Aero-Acoustics (CFD/CAA) simulation system for launch vehicle liftoff acoustics environment analysis. Acoustic prediction engineering tools based on empirical jet acoustic strength and directivity models or scaled historical measurements are of limited value in efforts to proactively design and optimize launch vehicles and launch facility configurations for liftoff acoustics. CFD based modeling approaches are now able to capture the important details of vehicle specific plume flow environment, identifY the noise generation sources, and allow assessment of the influence of launch pad geometric details and sound mitigation measures such as water injection. However, CFD methodologies are numerically too dissipative to accurately capture the propagation of the acoustic waves in the large CFD models. The hybrid CFD/CAA approach combines the high-fidelity CFD analysis capable of identifYing the acoustic sources with a fast and efficient Boundary Element Method (BEM) that accurately propagates the acoustic field from the source locations. The BEM approach was chosen for its ability to properly account for reflections and scattering of acoustic waves from launch pad structures. The paper will present an overview of the technology components of the CFD/CAA framework and discuss plans for demonstration and validation against test data.

Strutzenberg, Louise L.↗
NASA NTRS2006

Dynamic Fracture Initiation Toughness at Elevated Temperatures With Application to the New Generation of Titanium Aluminide Alloys

Recently, a new generation of titanium aluminide alloy, named Gamma-Met PX, has been developed with better rolling and post-rolling characteristics. I'revious work on this alloy has shown the material to have higher strengths at room and elevated temperatures when compared with other gamma titanium aluminides. In particular, this new alloy has shown increased ductility at elevated temperatures under both quasi-static and high strain rate uniaxial compressive loading. However, its high strain rate tensile ductility at room and elevated temperatures is limited to approx. 1%. In the present chapter, results of a study to investigate the effects of loading rate and test temperature on the dynamic fracture initiation toughness in Gamma-Met PX are presented. Modified split Hopkinson pressure bar was used along with high-speed photography to determine the crack initiation time. Three-point bend dynamic fracture experiments were conducted at impact speeds of approx. 1 m/s and tests temperatures of up-to 1200 C. The results show that thc dynamic fracture initiation toughness decreases with increasing test temperatures beyond 600 C. Furthermore, thc effect of long time high temperature air exposure on the fracture toughness was investigated. The dynamic fracture initiation toughness was found to decrease with increasing exposure time. The reasons behind this drop are analyzed and discussed.

Shazly, Mostafa↗
DOE OSTI2021

Dynamic Symmetry Breaking in Chiral Magnetic Systems

The Dzyaloshinskii–Moriya interaction (DMI) in magnetic systems stabilizes spin textures with preferred chirality, applicable to next-generation memory and computing architectures. In perpendicularly magnetized heavy-metal/ferromagnet films, the interfacial DMI originating from structural inversion asymmetry and strong spin-orbit coupling favors chiral Néel-type domain walls (DWs) whose energetics and mobility remain at issue. Thus, a new effect is characterized in which domains expand unidirectionally in response to a combination of out-of-plane and in-plane magnetic fields, with the growth direction controlled by the in-plane field strength. These growth directionalities and symmetries with applied fields cannot be understood from static treatments alone. The authors theoretically demonstrate that perpendicular field torques stabilize steady-state magnetization profiles highly asymmetric in elastic energy, resulting in a dynamic symmetry breaking consistent with the experimental findings. This phenomenon sheds light on the mechanisms governing the dynamics of Néel-type DWs and expands the utility of field-driven DW motion to probe and control chiral DWs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Atomistic study of silicon alloying in the spallation behavior of nanocrystalline aluminum systems

Here, the effect of concentration of the alloying element silicon (Si) on the shock and spall response of aluminum (Al) is studied using classical molecular dynamics (MD) simulations. Silicon is distributed as individual grains and as grain boundaries and the dynamic response under shock is studied for an impact velocity of 1000 m/s. A general trend observed here is that the spallation is almost exclusively intergranular and limited to Al-Si interfaces. The spall strengths are observed to a) decrease with an increase in alloying of Si as grains and b) show little increase for up to 50% grain boundary segregation. An increase in grain size of the whole system showed negligible differences in spall strength, highlighting the significance of concentration of the alloying species rather than its grain size. These results provide an atomistic understanding of light-weight metallic systems under shock compression and pave the way for designing multiphase metal matrix alloys and composites for defense/armor applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Compositional effects on cure kinetics, mechanical properties and printability of dual-cure epoxy/acrylate resins for DIW additive manufacturing

Interest in 3D printing of thermoset resins has increased significantly in recent years. One approach to additive manufacturing of thermoset resins is printing dual-cure resins with direct ink write (DIW). Dual-cure resins are multi-component resins which employ an in situ curable constituent to enable net-shape fabrication while a second constituent and cure mechanism contribute to the final mechanical properties of the printed materials. In this work, the cure kinetics, green strength, printability, and print fidelity of dual-cure epoxy/acrylate thermoset resins are investigated. Resin properties are evaluated as a function of acrylate concentration and in situ UV exposure conditions. The acrylate cure kinetics are probed using photo-differential scanning calorimetry and the impacts of resin composition and UV cure profile on the acrylate extent of conversion are presented. Continuous and pulsed UV cure profiles are shown to affect total conversion due to variances in radical efficiency at different UV intensities and acrylate concentrations. The effects of acrylate concentration on the kinetics of the epoxy thermal cure and the final mechanical properties are also investigated using dynamic mechanical analysis and three-point bend measurements. The glass transition temperature is dependent on formulation, with increasing acrylate content decreasing the T g . However, the room temperature shear moduli, flexural moduli, strength, strain-to-failure, and toughness values are relatively independent of resin composition. The similarity of the final properties allows for greater flexibility in resin formulation and in situ cure parameters, which can enable the printing of complex parts that require high green strength. We found that the in situ UV print intensities and exposure profiles that are necessary to achieve the best print quality are not, in most cases, the conditions that maximize conversion of the acrylate network. Lastly, this highlights the importance of developing optimized resin compositions which enable complete cure of the acrylate network by promoting acrylate dark cure or thermal cure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Phase transformation dynamics guided alloy development for additive manufacturing

Fusion-based additive manufacturing technologies enable the fabrication of geometrically and compositionally complex parts unachievable by conventional manufacturing methods. However, the non-uniform and far-from-equilibrium heating/cooling conditions pose a significant challenge to consistently obtaining desirable phases in the as-printed parts. Here, in this study, we report a martensite stainless steel development guided by phase transformation dynamics revealed by in-situ high-speed, high-energy, high-resolution X-ray diffraction. This developed stainless steel consistently forms desired fully martensitic structure across a wide range of cooling rates (10 2 –10 7 °C/s), which enables direct printing of parts with fully martensitic structure. The as-printed material exhibits a yield strength of 1157 ± 23 MPa, comparable to its wrought counterpart after precipitation-hardening heat-treatment. The as-printed property is attributed to the fully martensitic structure and the fine precipitates formed during the intrinsic heat treatment in additive manufacturing. The phase transformation dynamics guided alloy development strategy demonstrated here opens the path for developing reliable, high-performance alloys specific for additive manufacturing.

17–4 PH stainless steel↗
NASA NTRS2004

Characterization of Composite Fan Case Resins

The majority of commercial turbine engines that power today s aircraft use a large fan driven by the engine core to generate thrust which dramatically increases the engine s efficiency. However, if one of these fan blades fails during flight, it becomes high energy shrapnel, potentially impacting the engine or puncturing the aircraft itself and thus risking the lives of passengers. To solve this problem, the fan case must be capable of containing a fan blade should it break off during flight. Currently, all commercial fan cases are made of either just a thick metal barrier or a thinner metal wall surrounded by Kevlar-an ultra strong fiber that elastically catches the blade. My summer 2004 project was to characterize the resins for a composite fan case that will be lighter and more efficient than the current metal. The composite fan case is created by braiding carbon fibers and injecting a polymer resin into the braid. The resin holds the fibers together, so at first using the strongest polymer appears to logically lead to the strongest fan case. Unfortunately, the stronger polymers are too viscous when melted. This makes the manufacturing process more difficult because the polymer does not flow as freely through the braid, and the final product is less dense. With all of this in mind, it is important to remember that the strength of the polymer is still imperative; the case must still contain blades with high impact energy. The research identified which polymer had the right balance of properties, including ease of fabrication, toughness, and ability to transfer the load to the carbon fibers. Resin deformation was studied to better understand the composite response during high speed impact. My role in this research was the testing of polymers using dynamic mechanical analysis and tensile, compression, and torsion testing. Dynamic mechanical analysis examines the response of materials under cyclic loading. Two techniques were used for dynamic mechanical analysis. The ARES Instrument analyzed the material through torsion. The second machine, TA Instruments apparatus, applied a bending force to the specimen. These experiments were used to explore the effects of temperature and strain rate on the stiffness and strength of the resins. The two different types of loading allowed us to verify our results. An axial-torsional load frame, manufactured by MTS Systems, Inc., was used to conduct the tensile, compression, and torsional testing. These tests were used to determine the stress-strain curves for the resins. The elastic and plastic deformation data was provided to another team member for characterization of high fidelity material property predictions. This information was useful in having a better understanding of the polymers so that the fan cases could be as sturdy as possible. Deformation studies are the foundation for the computational modeling that provides the structural design of a composite engine case as well as detailed analysis of the blade impact event.

Dvoracek, Charlene M.↗
DOE OSTI2021

Computational study of the effect of core–skin structure on the mechanical properties of carbon nanofibers

The effect of the core–skin structure on the mechanical properties of carbon nanofibers is investigated in large-scale molecular dynamics simulations of tensile deformation of carbon nanofibers with the core–skin and homogeneous structures. Contrary to an established notion of the deleterious effect of the skin layer on the strength of carbon fibers, the presence of a high-quality skin layer is found to increase both the Young’s modulus and tensile strength of the nanofiber. A detailed analysis of the fracture process indicates that the nanofiber strengthening is related to the ability of skin layer to suppress crack nucleation at the core–skin interface. Furthermore, the computational predictions suggest that the design of new approaches to carbon fiber manufacturing and processing leading to the generation of a high-quality skin layer while avoiding the introduction of structural defects at the core–skin interface may yield a significant enhancement of the mechanical properties of carbon fibers.

36 MATERIALS SCIENCE↗
NASA NTRS2009

CFD Analysis of Nozzle Jet Plume Effects on Sonic Boom Signature

An axisymmetric full Navier-Stokes computational fluid dynamics study is conducted to examine nozzle exhaust jet plume effects on the sonic boom signature of a supersonic aircraft. A simplified axisymmetric nozzle geometry, representative of the nozzle on the NASA Dryden NF-15B Lift and Nozzle Change Effects on Tail Shock research airplane, is considered. The computational fluid dynamics code is validated using available wind-tunnel sonic boom experimental data. The effects of grid size, spatial order of accuracy, grid type, and flow viscosity on the accuracy of the predicted sonic boom pressure signature are quantified. Grid lines parallel to the Mach wave direction are found to give the best results. Second-order accurate upwind methods are required as a minimum for accurate sonic boom simulations. The highly underexpanded nozzle flow is found to provide significantly more reduction in the tail shock strength in the sonic boom N-wave pressure signature than perfectly expanded and overexpanded nozzle flows. A tail shock train in the sonic boom signature is observed for the highly underexpanded nozzle flow. Axisymmetric computational fluid dynamics simulations show the flow physics inside the F-15 nozzle to be nonisentropic and complex. Although the one-dimensional isentropic nozzle plume results look reasonable, they fail to capture the sonic boom shock train in the highly underexpanded nozzle flow.

Bui, Trong T.↗
NASA NTRS2009

CFD Analysis of Nozzle Jet Plume Effects on Sonic Boom Signature

A computational fluid dynamics study is conducted to examine nozzle exhaust jet plume effects on the Sonic boom signature of a supersonic aircraft. A simplified axisymmetric nozzle geometry, representative of the nozzle on the NASA Dryden NF-15B Lift and Nozzle Change Effects on Tail Shock research airplane, is considered. The computational fluid dynamics code is validated using available wind-tunnel sonic boom experimental data. The effects of grid size, spatial order of accuracy. grid type, and flow viscosity on the accuracy of the predicted sonic boom pressure signature are quantified. Grid lines parallel to the Mach wave direction are found to give the best results. Second-order accurate upwind methods are required as a minimum for accurate sonic boom simulations. The highly underexpanded nozzle flow is found to provide significantly more reduction in the tail shock strength in the sonic boom N-wave pressure signature than perfectly expanded and overexpanded nozzle flows. A tail shock train in the sonic boom signature is observed for the highly underexpanded nozzle flow. Axisymmetric computational fluid dynamics simulations show the flow physics inside the F-15 nozzle to be nonisentropic and complex.

Bui, Trong T.↗
DOE OSTI2020

Dynamics at the serine loop underlie differential affinity of cryptochromes for CLOCK:BMAL1 to control circadian timing

Mammalian circadian rhythms are generated by a transcription-based feedback loop in which CLOCK:BMAL1 drives transcription of its repressors (PER1/2, CRY1/2), which ultimately interact with CLOCK:BMAL1 to close the feedback loop with ~24 hr periodicity. Here we pinpoint a key difference between CRY1 and CRY2 that underlies their differential strengths as transcriptional repressors. Both cryptochromes bind the BMAL1 transactivation domain similarly to sequester it from coactivators and repress CLOCK:BMAL1 activity. However, we find that CRY1 is recruited with much higher affinity to the PAS domain core of CLOCK:BMAL1, allowing it to serve as a stronger repressor that lengthens circadian period. We discovered a dynamic serine-rich loop adjacent to the secondary pocket in the photolyase homology region (PHR) domain that regulates differential binding of cryptochromes to the PAS domain core of CLOCK:BMAL1. Notably, binding of the co-repressor PER2 remodels the serine loop of CRY2, making it more CRY1-like and enhancing its affinity for CLOCK:BMAL1.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRSDate not supplied

Investigation of Physical Mechanisms for Jet Noise Reduction by Plug Nozzle Porosity

This paper presents the results of a computational study on porous-plug nozzles for their eventual application in reducing takeoff noise levels for supersonic civil transport. The study explores a wide range of porous-plug geometries, encompassing variations in hole size, plug length and porosity. Computational fluid dynamics (CFD) analyses are employed in concert with an advanced automated mesh refinement (AMR) scheme, Sketch-to-Solution (S2S), to investigate porous plug nozzle design strategies that may diminish shock strength, broad-band shock noise (BBSN), flow separation, and other undesirable characteristics associated with high takeoff noise levels. A selected subset of the porous-plug nozzles that were analyzed computationally were manufactured at subscale using stereolithography 3D printing. These nozzles were tested experimentally, obtaining far-field noise spectral data and schlieren flow visualization pictures. Detailed comparisons between CFD predictions and experimental results were conducted. These comparisons focus on gaining a better understanding of the underlying physical mechanisms responsible for noise reduction with the porous plugs relative to corresponding solid plugs.

computational fluid dynamics↗
DOE OSTI2021

Confinement effects and acid strength in zeolites

Chemical reactivity and sorption in zeolites are coupled to confinement and—to a lesser extent—to the acid strength of Brønsted acid sites (BAS). In presence of water the zeolite Brønsted acid sites eventually convert into hydronium ions. The gradual transition from zeolite Brønsted acid sites to hydronium ions in zeolites of varying pore size is examined by ab initio molecular dynamics combined with enhanced sampling based on Well-Tempered Metadynamics and a recently developed set of collective variables. While at low water content (1–2 water/BAS) the acidic protons prefer to be shared between zeolites and water, higher water contents (n > 2) invariably lead to solvation of the protons within a localized water cluster adjacent to the BAS. At low water loadings the standard free energy of the formed complexes is dominated by enthalpy and is associated with the acid strength of the BAS and the space around the site. Conversely, the entropy increases linearly with the concentration of waters in the pores, favors proton solvation and is independent of the pore size/shape.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

An integrated computational materials engineering framework to analyze the failure behaviors of carbon fiber reinforced polymer composites for lightweight vehicle applications

A bottom-up multi-scale modeling approach is used to develop an Integrated Computational Materials Engineering (ICME) framework for carbon fiber reinforced polymer (CFRP) composites, which has the potential to reduce development to deployment lead time for structural applications in lightweight vehicles. In this work, we develop and integrate computational models comprising of four size scales to fully describe and characterize three types of CFRP composites. In detail, the properties of the interphase region are determined by an analytical gradient model and molecular dynamics analysis at the nano-scale, which is then incorporated into micro-scale unidirectional (UD) representative volume element (RVE) models to characterize the failure strengths and envelopes of UD CFRP composites. Then, the results are leveraged to propose an elasto-plastic-damage constitutive law for UD composites to study the fiber tows of woven composites as well as the chips of sheet molding compound (SMC) composites. Subsequently, the failure mechanisms and failure strengths of woven and SMC composites are predicted by the meso-scale RVE models. Finally, building upon the models and results from lower scales, we show that a homogenized macro-scale model can capture the mechanical performance of a hat-section-shaped part under four-point bending. Along with the model integration, we will also demonstrate that the computational results are in good agreement with experiments conducted at different scales. The present work illustrates the potential and significance of integrated multi-scale computational modeling tools that can virtually evaluate the performance of CFRP composites and provide design guidance for CFRP composites used in structural applications.

36 MATERIALS SCIENCE↗