Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Chemical modification”

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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Adding intelligent services to an object oriented system

As today's software becomes increasingly complex, the need grows for intelligence of one sort or another to becomes part of the application, often an intelligence that does not readily fit the paradigm of one's software development. There are many methods of developing software, but at this time, the most promising is the object oriented (OO) method. This method involves an analysis to abstract the problem into separate 'objects' that are unique in the data that describe them and the behavior that they exhibit, and eventually to convert this analysis into computer code using a programming language that was designed (or retrofitted) for OO implementation. This paper discusses the creation of three different applications that are analyzed, designed, and programmed using the Shlaer/Mellor method of OO development and C++ as the programming language. All three, however, require the use of an expert system to provide an intelligence that C++ (or any other 'traditional' language) is not directly suited to supply. The flexibility of CLIPS permitted us to make modifications to it that allow seamless integration with any of our applications that require an expert system. We illustrate this integration with the following applications: (1) an after action review (AAR) station that assists a reviewer in watching a simulated tank battle and developing an AAR to critique the performance of the participants in the battle; (2) an embedded training system and over-the-shoulder coach for howitzer crewmen; and (3) a system to identify various chemical compounds from their infrared absorption spectra.

Robideaux, Bret R.↗
NASA NTRS1996

Radioactive Transfer Models for Saturn and Titan

The infrared spectra of the earth's atmosphere and planetary atmospheres contains information about atmospheric physical and chemical processes. Atmospheric molecular constituents absorb and emit infrared radiation by rotational and vibrational transition. Observed spectra exhibit characteristic features in the electromagnetic spectrum region. Observation of the absorption or thermal emission spectra may be obtained with space-borne high resolution infrared spectrometers in the 10-5000 cm(exp -1) (2-1000 micro-m) spectral region. Information about the atmospheric thermal structure, composition, and the chemical and physical processes of the observed spectral was accomplished. A preliminary version of a P-T retrieval algorithm for Saturn using all three modes for temperature inversion, e.g., CH4-limb, and H2-nadir spectra was completed and tested for accuracy. Radiative transfer and inversion programs were studied and analyzed for applications to infrared limb thermal emission observations of Saturn and Titan from the Cassini Orbiter, as well as Earth's atmosphere. Analysis and modification of the existing radiative transfer and inversion programs for Earth and planetary atmospheres are being made. Data analysis and retrieval of information form the observations by digital calculations were carried out at UAH and MSFC computer. The working program for generating and reading g-k arrays for using the c-k arrays via the c-k method for radiative transfer calculations for desired atmospheric and instrumental parameters was completed, tested for accuracy and resides at the MSFC computer.

Wu, S. T.↗
DOE OSTI2020

Radiation effects in Mn+1AXn phases

M n+1 AX n phases exhibit unique laminated atomic structures that result in properties typical of both ceramics and metals. Due to their unusual characteristics, these materials have been proposed for use in a wide variety of industrial applications, including in nuclear reactors—both fission and fusion systems—where they will be exposed to extreme irradiation conditions and high temperatures. Recently, numerous studies have investigated radiation effects on the M n+1 AX n phases, revealing complex behavior—phase transformations, surface modification, and mechanical property changes—induced by ion or neutron irradiation over a range of temperatures. This review summarizes recent experimental and theoretical work on the response of the M n+1 AX n phases to irradiation and discusses the intrinsic controls on the radiation tolerance of these materials. Based on the review of the present body of work, a comprehensive understanding of the mechanisms of irradiation-induced structural modification and defect evolution in M n+1 AX n phases is developed, as well as proposed strategies for designing novel M n+1 AX n phases with enhanced performance under extreme irradiation conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Reactor wall effects in Si–Cl 2 –Ar atomic layer etching

This work complements our previous manuscript [J. Vac. Sci. Technol. A41, 062602 (2023)] where predictions from molecular dynamics (MD) simulations of silicon–chlorine–argon (Si–Cl 2 –Ar) atomic layer etching (ALE) are compared to experiments. When etch product distributions for atomic chlorine (Cl) and silicon chlorides were initially compared to optical emission spectroscopy (OES) signals, it appeared that there was a discrepancy between the MD predictions and experimental results at higher ion fluences. Experiments showed a relatively long period of nearly constant Cl-containing etch products released from the ion-bombarded surface (referred to as the “plateau”) but this effect was not observed in MD simulations. In this report, we demonstrate that the “plateau” observed in the OES signals is most likely due to the desorption of Cl-containing etch products from the walls of the reactor and subsequent adsorption on the Si substrate. Experiments varying the gas residence time in the chamber while keeping incoming gas concentrations and pressure constant support this interpretation. We also conducted experiments with an additional Ar-only flow in the chamber to reduce the concentration of Cl-containing species on the chamber walls. For both sets of flow modification experiments, we observe results consistent with the hypothesis that Cl-containing species desorbing from chamber walls are a significant cause of the observed discrepancy between MD predictions and experimental observations. If the measured OES signals are corrected for this “additional” source of Cl-containing species at the surface, the MD predictions and measured OES signals are in excellent agreement. This further supports the predictive capability of MD simulations to accurately capture the relevant physical and chemical processes in plasma-assisted ALE processes. We provide an order of magnitude estimate of the required density of Cl-containing species that would account for the additional etch products observed. Finally, we discuss the implications of this effect on ALE in plasma nanofabrication.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

Physical Processing of Cometary Nuclei

Cometary nuclei preserve a cosmo-chemical record of conditions and processes in the primordial solar nebula, and possibly even the interstellar medium. However, that record is not perfectly preserved over the age of the solar system due to a variety of physical processes which act to modify cometary surfaces and interiors. Possible structural and/or internal processes include: collisional accretion, disruption, and reassembly during formation; internal heating by long and short-lived radionuclides; amorphous to crystalline phase transitions, and thermal stresses. Identified surface modification processes include: irradiation by galactic cosmic rays, solar protons, UV photons, and the Sun's T Tauri stage mass outflow; heating by passing stars and nearby supernovae; gardening by debris impacts; the accretion of interstellar dust and gas and accompanying erosion by hypervelocity dust impacts and sputtering; and solar heating with accompanying crust formation. These modification processes must be taken into account in both the planning and the interpretation of the results of a Comet Nucleus Sample Return Mission. Sampling of nuclei should be done at as great a depth below the surface crust as technically feasible, and at vents or fissures leading to exposed volatiles at depth. Samples of the expected cometary crust and near-surface layers also need to be returned for analysis to achieve a better understanding of the effects of these physical processes. We stress that comets are still likely less modified dm any other solar system bodies, but the degree of modification can vary greatly from one comet to the next.

Weissman, Paul R.↗
NASA NTRS2006

Turbulent Size Selection and Concentration of Chondrule-Sized Objects: Reynolds Number Invariance and Implications

It is generally agreed that individual chondrules formed as entities in a gaseous nebula prior to being accumulated into a meteorite parent body, within which they incur various forms of modification before arriving in our labs. While there are major unanswered questions about the properties of the nebula environment in which chondrules formed, the process by which the most primitive meteorites are formed overwhelmingly from chondrules must then be an aspect of "nebula processing". Textures in certain fragments of primitive meteorites might be summarized as being primarily chondrules and clastic, chondrule-sized, fragments of other minerals, each covered with a rim of fine dust with physical and chemical properties which are essentially independent of the composition and mineralogy of the underlying chondrule. This (unfortunately rather rare) texture was called "primary accretionary texture" to reflect their belief that it precedes subsequent stages in which fragmentation, comminution, mixing, heating, and other forms of alteration occur on the parent body(-ies). The size distribution of these chondrules and fragments, and the properties of their dusty rims, are key clues regarding the primary nebula accretion process. Even in the much more abundant meteorites which have clearly suffered internal mixing, abrasion, grinding, and even mineralogical alteration or replacement (due presumably to the collisional growth and heating process itself), key chondrule properties such as mean size and density remain relatively well defined, and well defined rims persist in many cases. It has been our goal to infer the key nebula processes indirectly from the properties of these very earliest primitive meteorites by making use of a theoretical framework in which the nebula possesses a plausible level of isotropic turbulence. We have shown that turbulence has the property of concentrating one particular particle size by orders of magnitude, where the preferentially concentrated size depends primarily on the intensity of the turbulent kinetic energy (represented by the Reynolds number of the nebula). Specifically, the preferentially concentrated particle is that which has a stopping time equal to the turnover time of the smallest eddy. The intensity level of turbulence implied by chondrule sizes can be maintained by even a small fraction of the energy released by the radially evolving disk (it must be noted that the details of how this transfer of energy actually occurs remain obscure, however).

Cuzzi, J. N.↗
NASA NTRS2015

Friction and Wear Management Using Solvent Partitioning of Hydrophilic-Surface-Interactive Chemicals Contained in Boundary Layer-Targeted Emulsions

Lubrication additives of the current invention require formation of emulsions in base lubricants, created with an aqueous salt solution plus a single-phase compound such that partitioning within the resulting emulsion provides thermodynamically targeted compounds for boundary layer organization thus establishing anti-friction and/or anti-wear. The single-phase compound is termed "boundary layer organizer", abbreviated BLO. These emulsion-contained compounds energetically favor association with tribologic surfaces in accord with the Second Law of Thermodynamics, and will organize boundary layers on those surfaces in ways specific to the chemistry of the salt and BLO additives. In this way friction modifications may be provided by BLOs targeted to boundary layers via emulsions within lubricating fluids, wherein those lubricating fluids may be water-based or oil-based.

Richmond, Robert Chaffee↗
NASA NTRS1990

Thermal control system corrosion study

During the development of an expert system for autonomous control of the Space Station Thermal Control System (TCS), the thermal performance of the Brassboard TCS began to gradually degrade. This degradation was due to filter clogging by metallic residue. A study was initiated to determine the source of the residue and the basic cause of the corrosion. The investigation focused on the TCS design, materials compatibility, Ames operating and maintenance procedures, and chemical analysis of the residue and of the anhydrous ammonia used as the principal refrigerant. It was concluded that the corrosion mechanisms involved two processes: the reaction of water alone with large, untreated aluminum parts in a high pH environment and the presence of chlorides and chloride salts. These salts will attack the aluminum oxide layer and may enable galvanic corrosion between the aluminum and the more noble stainless steel and other metallic elements present. Recommendations are made for modifications to the system design, the materials used, and the operating and maintenance procedures, which should largely prevent the recurrence of these corrosion mechanisms.

Yee, Robert↗
NASA NTRS1990

Interlaminar fracture in carbon fiber/thermoplastic composites

The surfaces of commercial carbon fibers are generally chemically cleaned or oxidized and then coated with an oligomeric sizing to optimize their adhesion to epoxy matrix resins. Evidence from fractography, from embedded fiber testing and from fracture energies suggests that these standard treatments are relatively ineffective for thermoplastic matrices. This evidence is reviewed and model thermoplastic composites (polyphenylene oxide/high strain carbon fibers) are used to demonstrate how differences in adhesion can lead to a twofold change in interlaminar fracture toughness. The potential for improved adhesion via plasma modification of fiber surfaces is discussed. Finally, a surprising case of fiber-catalyzed resin degradation is described.

Hinkley, J. A.↗
NASA NTRS2003

Estimating the Tropospheric Ozone Distribution by the Assimilation of Satellite Data

Tropospheric ozone is important to the environment, because it acts as a strong oxidant to control the concentrations of many reduced gases (methane, carbon monoxide, ... ), its radiative forcing plays a significant role in the greenhouse effect, and direct contact with ozone is harmful to human health. Tropospheric ozone, whose main sources are intrusion from the stratosphere and chemical production from source gases associated with urban pollution or biomass burning, varies on a wide range of spatial and temporal scales. Its transport and chemistry can be influenced by weather, seasonal, or multiannual variability. Despite the importance of tropospheric ozone, it contributes only about 10% of the total ozone loading in the atmosphere. Consequently, satellite instruments lose sensitivity below the stratospheric ozone peak, and provide little information about middle and lower tropospheric ozone. This talk will discuss recent modifications made to the satellite ozone data assimilation system at NASA's Data Assimilation Office (DAO) in order to provide better tropospheric ozone columns and profiles. We use a version of the system that assimilates only the data from the Solar Backscatter UltraViolet/2 (SBUV/2) instrument. The quality of the assimilated ozone in the tropical troposphere is evaluated by comparison with independent observations obtained from the Southern Hemispheric Additional Ozonesondes (SHADOZ) network. It is shown that the quality of ozone fields is sensitive to the winds used in the transport model. Increasing the vertical resolution of the model also has a beneficial impact. The assimilated ozone in the lower troposphere was substantially improved by inclusion of tropospheric ozone production, loss, and dry deposition rates from the Harvard GEOS-CHEM model. The mechanisms behind these results will be examined and the implications for our understanding of tropospheric ozone will be discussed.

Hayashi, Hiroo↗
DOE OSTI2023

VIPIR: A High-Throughput Drop-Weight Impact Instrument for Imaging the Initiation and Propagation of Reactions in Energetic Materials

Characterizing the handling safety and sensitivity of explosives has been a challenging area of study for over 60 years. Historically one of the most accessible and widely utilized experiments has been the drop-weight impact test, which involves dropping a weight on a small sample sandwiched between two anvils. Because this experiment generally only utilizes sound thresholds to determine whether or not a sample reacted, the physical and chemical properties governing sensitivity remain convolved. Better understanding of chemical and material characteristics is needed to give the chemistry and engineering communities a predictive tool to determine the handling sensitivity of explosives prior to pursuing expensive and potentially hazardous synthesis and formulation operations. Here, we are developing a high throughput drop tower instrument capable of imaging the deformation and flow of energetic materials during impact and the resulting thermal ignition and propagation events. This instrument is based on previous designs but has been modified for higher throughput and tailorable modifications in the future. Herein, we present key design features that enable high-speed visible and thermal imaging of explosive initiation by sub-shock impacts, as well as preliminary results in which ignition sites were observed in an erythritol tetranitrate sample.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Protocols for isolating and characterizing polysaccharides from plant cell walls: a case study using rhamnogalacturonan-II

Abstract Background In plants, a large diversity of polysaccharides comprise the cell wall. Each major type of plant cell wall polysaccharide, including cellulose, hemicellulose, and pectin, has distinct structures and functions that contribute to wall mechanics and influence plant morphogenesis. In recent years, pectin valorization has attracted much attention due to its expanding roles in biomass deconstruction, food and material science, and environmental remediation. However, pectin utilization has been limited by our incomplete knowledge of its structure. Herein, we present a workflow of principles relevant for the characterization of polysaccharide primary structure using nature’s most complex polysaccharide, rhamnogalacturonan-II (RG-II), as a model. Results We outline how to isolate RG-II from celery and duckweed cell walls and from red wine using chemical or enzymatic treatments coupled with size-exclusion chromatography. From there, we applied mass spectrometry (MS)-based techniques to determine the glycosyl residue and linkage compositions of the intact RG-II and derived oligosaccharides including special considerations for labile monosaccharides. In doing so, we demonstrated that in the duckweed Wolffiella repanda the arabinopyranosyl (Ara p ) residue of side chain B is substituted at O- 2 with rhamnose. We used electrospray-MS techniques to identify non-glycosyl modifications including methyl-ethers, methyl-esters, and acetyl-esters on RG-II-derived oligosaccharides. We then showed the utility of proton nuclear magnetic resonance spectroscopy ( 1 H-NMR) to investigate the structure of intact RG-II and to complement the RG-II dimerization studies performed using size-exclusion chromatography. Conclusions The complexity of pectic polysaccharide structures has hampered efforts aimed at their valorization. In this work, we used RG-II as a model to demonstrate the steps necessary to isolate and characterize polysaccharides using chromatographic, MS, and NMR techniques. The principles can be applied to the characterization of other saccharide structures and will help inform researchers on how saccharide structure relates to functional properties in the future.

09 BIOMASS FUELS↗
DOE OSTI2025

Acceleration of Thermochemistry Solves in MOOSE and Pronghorn

This work focuses on the development and implementation of strategies to accelerate thermochemical calculations within MOOSE-based multiphysics simulations, particularly for applications in MSRs. We highlight the inherent complexity of nuclear materials, which require a multiscale approach to accurately model their behavior across various physical domains, including mechanical, chemical, and thermal phenomena. Thermochemical equilibrium calculations are crucial for predicting material properties and enhancing the fidelity of these simulations. The integration of Thermochimica, a Gibbs energy minimizer, into MOOSE allows for the direct minimization of Gibbs energy at every point on the mesh. However, the computational cost of such integration is significant. To address this, we explored acceleration strategies such as multi-threading support and the use of a thermodynamic ValueCache to reduce redundant calculations. Additionally, we investigated modifications to Thermochimica to enable phase constraints and improve its coupling with phase-field models, which are essential for simulating microstructural evolution and corrosion in MSR. These efforts aim to optimize the computational efficiency and accuracy of multiphysics simulations, thereby supporting the development of reliable and efficient nuclear materials for next-generation reactor technologies.

36 - MATERIALS SCIENCE↗
NASA NTRS1995

Very low mass stars and white dwarfs in NGC 6397

Deep Wide Field/Planetary Camera 2 (WFPC2) images in wide bands centered at 606 and 802 nm were taken with the Hubble Space Telescope (HST) 4.6 min from the center of the galactic globular cluster NGC 6397. The images were used to accurately position approximately 2120 stars detected in the field on a color magnitude diagram down to a limiting magnitude m(sub 814) approximately = m(sub I) approximately = 26 determined reliably and solely by counting statistics. A white dwarf sequence and a rich, narrow cluster main sequence are detected for the first time, the latter stretching from m(sub 814) = 18.5 to m(sub 814) = 24.0 where it becomes indistinguishable from the field population. Two changes of slope of the main sequence at m(sub 814) approximately = 20 and m(sub 814) approximately = 22.5 are evident. The corresponding luminosity function increases slowly from M(sub 814) approximately = 6.5 to 8.5 are expected from ground-based observations but then drops sharply from there dwon to the measurement limit. The corresponding mass function obtained bu using the only presently available mass-luminosity function for the cluster's metallicity rises to a plateau between approximately 0.25 and approximately 0.15 solar mass, but drops toward the expected mass limit of the normal hydrogen burning main sequence at approximately 0.1 solar mass. This result is in clear contrast to that obtained from the ground and implies either a substantial modification of the cluster's initial mass function due to dynamical evolution in its lifetime, or that very low mass stars are not produced in any dynamically significant amount by clusters of this type. The white dwarf sequence is in reasonable agreement with a cooling sequence of models of mass 0.5 solar mass at the canonical distance of NGC 6397 with a scatter that is most likely due to photometric errors, but may also reflect real differences in mass or chemical composition. Contamination from unresolved galaxies, which cannot be reliably identified with our filters, makes it difficult to meaningfully compare the observed white dwarf luminosity function with its theoretical counterpart.

Paresce, Francesco↗
DOE OSTI2025

Effects of feruloyl-CoA 6'-hydroxylase 1 overexpression on lignin and cell wall characteristics in transgenic hybrid aspen

In plant cell walls, lignin, cellulose, and the hemicelluloses form intricate three-dimensional structures. Owing to its complexity, lignin often acts as a bottleneck for the efficient utilization of polysaccharide components as biochemicals and functional materials. A promising approach to mitigate and/or overcome lignin recalcitrance is the qualitative and quantitative modification of lignin by genetic engineering. Feruloyl-CoA 6'-hydroxylase (F6'H1) is a 2-oxoglutarate-dependent dioxygenase that catalyzes the conversion of feruloyl-CoA, one of the intermediates of the lignin biosynthetic pathway, into 6'-hydroxyferuloyl-CoA, the precursor of scopoletin (7-hydroxy-6-methoxycoumarin). In a previous study with Arabidopsis thaliana, we demonstrated that overexpression of F6'H1 under a xylem-preferential promoter led to scopoletin incorporation into the cell wall. This altered the chemical structure of lignin without affecting lignin content or saccharification efficiency. In the present study, the same F6'H1 construct was introduced into hybrid aspen (Populus tremula × tremuloides T89), a model woody plant, and its effects on plant morphology, lignin chemical structure, global gene expression, and phenolic metabolism were examined. The transgenic plants successfully overproduced scopoletin while exhibiting severe growth retardation, a phenotype not previously observed in Arabidopsis. Scopoletin accumulation was most pronounced in the secondary walls of tracheary elements and the compound middle lamella, with low levels in the fiber cell walls. Overexpression of F6'H1 also affected the metabolism of aromatics, including lignin precursors. Heteronuclear single-quantum coherence (HSQC) NMR spectroscopy revealed that scopoletin in cell walls was bound to lignin, leading to a reduction in lignin content and changes in its monomeric composition and molar mass distribution. Furthermore, the enzymatic saccharification efficiency of the transgenic cell walls was more than three times higher than that of the wild-type plants, even without pretreatment. Although addressing growth inhibition remains a priority, incorporating scopoletin into lignin demonstrates significant potential for improving woody biomass utilization.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRSDate not supplied

Radiative Heating Under Particulate-Laden Conditions During Hypersonic Planetary Entry

An important consideration while designing for hyper-sonic planetary entry is the interaction between the multitude of physical phenomena that manfist them-selves at these extreme conditions. This fact is also true for a Martian landing where in addition to thermo-chemical non-equilibriurm, vehicular predictions are impacted by radiative heating and potentially atmos-pheric dust. Previous studes have indicated that infra-red (IR) radiation emanating from CO2 and CO mole-cules constitute a significant fraction, especially in the backshell, of the total surface heat flux. In similar vein, dust particles, which can be present even under quiescent conditions, have been shown to increase the erosion rate of the heatshield. However, what remains relatively unquantified is the possible modification of the radiative environment due to the presence of dust. The present study is expected to provide the most de-tailed assessment to date of particles introducing changes to the radiative energy transfer both through the attenuation of existing shocked gas-induced radia-tion and additional emission.

Radiation↗
DOE OSTI2021

Approaches to genetic tool development for rapid domestication of non-model microorganisms

Abstract Non-model microorganisms often possess complex phenotypes that could be important for the future of biofuel and chemical production. They have received significant interest the last several years, but advancement is still slow due to the lack of a robust genetic toolbox in most organisms. Typically, “domestication” of a new non-model microorganism has been done on an ad hoc basis, and historically, it can take years to develop transformation and basic genetic tools. Here, we review the barriers and solutions to rapid development of genetic transformation tools in new hosts, with a major focus on Restriction-Modification systems, which are a well-known and significant barrier to efficient transformation. We further explore the tools and approaches used for efficient gene deletion, DNA insertion, and heterologous gene expression. Finally, more advanced and high-throughput tools are now being developed in diverse non-model microbes, paving the way for rapid and multiplexed genome engineering for biotechnology.

09 BIOMASS FUELS↗
NASA NTRS1984

Constituent Property - Composite Property Relationships in Thermoset Matrices

A procedure to effectively screen and evaluate resins for aerospace structures and advanced composites is described. The following conclusions were advanced: (1) laminate damage tolerance correlates positively with neat resin G sub IC; (2) TGDDM/DDS resins can be toughened; (3) using butadiene-nitrile rubbers, neat resin G sub IC and ultimate strain increase with increasing nitrile content, with the number of chemically reactive groups per molecule, and with increasing molecular weight; (4) better balance of properties combined with high G sub IC may be achieved by using tough glassy thermoplastics instead of rubbers to modify TGDDM/DDS resins; (5) both toughening mechanisms require good phase separation with an effective interphase; (6) the kind and the amount of thermoplastic modifier remain to be selected; and (7) presently only about a fourfold increase in G sub IC was achieved, whereas a forty fold increase is sought; modification of the matrix backbone and of crosslinking is required.

Diamant, J.↗