SEARCH · Engineering Papers

Results for “utility selection process”

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.

SourceResearch connectionFrom yearThrough year

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

At least 1,063 records · Page 59

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Characterizing the Payback and Profitability for Automated Heavy Duty Vehicle Platooning

Heavy duty vehicle platooning under highway operating conditions has been projected to provide significant fuel economy gains based on aerodynamic drag improvements of the platooning vehicles. Realizing these benefits and the economic viability under real-world operating conditions presents several challenges. The objective of this paper (the third as part of a series) is to analytically quantify the payback and profitability of heavy-duty vehicles platooning across the U.S. Interstate highway system. In this paper, a rigorous assessment of several factors that influence the platooning system payback for an end-user as well as the revenue potential for suppliers who may be utilizing an equipment lease model dependent on end-user savings, is presented. In this assessment key interactions explored include market adoption rates, platooning velocities, platoon-able daily mileage, platooning likelihood, variations in baseline powertrain fuel economy (diesel or electric), price of fuel (diesel or electricity), platooning fuel economy benefits, price of the added technology, and the impact of natural platooning due to traffic interactions. Further, the paper explores the economic impact of higher levels of vehicle automation for the trailing vehicles in the platoon, where extending the driver Hours of Service (HoS) may provide additional financial benefits. While the approach makes use of a limited fidelity vehicle analytical model for longitudinal dynamics and operations economics, the narrative provides application decision personnel with a mechanism and well-defined set of impact factors to consider as part of their architectural selection process.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

Application of Principal Component Analysis for the Monitoring of the Aging Process of Nuclear Electrical Cable Insulation

To ensure the safe operation of nuclear power plants (NPPs), it is critical to understand how NPP electrical cable insulation will degrade under different service environments. In this study, various nondestructive examination methods were selected to evaluate degradation of electrical cable insulation after aging. Elongation at break, indenter modulus, relaxation constant, mass change, total color difference, and carbonyl index were collected stepwise on cross-linked polyethylene (XLPE) cable insulations after predetermined exposure intervals. Three different insulation aging scenarios were investigated: 1) simultaneous irradiation and heating at 150°C, 2) heating at 150°C followed by corresponding times of irradiation at ambient temperature, and 3) irradiation at ambient temperature followed by heating at 150°C for the same duration. A constant dose rate of 300 Gy/hr was selected with a total gamma irradiation absorbed dose up to 320 kGy. To gain insight into the long-term performance of NPP electrical cable insulation, principal component analysis (PCA), a data-driven approach, was utilized to identify key indicators of cable insulation degradation. By reducing the dimensionality of the data while retaining degradation information, PCA was used to highlight the changes in the measured properties under gamma irradiation according to total absorbed dose and the different aging scenarios.

Li, Donghui↗

DOE OSTI2020

Eliminating dissolution of platinum-based electrocatalysts at the atomic scale

Deployment of proton-exchange membrane fuel cells is limited by the durability of Pt-nanoscale catalysts during cathodic oxygen reduction reactions. Dissolution processes on single crystalline and thin film surfaces are now correlated leading to the design of PtAu catalysts with suppressed dissolution. A remaining challenge for the deployment of proton-exchange membrane fuel cells is the limited durability of platinum (Pt) nanoscale materials that operate at high voltages during the cathodic oxygen reduction reaction. In this work, atomic-scale insight into well-defined single-crystalline, thin-film and nanoscale surfaces exposed Pt dissolution trends that governed the design and synthesis of durable materials. A newly defined metric, intrinsic dissolution, is essential to understanding the correlation between the measured Pt loss, surface structure, size and ratio of Pt nanoparticles in a carbon (C) support. It was found that the utilization of a gold (Au) underlayer promotes ordering of Pt surface atoms towards a (111) structure, whereas Au on the surface selectively protects low-coordinated Pt sites. Finally, this mitigation strategy was applied towards 3 nm Pt 3 Au/C nanoparticles and resulted in the elimination of Pt dissolution in the liquid electrolyte, which included a 30-fold durability improvement versus 3 nm Pt/C over an extended potential range up to 1.2 V.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Intermediate Scale Test Platform Conceptual Design and Hybrid Resin Performance Evaluation Recommendations

Recent laboratory evaluations demonstrated that further testing of alternative hybrid resins is warranted for their potential use as part of the 200 West Area (200W) pump-and-treat (P&T) remedy. 200W P&T has been treating technetium (Tc) since 2012 and uranium (U) since 2015 via two separate ion exchange (IX) treatment units: a single treatment train (i.e., a three-vessel system) for the removal of uranium utilizing a gel strong base anion (SBA) exchange resin, Dowex 21K; and two parallel treatment trains for the removal technetium using a gel SBA resin, Purolite® A532E. While these resins have been removing these contaminants effectively, new hybrid resins can provide additional benefits of further optimizing the IX treatment unit capacities and addressing additional treatment needs (e.g., Cr(VI)) by removing multiple contaminants simultaneously and/or through specific design configurations. Some of these resins also demonstrated some level of removal for I-129 which would be significant for expansion of the P&T into the 200 East Area. This document provides design recommendations for an intermediate scale test platform (ISTP) to evaluate alternative hybrid IX resin performance under conditions approaching field scale and using 200W P&T process groundwater. Results from the ISTP will provide the technical basis required to inform alternative IX resin selection in future 200W P&T facility operations where the treatment of multiple contaminants of concern may be required.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1981

Passive components for high temperature operation

The development of resistors, capacitors, and interconnect metalizations utilizing a low pressure chemical vapor deposition (LPCVD) process is described. The LPCVD process allows the passive components to be fabricated at temperatures higher than their highest operating temperatures. The deposition of thin films by LPCVD is accomplished by reacting one or more gases on the surface of a heated substrate. The substrates to be coated are placed on a graphite susceptor and then loaded into the center of a quartz reaction tube. The RF power is applied to the coil on the outside of the reaction tube which in turn is coupled into the graphite susceptor causing it to heat. Pressures of several torr or less are typical, with carrier flow rates of 0.1 to 2.0 liters/min. Nitrogen, hydrogen, and helium are typical carrier gases. These are controlled with mass flow controllers and the pressure is continuously monitored with a capacitive manometer. Materials selection and device testing are also discussed.

Raymond, L. S.↗

NASA NTRS2003

PEM-INST-001: Instructions for Plastic Encapsulated Microcircuit (PEM) Selection, Screening, and Qualification

Potential users of plastic encapsulated microcircuits (PEMs) need to be reminded that unlike the military system of producing robust high-reliability microcircuits that are designed to perform acceptably in a variety of harsh environments, PEMs are primarily designed for use in benign environments where equipment is easily accessed for repair or replacement. The methods of analysis applied to military products to demonstrate high reliability cannot always be applied to PEMs. This makes it difficult for users to characterize PEMs for two reasons: 1. Due to the major differences in design and construction, the standard test practices used to ensure that military devices are robust and have high reliability often cannot be applied to PEMs that have a smaller operating temperature range and are typically more frail and susceptible to moisture absorption. In contrast, high-reliability military microcircuits usually utilize large, robust, high-temperature packages that are hermetically sealed. 2. Unlike the military high-reliability system, users of PEMs have little visibility into commercial manufacturers proprietary design, materials, die traceability, and production processes and procedures. There is no central authority that monitors PEM commercial product for quality, and there are no controls in place that can be imposed across all commercial manufacturers to provide confidence to high-reliability users that a common acceptable level of quality exists for all PEMs manufacturers. Consequently, there is no guaranteed control over the type of reliability that is built into commercial product, and there is no guarantee that different lots from the same manufacturer are equally acceptable. And regarding application, there is no guarantee that commercial products intended for use in benign environments will provide acceptable performance and reliability in harsh space environments. The qualification and screening processes contained in this document are intended to detect poor-quality lots and screen out early random failures from use in space flight hardware. However, since it cannot be guaranteed that quality was designed and built into PEMs that are appropriate for space applications, users cannot screen in quality that may not exist. It must be understood that due to the variety of materials, processes, and technologies used to design and produce PEMs, this test process may not accelerate and detect all failure mechanisms. While the tests herein will increase user confidence that PEMs with otherwise unknown reliability can be used in space environments, such testing may not guarantee the same level of reliability offered by military microcircuits. PEMs should only be used where due to performance needs there are no alternatives in the military high-reliability market, and projects are willing to accept higher risk.

Teverovsky, Alexander↗

DOE OSTI2024

Critical Review of LPBF Metal Print Defects Detection: Roles of Selective Sensing Technology

The integrative potential of LPBF-printed parts for various innovative applications depends upon the robustness and infallibility of the part quality. Eliminating or sufficiently reducing factors contributing to the formation of defects is an integral step to achieving satisfiable part quality. Significant research efforts have been conducted to understand and quantify the triggers and origins of LPBF defects by investigating the material properties and process parameters for LPBF-printed geometries using various sensing technologies and techniques. Frequently, combinations of sensing techniques are applied to deepen the understanding of the investigated phenomena. The main objectives of this review are to cover the roles of selective sensing technologies by (1) providing a summary of LPBF metal print defects and their corresponding causes, (2) informing readers of the vast number and types of technologies and methodologies available to detect defects in LPBF-printed parts, and (3) equipping readers with publications geared towards defect detection using combinations of sensing technologies. Due to the large pool of developed sensing technology in the last few years for LPBF-printed parts that may be designed for targeting a specific defect in metal alloys, the article herein focuses on sensing technology that is common and applicable to most common defects and has been utilized in characterization for an extended period with proven efficiency and applicability to LPBF metal parts defect detection.

36 MATERIALS SCIENCE↗

NASA NTRS2016

Impact of Flight Enthalpy, Fuel Simulant, and Chemical Reactions on the Mixing Characteristics of Several Injectors at Hypervelocity Flow Conditions

The high total temperatures or total enthalpies required to duplicate the high-speed flight conditions in ground experiments often place stringent requirements on the material selection and cooling needs for the test articles and intrusive flow diagnostic equipment. Furthermore, for internal flows, these conditions often complicate the use of nonintrusive diagnostics that need optical access to the test section and interior portions of the flowpath. Because of the technical challenges and increased costs associated with experimentation at high values of total enthalpy, an attempt is often made to reduce it. This is the case for the Enhanced Injection and Mixing Project (EIMP) currently underway in the Arc-Heated Scramjet Test Facility at the NASA Langley Research Center. The EIMP aims to investigate supersonic combustion ramjet (scramjet) fuel injection and mixing physics, improve the understanding of underlying physical processes, and develop enhancement strategies and functional relationships between mixing performance and losses relevant to flight Mach numbers greater than 8. The experiments will consider a "direct-connect" approach and utilize a Mach 6 nozzle to simulate the combustor entrance flow of a scramjet engine. However, while the value of the Mach number is matched to that expected at the combustor entrance in flight, the maximum value of the total enthalpy for these experiments is limited by the thermal-structural limits of the uncooled experimental hardware. Furthermore, the fuel simulant is helium, not hydrogen. The use of "cold" flows and non-reacting mixtures of fuel simulants for mixing experiments is not new and has been extensively utilized as a screening technique for scramjet fuel injectors. In this study, Reynolds-averaged simulations are utilized (RAS) to systematically verify the implicit assumptions used by the EIMP. This is accomplished by first performing RAS of mixing for two injector configurations at planned nominal experimental conditions. The mixing parameters of interest, such as mixing efficiency and total pressure recovery, are then computed and compared to the values obtained from RAS under the true enthalpy conditions and using helium and hydrogen. Finally, the impact of combustion on mixing, often deemed small enough to neglect at hypervelocity conditions, is assessed by comparing the results obtained from the hydrogen-fueled reacting and non-reacting RAS. For reacting flows, in addition to mixing efficiency and total pressure recovery, the combustion efficiency and thrust potential are also considered. In all of the simulations, the incoming air Mach number and the fuel-to-air ratio are the same, while the total pressure, total enthalpy, and the fuel simulant vary depending on the case considered. It is found that under some conditions the "cold" flow experiments are a good approximation of the flight.

Drozda, Tomasz G.↗

NASA NTRS1996

An Interdisciplinary Undergraduate Space Physics Course: Understanding the Process of Science Through One Field's Colorful History

Science education in this country is in its greatest period of ferment since the post-Sputnik frenzy a generation ago. In that earlier time, however, educators' emphasis was on producing more scientists and engineers. Today we recognize that all Americans need a good science background. The ability to observe, measure, think quantitatively, and reach logical conclusions based on available evidence is a set of skills that everyone entering the workforce needs to acquire if our country is to be competitive in a global economy. Moreover, as public policy increasingly crystallizes around scientific issues, it is critical that citizens be educated in science so that they may provide informed debate and on these issues. In order to develop this idea more fully, I proposed to teach a historically based course about space physics as an honors course at the University of Maryland-College Park (UMCP). The honors program at UMCP was established to foster broad-based undergraduate courses that utilize innovative teaching techniques to provide exemplary education to a select group of students. I designed an introductory course that would have four basic goals: to acquaint students with geomagnetic and auroral phenomena and their relationship to the space environment; to examine issues related to the history of science using the evolution of the field as an example; to develop familiarity with basic skills such as describing and interpreting observations, analyzing scientific papers, and communicating the results of their own research; and to provide some understanding of basic physics, especially those aspect that play a role in the near-earth space environment.

Lopez, Ramon E.↗

NASA NTRS2012

Real-Time X-ray Radiography Diagnostics of Components in Solid Rocket Motors

Solid rocket motors (SRMs) typically use nozzle materials which are required to maintain their shape as well as insulate the underlying support structure during the motor operation. In addition, SRMs need internal insulation materials to protect the motor case from the harsh environment resulting from the combustion of solid propellant. In the nozzle, typical materials consist of high density graphite, carbon-carbon composites and carbon phenolic composites. Internal insulation of the motor cases is typically a composite material with carbon, asbestos, Kevlar, or silica fibers in an ablative matrix such as EPDM or NBR. For both nozzle and internal insulation materials, the charring process occurs when the hot combustion products heat the material intensely. The pyrolysis of the matrix material takes away a portion of the thermal energy near the wall surface and leaves behind a char layer. The fiber reinforcement retains the porous char layer which provides continued thermal protection from the hot combustion products. It is of great interest to characterize both the total erosion rates of the material and the char layer thickness. By better understanding of the erosion process for a particular ablative material in a specific flow environment, the required insulation material thickness can be properly selected. The recession rates of internal insulation and nozzle materials of SRMs are typically determined by testing in some sort of simulated environment; either arc-jet testing, flame torch testing, or subscale SRMs of different size. Material recession rates are deduced by comparison of pre- and post-test measurements and then averaging over the duration of the test. However, these averaging techniques cannot be used to determine the instantaneous recession rates of the material. Knowledge of the variation in recession rates in response to the instantaneous flow conditions during the motor operation is of great importance. For example, in many SRM configurations the recession of the solid propellant grain can drastically alter the flow-field and effect the recession of internal insulation and nozzle materials. Simultaneous measurement of the overall erosion rate, the development of the char layer, and the recession of the char-virgin interface during the motor operation can be rather difficult. While invasive techniques have been used with limited success, they have serious drawbacks. Break wires or make wire sensors can be installed into a sufficient number of locations in the charring material from which a time history of the charring surface can be deduced. These sensors fundamentally alter the local structure of the material in which they are imbedded. Also, the location of these sensors within the material is not known precisely without the use of an X-ray. To determine instantaneous recession rates, real-time X-ray radiography (X-ray RTR) has been utilized in several SRM experiments at PSU. The X-ray RTR system discussed in this paper consists of an X-ray source, X-ray image intensifier, and CCD camera connected to a capture computer. The system has been used to examine the ablation process of internal insulation as well as nozzle material erosion in a subscale SRM. The X-ray source is rated to 320 kV at 10 mA and has both a large (5.5 mm) and small (3.0 mm) focal spot. The lead-lined cesium iodide X-ray image intensifier produces an image which is captured by a CCD camera with a 1,000 x 1,000 pixel resolution. To produce accurate imagery of the object of interest, the alignment of the X-ray source to the X-ray image intensifier is crucial. The image sequences captured during the operation of an SRM are then processed to enhance the quality of the images. This procedure allows for computer software to extract data on the total erosion rate and the char layer thickness. Figure 1 Error! Reference source not found.shows a sequence of images captured during the operation the subscale SRM with the X-ray RTR system. The X-rayTR system, alignment procedure, uncertainty determination, and image analysis process will be discussed in detail in the full manuscript.

Cortopassi, A. C.↗

DOE OSTI2026

Migration of Al within dealuminated beta extruded catalysts influences olefin distribution during ethanol upgrading

Zeolites serve as essential catalytic platforms for many industrial processes, including emerging ethanol-to-olefins (ETO) upgrading technologies. Although metal-loaded (Cu, Zn, Y) dealuminated beta (deAlBeta) zeolite powders are promising catalysts for direct ETO conversion with high selectivity to butene-rich C3+ olefins necessary for production of sustainable aviation fuels (SAF), development of these materials as shaped technical bodies through the incorporation of binders is required for scale-up and commercial viability. Here, we report the ethanol upgrading performance of Cu-Zn-Y/deAlBeta extruded catalysts formulated with either alumina or kaolin clay binders. Both extrudates exhibit high ethanol dehydration reactivity which competes with the initial ethanol dehydrogenation step in the direct ETO reaction network. Consequently, elevated selectivity to dehydration side products (ethylene, diethyl ether) at ∼100% ethanol conversion is observed on Cu-Zn-Y/deAlBeta extrudates compared to the powder catalyst, which inhibits production of desired C3+ olefins. Utilizing microscopy and spectroscopic characterizations, we attribute this to Al migration from binder to zeolite particles within the extrudates, thus re-aluminating the zeolite and generating Brønsted acid sites active for dehydration reactions. This work elucidates the effects of binder incorporation on ETO product distributions and emphasizes that binder selection must be carefully considered during design of extruded zeolite catalysts.

Jacobs, Hunter [ORNL] (ORCID:000000016190874X)↗

DOE OSTI2020

Luminescent Enhancement for Combined Solar and Commercial Agriculture. Final Report

This proposal will develop a new racking / mounting system combined with a new agriculture-tuned luminescent solar panel for low cost high tunnel implementation to produce both crops and electricity for small local farms. Crop trials performed under this specialized panel/racking system can be extended to open field agriculture with standard utility scale racking system in phase II. The US agricultural industry uses about 300 billion KW-hr of energy / year. Of this energy consumption, roughly 20% goes towards food production and 20% goes towards food processing. This proposal will allow farm land to simultaneously generate electricity, food AND provide jobs. Employment is one of the largest hurdles for the introduction of solar into rural areas. The ability to provide agricultural jobs in addition to solar energy from a plot of land will pave the way for greater adoption of photovoltaics in rural areas. A cost effective and highly durable hybrid power generating high tunnel greenhouse will be developed that generates electricity at less than $2.50/watt INSTALLED cost and can be used for crop production of high values crops. The high tunnel will use a new design of Soliculture greenhouse integrated luminescent solar panels to selectively absorb the green portion of the solar spectrum that is not used by plants and convert the light to red light with higher photosynthetic efficiency and to enhance power output of solar cells. Green light is selectively downshifted to red light using luminescent materials that match the photosythetically active region for plants and the efficiency maximum of Si photovoltaic cells. The color tuning associated with converting green light to red light has been shown to facilitate fruit production in commercial greenhouses growing cucumbers, lettuce and herbs.

14 SOLAR ENERGY↗

NASA NTRS2006

Tool for Analysis and Reduction of Scientific Data

The Automated Scheduling and Planning Environment (ASPEN) computer program has been updated to version 3.0. ASPEN as a whole (up to version 2.0) has been summarized, and selected aspects of ASPEN have been discussed in several previous NASA Tech Briefs articles. Restated briefly, ASPEN is a modular, reconfigurable, application software framework for solving batch problems that involve reasoning about time, activities, states, and resources. Applications of ASPEN can include planning spacecraft missions, scheduling of personnel, and managing supply chains, inventories, and production lines. ASPEN 3.0 can be customized for a wide range of applications and for a variety of computing environments that include various central processing units and randomaccess memories. Domain-specific reasoning modules (e.g., modules for determining orbits for spacecraft) can easily be plugged into ASPEN 3.0. Improvements over other, similar software that have been incorporated into ASPEN 3.0 include a provision for more expressive time-line values, new parsing capabilities afforded by an ASPEN language based on Extensible Markup Language, improved search capabilities, and improved interfaces to other, utility-type software (notably including MATLAB).

James, Mark↗

NASA NTRS2018

Greedy Sampling and Incremental Surrogate Model-Based Tailoring of Aeroservoelastic Model Database for Flexible Aircraft

This paper presents a data analysis and modeling framework to tailor and develop linear parameter-varying (LPV) aeroservoelastic (ASE) model database for flexible aircrafts in broad 2D flight parameter space. The Kriging surrogate model is constructed using ASE models at a fraction of grid points within the original model database, and then the ASE model at any flight condition can be obtained simply through surrogate model interpolation. The greedy sampling algorithm is developed to select the next sample point that carries the worst relative error between the surrogate model prediction and the benchmark model in the frequency domain among all input-output channels. The process is iterated to incrementally improve surrogate model accuracy till a pre-determined tolerance or iteration budget is met. The methodology is applied to the ASE model database of a flexible aircraft currently being tested at NASA/AFRC for flutter suppression and gust load alleviation. Our studies indicate that the proposed method can reduce the number of models in the original database by 67%. Even so the ASE models obtained through Kriging interpolation match the model in the original database constructed directly from the physics-based tool with the worst relative error far below 1%. The interpolated ASE model exhibits continuously-varying gains along a set of prescribed flight conditions. More importantly, the selected grid points are distributed non-uniformly in the parameter space, a) capturing the distinctly different dynamic behavior and its dependence on flight parameters, and b) reiterating the need and utility for adaptive space sampling techniques for ASE model database compaction. The present framework is directly extendible to high-dimensional flight parameter space, and can be used to guide the ASE model development, model order reduction, robust control synthesis and novel vehicle design of flexible aircraft.

numerical analysi↗

NASA NTRSDate not supplied

Voxel Based Three-Dimensional Topology Optimization of Heat Exchanger Fins

Increasing interest in novel aircraft propulsion systems and potential for unwanted heat generation, or capture and reuse of waste heat, may require increasingly lightweight and high performing heat exchangers. Advances in manufacturing technologies have shown potential to create complex designs, but design tools need more flexibility. This study utilizes genetic algorithm-driven topology optimization to develop high performance heat exchanger fins for critical applications such as aerospace. The solid domain is generated using voxel representation where a voxel value of 1 indicates the solid domain and a voxel value of 0 refers to the fluid domain. The use of voxel representation somewhat matches the digitization of a model that is required to fabricate using additive manufacturing, and also allows for a highly unconstrained geometry. To test the topology optimization approach, a three-dimensional(3D)baseline offset strip fin geometry in steady laminar flow(Reynolds number = 215)with conjugate heat transfer(simultaneous solution of solid and fluid temperature fields)is optimized. New designs are generated using the genetic algorithm (GA) and sent to evaluation by the CFD software OpenFOAM; then the GA sorts and selects the reproduction pool for the following generation. This process is repeated for 60 generations. The study also investigates the effect off in material on the performance of the GA and the resulting designs. The results show that the optimal designs have overall performance improvement of 18% relative to the baseline. Additionally, a fin constructed of a lower conductivity material (such as an Inconel super alloy that might be necessary for waste heat recovery applications)results in lower overall performance improvement (11%)and optimal designs with higher pressure drop relative to their baseline, and relative to optimal designs produced using higher conductivity materials.

3D Optimization↗

DOE OSTI2025

Manipulating the Assembly and Architecture of Fibrillar Silk

Silk is a unique and exceptionally strong biological material. However, no synthetic method has yet come close to replicating the properties of natural silk. This shortfall is attributed to an insufficient understanding of both silk nanofibril structure and the mechanism of formation. Here in situ atomic force microscopy (AFM) and photo-induced force microscopy (PiFM) is utilized to investigate the formation process and define the basic structural paradigm of individual silk nanofibrils. By visualizing the multistage process of silk nanofibril formation, the importance of conformational transformations along the assembly pathway is revealed. Unfolded silk structures initially accumulate into amorphous clusters, which then evolve into crystal nuclei via conformational transformation into β-crystallites. Nanofibril elongation then occurs through the attachment of silk molecules at a single end of the nanofibril tip; this is facilitated through the formation of a new amorphous cluster that then repeats the aforementioned conformational transformation. However, enzymatic digestion of the amorphous regions leads to direct, rapid elongation of β-crystalline fibers. These findings imply that the energy landscape is characterized by shallow minima associated with intermediate states, which can be eliminated by introducing β-crystallites, and motivate research into the directed modification of the silk assembly pathway to select for features beneficial to specific applications.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Carbon fiber synthesis from pitch: Insights from ReaxFF based molecular dynamics simulations

Despite the potential to lowering fabrication costs of pitch-based carbon fiber (CF) compared to polyacrylonitrile-based CF, large scale utilization is currently limited by the complexity in manufacturing. This is mainly due to the lack of consistency between the pitch structure/chemistry and CF properties under different processing conditions. Here, we employed full atomistic simulations based on reactive force fields to investigate the conversion of pitch precursors to CFs. Additionally, it was found that at the carbonization stage, the consumption rates of precursors, gas formations, and solid yields (carbonized CFs) are all dependent on the composition and arrangement of molecular moieties in the precursor. Specifically, precursors with sp 3 carbons in the cata-condensed core area have limited decomposition pathways (i.e., limited reaction sites), which leads to the formation of carbonized CFs with similar compositions. Furthermore, carbonized CFs possess distinct structural characteristics, and finally lead to the formation of CFs with different moduli. By analyzing CF crystallinity and elemental composition, general rationales are proposed for the selection of optimal precursors and processing conditions, and thus shed lights on parameter screening during industrial CF synthesis. For instance, inclusion of sp 3 carbons in cata- condensed rings can be preferred over the presence of sp 3 carbons on side chains.

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS1983

Ad Hoc modeling, expert problem solving, and R&T program evaluation

A simplified cost and time (SCAT) analysis program utilizing personal-computer technology is presented and demonstrated in the case of the NASA-Goddard end-to-end data system. The difficulties encountered in implementing complex program-selection and evaluation models in the research and technology field are outlined. The prototype SCAT system described here is designed to allow user-friendly ad hoc modeling in real time and at low cost. A worksheet constructed on the computer screen displays the critical parameters and shows how each is affected when one is altered experimentally. In the NASA case, satellite data-output and control requirements, ground-facility data-handling capabilities, and project priorities are intricately interrelated. Scenario studies of the effects of spacecraft phaseout or new spacecraft on throughput and delay parameters are shown. The use of a network of personal computers for higher-level coordination of decision-making processes is suggested, as a complement or alternative to complex large-scale modeling.

Silverman, B. G.↗