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Results for “Conditional rate functions”

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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Lessons Learned in Employing Data Analytics to Predict Oxidation Kinetics and Spallation Behavior of High-Temperature NiCr-Based Alloys

Machine learning (ML) can offer many advantages in predicting material properties over traditional materials development methods based solely on limited experimental investigations or physical-based simulations with the capability to reduce development cost, risk, and time. However, so far, limited efforts have been made to predict alloy oxidation kinetics and spallation behavior via ML due to the lack of consistently measured and sufficient experimental data and the inherent complexity in oxidation behavior of multicomponent high-temperature alloys. A previous study reported the ability of ML to predict oxidation kinetics of NiCr-based alloys as a function of alloy composition and operating conditions. Here, the performance of a ML model in predicting rate constants and spallation probability was evaluated in light of the roles of the data distribution of the experimental dataset (data analytics), the alloy composition, the exposure environment and the chosen oxidation approach to extracting kinetic values from the measured mass changes (but using either a simple parabolic law or a statistical cyclic oxidation model). Potential strategies to improve the predictions and enhance the extrapolative capability of the previously trained model will be discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Accelerating gradient descent and Adam via fractional gradients

Here we propose a class of novel fractional-order optimization algorithms. We define a fractional-order gradient via the Caputo fractional derivatives that generalizes integer-order gradient. We refer it to as the Caputo fractional-based gradient, and develop an efficient implementation to compute it. A general class of fractional-order optimization methods is then obtained by replacing integer-order gradients with the Caputo fractional-based gradients. To give concrete algorithms, we consider gradient descent (GD) and Adam, and extend them to the Caputo fractional GD (CfGD) and the Caputo fractional Adam (CfAdam). We demonstrate the superiority of CfGD and CfAdam on several large scale optimization problems that arise from scientific machine learning applications, such as ill-conditioned least squares problem on real-world data and the training of neural networks involving non-convex objective functions. Numerical examples show that both CfGD and CfAdam result in acceleration over GD and Adam, respectively. We also derive error bounds of CfGD for quadratic functions, which further indicate that CfGD could mitigate the dependence on the condition number in the rate of convergence and results in significant acceleration over GD.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Approximating the particle distribution in rotating and tandem mirror traps

Steady-state distribution functions can be used to calculate stability conditions for modes, radiation energy losses and particle loss rates. Heuristic analytic approximations to these distributions can capture key behaviors of the true distributions such as the relative speeds of different transport processes while possessing computational advantages over their numerical counterparts. In this paper, we motivate and present a closed-form ana- lytic model for a distribution of particles in a centrifugal or tandem mirror. We find that our model outperforms other known models in approximating numerical steady- state simulations outside of a narrow range of low confining potentials. We demonstrate the model’s suitability in the high confining potential regime for applications such as loss-cone stability thresholds, fusion yields and available energy.

Li, G.X.↗
DOE OSTI2025

Approximating the particle distribution in rotating and tandem mirror traps

Steady-state distribution functions can be used to calculate stability conditions for modes, radiation energy losses and particle loss rates. Heuristic analytic approximations to these distributions can capture key behaviors of the true distributions such as the relative speeds of different transport processes while possessing computational advantages over their numerical counterparts. In this paper, we motivate and present a closed-form analytic model for a distribution of particles in a centrifugal or tandem mirror. We find that our model outperforms other known models in approximating numerical steady-state simulations outside of a narrow range of low confining potentials. We demonstrate the model’s suitability in the high confining potential regime for applications such as loss-cone stability thresholds, fusion yields and available energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Solubility-limited depolymerization kinetics in the glycolysis of carbonyl-containing polymers

Chemical recycling of condensation polymers is often rationalized on the basis of the intrinsic reactivity of ester and carbonate functional groups. However, under heterogeneous conditions relevant to plastic waste processing and environmental degradation, bulk depolymerization rates often diverge from trends predicted by homogeneous chemistry. Here, we investigate how polymer–solvent compatibility, catalyst strength, and phase behavior govern the heterogeneous glycolysis of carbonyl-containing polymers. Using poly(ethylene terephthalate) (PET), glycol-modified PET (PETG), and bisphenol-A polycarbonate (PC) as model systems, we examine depolymerization kinetics at 180 °C with ethylene glycol and bisphenol A as diols under both amphoteric organosalt (TBD : MSA) and strong base (TBD) catalysis. Despite substantial differences in crystallinity and glycol uptake, PET and PETG depolymerize at comparable rates under organosalt catalysis, while PC depolymerizes significantly more slowly under identical conditions. Time-resolved molecular weight analysis and thermal characterization demonstrate that these rate differences do not arise from crystallinity, swelling, or inherent carbonyl reactivity, but instead reflect solubility-limited kinetics that constrain the transition from heterogeneous to homogeneous reaction regimes. When polymer solubility is low, depolymerization remains heterogeneous and slow; when solubility is enhanced—either through increased polymer–diol compatibility or stronger base catalysis—rapid homogeneous depolymerization is observed, reversing apparent reactivity trends. These results establish solubility and phase behavior as primary determinants of depolymerization kinetics in heterogeneous polymer recycling systems. By demonstrating how catalyst selection and solvent compatibility can expose or overcome solubility limitations, this work provides mechanistic insight to design more energy-efficient and selective chemical recycling processes. More broadly, these findings suggest that polymers with limited solvent or water compatibility may resist chemical degradation in the environment, favoring fragmentation and persistence as micro- and nanoplastics. Understanding solubility-controlled depolymerization offers a pathway toward more sustainable polymer design and end-of-life chemical recovery.

Watson-Sanders, Shelby [Department of Chemistry, U↗
DOE OSTI2016

Highly efficient and selective pressure-assisted photon-induced polymerization of styrene

The polymerization process of condensed styrene to produce polystyrene as an industrially important polymeric material was investigated using a novel approach by combining external compression with ultraviolet radiation. The reaction evolution was monitored as a function of time and the reaction products were characterized by in situ Fourier transform infrared spectroscopy. By optimizing the loading pressures, we observed highly efficient and selective production of polystyrene of different tacticities. Specifically, at relatively low loading pressures, infrared spectra suggest that styrene monomers transform to amorphous atactic polystyrene (APS) with minor crystalline isotactic polystyrene. In contrast, APS was found to be the sole product when polymerization occurs at relatively higher loading pressures. The time-dependent reaction profiles allow the examination of the polymerization kinetics by analyzing the rate constant and activation volume as a function of pressure. As a result, an optimized pressure condition, which allows a barrierless reaction to proceed, was identified and attributed to the very desirable reaction yield and kinetics. Finally, the photoinitiated reaction mechanism and the growth geometry of the polymer chains were investigated from the energy diagram of styrene and by the topology analysis of the crystal styrene. This study shows strong promise to produce functional polymeric materials in a highly efficient and controlled manner.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Simulating environmentally-sensitive tree recruitment in vegetation demographic models

Vegetation demographic models (VDMs) endeavor to predict how global forests will respond to climate change. This requires simulating which trees, if any, are able to recruit under changing environmental conditions. We present a new recruitment scheme for VDMs in which functional-type-specific recruitment rates are sensitive to light, soil moisture and the productivity of reproductive trees. We evaluate the scheme by predicting tree recruitment for four tropical tree functional types under varying meteorology and canopy structure at Barro Colorado Island, Panama. We compare predictions to those of a current VDM, quantitative observations and ecological expectations. We find that the scheme improves the magnitude and rank order of recruitment rates among functional types and captures recruitment limitations in response to variable understory light, soil moisture and precipitation regimes. Furthermore, our results indicate that adopting this framework will improve VDM capacity to predict functional-type-specific tree recruitment in response to climate change, thereby improving predictions of future forest distribution, composition and function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Soil penetration by maize roots is negatively related to ethylene‐induced thickening

Abstract Radial expansion is a classic response of roots to a mechanical impedance that has generally been assumed to aid penetration. We analysed the response of maize nodal roots to impedance to test the hypothesis that radial expansion is not related to the ability of roots to cross a compacted soil layer. Genotypes varied in their ability to cross the compacted layer, and those with a steeper approach to the compacted layer or less radial expansion in the compacted layer were more likely to cross the layer and achieve greater depth. Root radial expansion was due to cortical cell size expansion, while cortical cell file number remained constant. Genotypes and nodal root classes that exhibited radial expansion in the compacted soil layer generally also thickened in response to exogenous ethylene in hydroponic culture, that is, radial expansion in response to ethylene was correlated with the thickening response to impedance in soil. We propose that ethylene insensitive roots, that is, those that do not thicken and can overcome impedance, have a competitive advantage under mechanically impeded conditions as they can maintain their elongation rates. We suggest that prolonged exposure to ethylene could function as a stop signal for axial root growth.

Vanhees, Dorien J.↗
NASA NTRS1996

Survey of Experimental Results From One Year of PASP PLUS Orbital Operation

With PASP Plus as its primary payload, the APEX satellite was launched by a standard Pegasus rocket released from a NASA B-52 aircraft on 3 August 1994. A 70 deg inclination, 363 km X 2550 km orbit was achieved, allowing both investigation of space plasma effects on high-voltage operation in the perigee region and investigation of space radiation effects on array power output from passage through the inner radiation belt in the apogee region. Data gathering by PASP Plus was begun on 7 Aug 94 and ended on 11 Aug 95. In one year, PASP Plus collected an order of magnitude more data on environmental interactions on solar arrays than all previous space-borne photovoltaic experiments combined. The test arrays flown and the interactions-measuring and space-environment sensors of PASP Plus are described. The results of measurements of leakage current under test-array positive biasing and arc rates under negative biasing as a function of bias voltage, plasma density, array orientation, and other conditions are presented. The results of measurements of test-array power-output degradation caused by space radiation are also examined.

PHOTOVOLTAIC EFFECT↗
NASA NTRS2004

Anomolous Fatigue Crack Growth Phenomena in High-Strength Steel

The growth of a fatigue crack through a material is the result of a complex interaction between the applied loading, component geometry, three-dimensional constraint, load history, environment, material microstructure and several other factors. Previous studies have developed experimental and computational methods to relate the fatigue crack growth rate to many of the above conditions, with the intent of discovering some fundamental material response, i.e. crack growth rate as a function of something. Currently, the technical community uses the stress intensity factor solution as a simplistic means to relate fatigue crack growth rate to loading, geometry and all other variables. The stress intensity factor solution is a very simple linear-elastic representation of the continuum mechanics portion of crack growth. In this paper, the authors present fatigue crack growth rate data for two different high strength steel alloys generated using standard methods. The steels exhibit behaviour that appears unexplainable, compared to an aluminium alloy presented as a baseline for comparison, using the stress intensity factor solution.

Forth, Scott C.↗
NASA NTRS2009

Implications of Advanced Crew Escape Suit Transpiration for the Orion Program

Human testing was conducted to more fully characterize the integrated performance of the Advanced Crew Escape Suit (ACES) with liquid cooling provide by an Individual Cooling Unit (ICU) across a broad range of environmental conditions and metabolic rates. Together with a correlation for the ACES Liquid Cooling Garment as a function of inlet temperature, metabolic rate, and crew size, a reasonably conservative correlation for core temperature was achieved for the human thermal model applied to the ACES with ICU cooling. A key observation for this correlation was accounting for transpiration of evaporated sweat through the Gortex(Registered TradeMark) liner of the ACES indicated by as much as 0.6 lbm of sweat evaporated over the course of the 1 hour test profile, most of which could not be attributed to respiration or head sweat evaporation of the crew. Historically it has been assumed that transpiration was not an important design feature of the ACES suit. The correlated human thermal model will show transpiration to be highly useful in hot survival situations for the Orion Program when adequate liquid cooling is not available.

Bue, Grant↗
NASA NTRS2022

Gas-Liquid Flows Through Porous Media in Microgravity: Packed Bed Reactor Experiment-2

Modifications were made to the Packed Bed Reactor Experiment (PBRE) and flown on the ISS as PBRE-2 to eliminate external pressure oscillations at higher liquid flow rates and the packing diameter was reduced to increase the pressure gradient for lower flows. It is found that gas hold-up is a function of bed history at low liquid and gas flow rates whereas higher gas hold-up and pressure gradients are observed for the test conditions following a liquid only pre-flow compared to the test conditions following a gas only pre-flow period. Over the range of flow rates tested, the capillary force is the dominant contributor to the pressure gradient, which is found to be linear with the superficial liquid velocity but is a much weaker function of the superficial gas velocity, and varying inversely with the particle diameter.

Mahsa Taghavi↗
DOE OSTI2025

Local practically safe extremum seeking with assignable rate of attractivity to the safe set

We present Assignably Safe Extremum Seeking (ASfES), an algorithm designed to minimize a measured, static objective function while maintaining a measured, static metric of safety (a control barrier function or CBF) to be positive in a practical sense. We ensure that for trajectories with safe initial conditions, the violation of safety can be made arbitrarily small through appropriately chosen design constants. We also guarantee an assignable “attractivity” rate: from unsafe initial conditions, the trajectories approach the safe set, in the sense of the measured CBF, at a rate no slower than a user-assigned rate. Similarly, from safe initial conditions, the trajectories approach the unsafe set, in the sense of the CBF, no faster than the assigned attractivity rate. The feature of assignable attractivity is not present in the semiglobal version of safe extremum seeking, where the semiglobality of convergence is achieved by slowing the adaptation. We also demonstrate local convergence of the parameter to a neighborhood of the minimum of a quadratic objective function constrained to the safe set with a linear CBF. The ASfES algorithm and analysis are multivariable, but we also extend the algorithm to a Newton-Based ASfES scheme which we show is only useful in the scalar case. The proven properties of the designs are illustrated through simulation examples.

42 ENGINEERING↗
NASA NTRS1958

A Flight Evaluation and Analysis of the Effect of Icing Conditions on the ZPG-2 Airship

A series of test flights was conducted by the U. S. Navy over a 3- year period to evaluate the effects of icing on the operation of the ZPG-2 airship. In supercooled. clouds, ice formed only on the forward edges of small protuberances and wires and presented no serious hazard to operation. Ice accretions of the glaze type which occurred in conditions described as freezing drizzle adversely affected various components to a somewhat greater extent. The results indicated, a need for protection of certain components such as antennas, propellers, and certain parts of the control system. The tests showed that icing of the large surface of the envelope occurred only in freezing rain or drizzle. Because of the infrequent occurrence of these conditions, the potential maximum severity could not be estimated from the test results. The increases in heaviness caused by icing in freezing rain and drizzle were substantial, but well within the operational capabilities of the airship. In order to estimate the potential operational significance of icing in freezing rain, theoretical calculations were used to estimate: (1) the rate of icing as a function of temperature and rainfall intensity, (2) the climatological probability of occurrence of various combinations of these variables, and (3) the significance of the warming influence of the ocean in alleviating freezing-rain conditions. The results of these calculations suggest that, although very heavy icing rates are possible in combinations of low temperature and high rainfall rate, the occurrence of such conditions is very infrequent in coastal areas and virtually impossible 200 or 300 miles offshore.

Lewis, Willilam↗
NASA NTRS2001

Thermal Fault Tolerance Analysis of Carbon Fiber Rope Barrier Systems for Use in the Reusable Solid Rocket Motor ( RSRM) Nozzle Joints

Carbon Fiber Rope (CFR) thermal barrier systems are being considered for use in several RSRM (Reusable Solid Rocket Motor) nozzle joints as a replacement for the current assembly gap close-out process/design. This study provides for development and test verification of analysis methods used for flow-thermal modeling of a CFR thermal barrier subject to fault conditions such as rope combustion gas blow-by and CFR splice failure. Global model development is based on a 1-D (one dimensional) transient volume filling approach where the flow conditions are calculated as a function of internal 'pipe' and porous media 'Darcy' flow correlations. Combustion gas flow rates are calculated for the CFR on a per-linear inch basis and solved simultaneously with a detailed thermal-gas dynamic model of a local region of gas blow by (or splice fault). Effects of gas compressibility, friction and heat transfer are accounted for the model. Computational Fluid Dynamic (CFD) solutions of the fault regions are used to characterize the local flow field, quantify the amount of free jet spreading and assist in the determination of impingement film coefficients on the nozzle housings. Gas to wall heat transfer is simulated by a large thermal finite element grid of the local structure. The employed numerical technique loosely couples the FE (Finite Element) solution with the gas dynamics solution of the faulted region. All free constants that appear in the governing equations are calibrated by hot fire sub-scale test. The calibrated model is used to make flight predictions using motor aft end environments and timelines. Model results indicate that CFR barrier systems provide a near 'vented joint' style of pressurization. Hypothetical fault conditions considered in this study (blow by, splice defect) are relatively benign in terms of overall heating to nozzle metal housing structures.

Clayton, J. Louie↗
NASA NTRS1972

Survey of materials for hydrazine propulsion systems in multicycle extended life applications

An assessment is presented of materials compatibility data for hydrazine monopropellant propulsion systems applicable to the Space Shuttle vehicle missions. Materials were evaluated for application over a 10-yr/100-mission operational lifetime with minimum refurbishment. A general materials compatibility rating for a broad range of materials and several propellants based primarily on static liquid propellant immersion testing and an in-depth evaluation of hydrazine decomposition as a function of purity, temperature, material, surface conditions, etc., are presented. The most promising polymeric material candidates for propellant diaphragms and seals appear to have little effect on increasing hydrazine decomposition rates, but the materials themselves do undergo changes in physical properties which can affect their 10-yr performance in multicycle applications. The available data on these physical properties of elastomeric materials as affected by exposure to hydrazine or related environments are presented.

Coulbert, C. D.↗
DOE OSTI2019

Lignin-KMC: A Toolkit for Simulating Lignin Biosynthesis

Lignin is a bountiful biopolymer of phenylpropanoid monomers that is critical for plant structure and function. Based on the abundance of lignin in the biosphere and interest in lignin valorization, a more comprehensive understanding of lignin biosynthesis is imperative. We introduce an open-source software toolkit, Lignin-KMC, that combines kinetic Monte Carlo and first-principles calculations of radical coupling events to model lignin biosynthesis in silico. Lignification is simulated using the Gillespie algorithm with rates derived from density functional theory calculations of individual fragment couplings. Using this approach, we confirm experimental findings regarding the impact of lignification conditions on the polymer structure such as (1) the positive correlation between sinapyl alcohol fraction and depolymerization yield and (2) the primarily benzodioxane linked structure of C-lignin. Furthermore, we identify the in planta monolignol supply rate as a possible control mechanism for lignin biosynthesis based on evolutionary stresses. These examples not only highlight the robustness of our modeling framework but also motivate future studies of new lignin types, unexplored monolignol chemistries, and lignin structure predictions, all with an overarching aim of developing a more comprehensive molecular understanding of native lignin, which, in turn, can accelerate the biological and chemistry communities interested in this important biopolymer.

09 BIOMASS FUELS↗
NASA NTRS1979

Charging rates of metal-dielectric structures

Metal plates partially covered by 0.01-centimeter-thick fluorinated ethylene-propylene (FEP) Teflon were charged in the Lewis Research Center's geomagnetic substorm simulation facility using 5-, 8-, 10-, and 12-kilovolt electron beams. Surface voltage as a function of time was measured for various initial conditions (Teflon discharged or precharged) with the metal plate grounded or floating. Results indicate that both the charging rates and the levels to which the samples become charged are influenced by the geometry and initial charge state of the insulating surfaces. The experiments are described and the results are presented and discussed. NASA charging analyzer program (NASCAP) models of the experiments have been generated, and the predictions obtained are described. Implications of the study results for spacecraft are discussed.

Purvis, C. K.↗