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NASA NTRS2019

AladynPi – Adaptive Neural Network Molecular Dynamics Simulation Code with Physically Informed Potential: Computational Materials Mini-Application

This report provides an overview and description of commands used in the Computational Materials mini-application, AladynPi. AladynPi is an extension of a previously released mini-application, Aladyn (https://github.com/nasa/aladyn; Yamakov, V.I., and Glaessgen, E.H., NASA/TM-2018-220104). Aladyn and AladynPi are basic molecular dynamics codes written in FORTRAN 2003, which are designed to demonstrate the use of adaptive neural networks (ANNs) in atomistic simulations. The role of ANNs is to efficiently reproduce the very complex energy landscape resulting from the atomic interactions in materials with the accuracy of the more expensive quantum mechanics-based calculations. The ANN is trained on a large set of atomic structures calculated using the density functional theory method. An input for the ANN is a set of structure coefficients, characterizing the local atomic environment of each atom, for which the atomic energy is obtained in the ANN inference process. In Aladyn, the ANN gives directly the energy of interatomic interactions. In AladynPi, the ANN gives optimized parameters for a predefined empirical function, known as bond-order-potential (BOP). The parameterized BOP function is then used to calculate the energy. AladynPi code is being released to serve as a training testbed for students and professors in academia to explore possible optimization algorithms for parallel computing on multicore central processing unit (CPU) computers or computers utilizing manycore architectures based on graphic processing units (GPUs). The effort is supported by the High Performance Computing incubator (HPCi) project at NASA Langley Research Center.

Yamakov, Vesselin I.↗

NASA NTRSDate not supplied

Trajectory Optimization Methods and Applications at NASA Goddard

The process of spacecraft trajectory design frequently incorporates an optimization step in which one or more objectives, such as propellant consumption or time of flight, is minimized. Optimization is especially crucial for low-thrust mission design, due to the need to specify a thrust vector at every instant in time along a trajectory. At NASA's Goddard Space Flight Center (GSFC) a number of open-source tools have been developed for spacecraft trajectory optimization that utilize direct shooting and collocation methods. These tools have been effectively applied to cislunar, libration point, and interplanetary mission design for the Lunar IceCube, SWFO, and DAVINCI missions, among others. This presentation outlines the theory underlying these optimization tools along with the details of their application to several trajectory design problems, with a focus on the Lunar IceCube (LIC) mission. The LIC mission required a low-thrust trajectory from a high-energy deployment state to a lunar orbit, and its limited control authority necessitated the use of optimization tools and low-energy trajectory design techniques. The tools discussed demonstrate how the use of optimization methods expands mission capabilities and enables transformational science.

Robert Pritchett↗

NASA NTRS1989

A high efficiency motor/generator for magnetically suspended flywheel energy storage system

The authors discuss the theory and design of a brushless direct current motor for use in a flywheel energy storage system. The motor design is optimized for a nominal 4.5-in outside diameter operating within a speed range of 33,000-66,000 revolutions per minute with a 140-V maximum supply voltage. The equations which govern the motor's operation are used to compute a series of acceptable design parameter combinations for ideal operation. Engineering tradeoffs are then performed to minimize the irrecoverable energy loss while remaining within the design constraint boundaries. A final integrated structural design whose features allow it to be incorporated with the 500-Wh magnetically suspended flywheel is presented.

Niemeyer, W. L.↗

NASA NTRS1991

Theoretical and experimental analysis of injection seeding a Q-switched alexandrite laser

Injection seeding is a method for achieving linewidths of less than 500 MHz in the output of broadband, tunable, solid state lasers. Dye lasers, CW and pulsed diode lasers, and other solid state lasers have been used as injection seeders. By optimizing the fundamental laser parameters of pump energy, Q-switched pulse build-up time, injection seed power and mode matching, one can achieve significant improvements in the spectral purity of the Q-switched output. These parameters are incorporated into a simple model for analyzing spectral purity and pulse build-up processes in a Q-switched, injection-seeded laser. Experiments to optimize the relevant parameters of an alexandrite laser show good agreement.

Prasad, C. R.↗

NASA NTRS1995

Methodologies to determine forces on bones and muscles of body segments during exercise, employing compact sensors suitable for use in crowded space vehicles

Work under this grant was carried out by the author and by a graduate research assistant. An instrumented bicycle ergometer was implemented focusing on the stated objective: to estimate the forces exerted by each muscle of the feet, calf, and thigh of an individual while bicycling. The sensors used were light and compact. These were probes to measure muscle EMG activity, miniature accelerometers, miniature load sensors, and small encoders to measure angular positions of the pedal. A methodology was developed and implemented to completely describe the kinematics of the limbs using data from the sensors. This work has been published as a Master's Thesis by the Graduate student supported by the grant. The instrumented ergometer along with the sensors and instrumentation were tested during a KC-135 Zero-Gravity flight in July, 1994. A complete description of the system and the tests performed have been published as a report submitted to NASA Johnson Space Center. The data collected during the KC-135 flight is currently being processed so that a kinematic description of the bicycling experiment will be soon determined. A methodology to estimate the muscle forces has been formulated based on previous work. The methodology involves the use of optimization concepts so that the individual muscle forces that represent variables in dynamic equations of motion may be estimated. Optimization of a criteria (goal) function such as minimization of energy will be used along with constraint equations defined by rigid body equations of motion. Use of optimization principles is necessary, because the equations of motion alone constitute an indeterminate system of equations with respect to the large amount of muscle forces which constitute the variables in these equations. The number of variables is reduced somewhat by using forces measured by the load cells installed on the pedal. These load cells measure pressure and shear forces on the foot. The author and his collaborators at NASA and at the University of Alabama, Tuscaloosa, are continuing the work of reducing the experimental data from the KC-135 flight, and the implementation of the optimization methods to estimate muscle forces. As soon as results from these efforts are available, they will be published in reputable journals. Results of this work will impact studies addressing bone density loss and development of countermeasures to minimize bone loss in zero gravity conditions. By analyzing muscle forces on Earth and in Space during exercise, scientists could eventually formulate new exercises and machines to help maintain bone density. On Earth, this work will impact studies concerning arthritis, and will provide the means to study possible exercise countermeasures to minimize arthritis problems.

Figueroa, Fernando↗

NASA NTRS2007

Distribution of Micronuclei in Human Fibroblasts across the Bragg Curve of Light and Heavy Ions

The space environment consists of energetic particles of varying mass and energy, and understanding the :biological Bragg curve" is essential in optimizing shielding effectiveness against space radiation induced biological impacts. The "biological Bragg curve" is dependent on the energy and the type of the primary particle, and may vary for different biological endpoints. Previously, we studied the induction of micronuclei (MN) across the Bragg curve of energetic Fe and Si ions, and observed no increased yield of MN at the location of the Bragg peak. However, the ratio of mono- to bi-nucleated cells, which indicates inhibition of cell progression, was found higher at the Bragg peak location in comparison to the plateau region of the Bragg curve. Here, we report the induction of MN in normal human fibroblast cells across the Bragg curve of incident protons generated at Loma Linda University. Similar to Si and Fe ions, the ratio of mono- to bi-nucleated cells showed a clear spike as the protons reached the Bragg peak. Unlike the two heavy ions, however, the MN yield also increased at the Bragg peak location. These results confirm the hypothesis that severely damaged cells at the Bragg peak of heavy, but not light ions are more likely to go through reproductive death and not be evaluated for micronuclei.

Hada, M.↗

NASA NTRS1982

Multidimensional Programming Methods for Energy Facility Siting: Alternative Approaches

The use of multidimensional optimization methods in solving power plant siting problems, which are characterized by several conflicting, noncommensurable objectives is addressed. After a discussion of data requirements and exclusionary site screening methods for bounding the decision space, classes of multiobjective and goal programming models are discussed in the context of finite site selection. Advantages and limitations of these approaches are highlighted and the linkage of multidimensional methods with the subjective, behavioral components of the power plant siting process is emphasized.

Solomon, B. D.↗

NASA NTRS1987

Implementation of optimal trajectory control of series resonant converter

Due to the presence of a high-frequency LC tank circuit, the dynamics of a resonant converter are unpredictable. There is often a large surge of tank energy during transients. Using state-plane analysis technique, an optimal trajectory control utilizing the desired solution trajectory as the control law was previously proposed for the series resonant converters. The method predicts the fastest response possible with minimum energy surge in the resonant tank. The principle of the control and its experimental implementation are described here. The dynamics of the converter are shown to be close to time-optimal.

Oruganti, Ramesh↗

NASA NTRS1975

Optimization of duct acoustic liners of finite length

Lining design procedures generally ignore the effects of discontinuous impedance changes on reflection and modal redistribution of incident energy. The present study involves identification of the mechanisms of optimal suppression by segmented liners, including impedance discontinuity effects. The mathematical model involves rectangular ducts in the absence of mean flow. Segmented acoustic fields are represented by duct eigenfunction expansions, and mode matching is used to ensure continuity of the total field. Extensive parameter studies were used to identify attenuation mechanisms and to define preliminary liner configurations. These are used as starting values in conjugate-gradient optimization studies. Optimal segmented liners are presented and it is shown that, if the sound source is sufficiently well-defined, conventional infinite duct optimum attenuation rates can be improved upon by taking advantage of wall impedance discontinuities. Finally, follow-on work which will involve experimental verification and extension to the case with mean flow in the duct is described.

Beckemeyer, R. J.↗

NASA NTRS1986

Ground-based very high energy gamma ray astronomy: Observational highlights

It is now more than 20 years since the first ground based gamma ray experiments involving atmospheric Cerenkov radiation were undertaken. The present highlights in observational ground-based very high energy (VHE) gamma ray astronomy and the optimism about an interesting future for the field follow progress in these areas: (1) the detection at increased levels of confidence of an enlarged number of sources so that at present claims were made for the detection, at the 4 to 5 sd level of significance, of 8 point sources; (2) the replication of the claimed detections with, for the first time, confirmation of the nature and detail of the emission; and (3) the extension of gamma ray astronomy to the ultra high energy (UHE) domain. The pattern, if any, to emerge from the list of sources claimed so far is that X-ray binary sources appear to be copious emitters of gamma rays over at least 4 decades of energy. These X-ray sources which behave as VHE and UHE gamma ray emitters are examined.

Turver, K. E.↗

NASA NTRS1998

C2 Fragmentation Energy of C60 Revisited: Theory Disagrees with Most Experiments

Following our earlier work on the subject, we have carried out density functional theory (DFT) and second-order Moller-Plesset perturbation theory (MP2) calculations of the dissociation energy of the reaction C60 yields C58 + C2 using polarized basis sets and geometries optimized with DFT methods. The present theoretical results support an electronic fragmentation energy D(sub e) around 10-11 eV in disagreement with most experimental results that place the dissociation energy D(sub o) (including zero point energy) around 7-8 eV. The plausible errors remaining in the theoretical calculations are unlikely to account for this big difference (2-4 eV).

Boese, A. Daniel↗

NASA NTRS2011

NASA's GreenLab Research Facility: A Guide for a Self-Sustainable Renewable Energy Ecosystem

There is a large gap between the production and demand for energy from alternative fuel and alternative renewable energy sources. The sustainability of humanity, as we know it, directly depends on the ability to secure affordable fuel, food, and freshwater. NASA Glenn Research Center (Glenn) has initiated a laboratory pilot study on using biofuels as viable alternative fuel resources for the field of aviation, as well as utilizing wind and solar technology as alternative renewable energy resources. The GreenLab Research Facility focuses on optimizing biomass feedstock using algae and halophytes as the next generation of renewable aviation fuels. The unique approach in this facility helps achieve optimal biomass feedstock through climatic adaptation of balanced ecosystems that do not use freshwater, compete with food crops, or use arable land. In addition, the GreenLab Research Facility is powered, in part, by alternative and renewable energy sources, reducing the major environmental impact of present electricity sources. The ultimate goal is to have a 100 percent clean energy laboratory that, when combined with biomass feedstock research, has the framework in place for a self-sustainable renewable energy ecosystem that can be duplicated anywhere in the world and can potentially be used to mitigate the shortage of food, fuel, and water. This paper describes the GreenLab Research Facility at Glenn and its power and energy sources, and provides recommendations for worldwide expansion and adoption of the facility s concept.

Bomani, B. M. McDowell↗

NASA NTRS1994

Developments and applications of dynamic models for large eddy simulation of complex flows

The dynamic modeling procedure for large eddy simulation of turbulent flows is reviewed and recent developments in the theoretical aspects and applications are described. Methods for inclusion of backscatter of energy from small to large scale motions are presented. New formulations of the dynamic procedure are proposed which are optimized based on the subgrid scale flux vector or the energy dissipation rate instead of the subgrid scale stress tensor. Recent results from application of the model to forced isotropic turbulence with an inertial subrange, flow over a backward facing step at Reynolds number of 28000, and flow over a concave curved surface are presented.

Moin, P.↗

NASA NTRS1991

Nondimensional forms for singular perturbation analyses of aircraft energy climbs

This paper proposes a systematic approach for identifying the perturbation parameter in singular perturbation analysis of aircraft optimal guidance, and in particular considers a family of problems related to aircraft energy climbs. The approach, which is based on a nondimensionalization of the equations of motion, is used to evaluatae the appropriateness of forced singular perturbation formulations used in the past for transport and fighter aircraft, and to assess the applicability of energy state approximations and singular perturbation analysis for airbreathing transatmospheric vehicles with hypersonic cruise and orbital capabilities.

Calise, A. J.↗

NASA NTRS1986

Combustion characteristics in the transition region of liquid fuel sprays

A number of important effects have been observed in the droplet size transition region in spray combustion systems. In this region, where the mechanism of flame propagation is transformed from diffusive to premixed dominated combustion, the following effects have been observed: (1) maxima in burning velocity; (2) extension of flammability limits; (3) minima in ignition energy; and (4) minima in NOx formation. A monodisperse aerosol generator has been used to form and deliver a well controlled liquid fuel spray to the combustion test section where measurements of ignition energy have been made. The ignition studies were performed on monodisperse n-heptane sprays at atmospheric pressure over a range of equivalence ratios and droplet diameters. A capacitive discharge spark ignition system was used as the ignition source, providing independent control of spark energy and duration. Preliminary measurements were made to optimize spark duration and spark gap, optimum conditions being those at which the maximum frequency or probability of ignition was observed. Using the optimum electrode spacing and spark duration, the frequency of ignition was determined as a function of spark energy for three overall equivalence ratios (0.6, 0.8, and 1.0) and for initial droplet diameters of 25, 40, 50, 60, and 70 micro m.

Cernansky, N. P.↗

NASA NTRS1985

Ignition characteristics of rich n-heptane fuel sprays in the transition region

Ignition studies were performed on monodisperse n-heptane sprays at atmospheric pressure over a range of equivalence ratios and droplet diameters. A capacitive discharge spark ignition system was used as the ignition source, providing independent control of spark energy and duration. Preliminary measurements were made to optimize spark duration and spark gap, optimum conditions being those at which the maximum frequency or probability of ignition was observed. Using the optimum electrode spacing and spark duration, the frequency of ignition was determined as a function of spark energy for three overall equivalence ratios (0.6, 0.8, and 1.0) and for initial droplet diameters of 25, 40, 50, 60, and 70 microns. An LDA system was used to determine the actual equivalence ratio at the spark gap, which varied from 1.5 to 4.7. The spark energy at which the frequency of ignition was 90 percent was defined as the minimum ignition energy. These data indicated that the ignitability of the sprays was enhanced as the equivalence ratio was increased, but was diminished as the droplet size was increased. The increase in minimum ignition energy with increasing droplet size and fixed equivalence ratio was nearly linear over the range of parameters studied. However, the effect became smaller with increasing equivalence ratio.

Danis, A. M.↗

NASA NTRS2024

Quantifying Caloric Expenditure During Zero-G Exercise

BACKGROUND: Exercise is a fundamental component of maintaining astronaut health on long-duration space missions, where the microgravity environment poses unique challenges to physiological homeostasis. Accurate quantification of energy expenditure during such exercises is crucial for optimizing nutritional and physical health strategies for spacefarers. OBJECTIVE: This study aims to develop a comprehensive model to estimate caloric expenditure during exercise in a microgravity environment, employing a combination of spirometry, heart rate data, and other relevant parameters. By assessing energy utilization under these conditions, we seek to facilitate enhanced health management protocols for astronauts in space. METHODS & OUTCOMES: A multivariate predictive model will be constructed, utilizing spirometry and heart rate data, coupled with additional physiological and environmental parameters. A systematic approach will be applied to analyze the relationship between these variables and energy expenditure during various exercises. The proposed model will subsequently undergo rigorous validation to ensure accuracy and reliability. This research is expected to yield a precise and reliable predictive model, contributing to improved strategies for exercise prescription and nutritional intake, addressing the unique challenges presented by microgravity environments. We anticipate that our findings will support the development of more effective health maintenance protocols for astronauts during extended space missions, mitigating the adverse effects of space travel on the human body. SIGNIFICANCE: The development of an accurate and adaptable model to quantify caloric expenditure during exercise in space represents a pivotal advancement in space medicine. The insights gained from this study have the potential to inform the design of enhanced health and wellness strategies, ensuring the well-being and operational effectiveness of astronauts in long-duration space missions.

Calorie↗

NASA NTRS2011

OLTARIS: An Efficient Web-Based Tool for Analyzing Materials Exposed to Space Radiation

The near-Earth space radiation environment includes energetic galactic cosmic rays (GCR), high intensity proton and electron belts, and the potential for solar particle events (SPE). These sources may penetrate shielding materials and deposit significant energy in sensitive electronic devices on board spacecraft and satellites. Material and design optimization methods may be used to reduce the exposure and extend the operational lifetime of individual components and systems. Since laboratory experiments are expensive and may not cover the range of particles and energies relevant for space applications, such optimization may be done computationally with efficient algorithms that include the various constraints placed on the component, system, or mission. In the present work, the web-based tool OLTARIS (On-Line Tool for the Assessment of Radiation in Space) is presented, and the applicability of the tool for rapidly analyzing exposure levels within either complicated shielding geometries or user-defined material slabs exposed to space radiation is demonstrated. An example approach for material optimization is also presented. Slabs of various advanced multifunctional materials are defined and exposed to several space radiation environments. The materials and thicknesses defining each layer in the slab are then systematically adjusted to arrive at an optimal slab configuration.

Slaba, Tony↗