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DOE OSTI2024

Evaluation of GlassNet for physics-informed machine learning of glass stability and glass-forming ability

Glassy materials form the basis of many modern applications, including nuclear waste immobilization, touch-screen displays, and optical fibers, and also hold great potential for future medical and environmental applications. However, their structural complexity and large composition space make design and optimization challenging for certain applications. Of particular importance for glass processing and design is an estimate of a given composition's glass-forming ability (GFA). However, there remain many open questions regarding the underlying physical mechanisms of glass formation, especially in oxide glasses. It is apparent that a proxy for GFA would be highly useful in glass processing and design, but identifying such a surrogate property has proven itself to be difficult. While glass stability (GS) parameters have historically been used as a GFA surrogate, recent research has demonstrated that most of these parameters are not accurate predictors of the GFA of oxide glasses. Here, in this work, we explore the application of an open-source pre-trained neural network model, GlassNet, that can predict the characteristic temperatures necessary to compute GS with reasonable performance and assess the feasibility of using these physics-informed machine learning (PIML)-predicted GS parameters to estimate GFA. In doing so, we track the uncertainties at each step of the computation—from the original ML prediction errors to the compounding of errors during GS estimation, and finally to the final estimation of GFA. While GlassNet exhibits reasonable accuracy on all individual properties, we observe a large compounding of error in the combination of these individual predictions for the PIML prediction of GS, finding that random forest models offer similar accuracy to GlassNet. We also break down the performance of GlassNet on different glass families and find that the error in GS prediction is correlated with the error in crystallization peak temperature prediction. Lastly, we utilize this finding to assess the relationship between top-performing GS parameters and GFA for two ternary glass systems: sodium borosilicate and sodium iron phosphate glasses. We conclude that to obtain true ML predictive capability of GFA, significantly more data needs to be collected.

36 MATERIALS SCIENCE↗

NASA NTRS1973

Selection of informative parameters of vibroacoustic processes

The problem of selecting informative parameters of vibro-acoustic processes and the construction of apparatus for their determination are discussed. It is assumed that the processes being investigated are structurally uniform and either purely random or contain not very many determinative components.

Koshek, L. N.↗

NASA NTRS1984

Sensitivity analysis of limit state functions for probability-based plastic design

The evaluation of the total probability of a plastic collapse failure P sub f for a highly redundant structure of random interdependent plastic moments acted on by random interdepedent loads is a difficult and computationally very costly process. The evaluation of reasonable bounds to this probability requires the use of second moment algebra which involves man statistical parameters. A computer program which selects the best strategy for minimizing the interval between upper and lower bounds of P sub f is now in its final stage of development. The relative importance of various uncertainties involved in the computational process on the resulting bounds of P sub f, sensitivity is analyzed. Response sensitivities for both mode and system reliability of an ideal plastic portal frame are shown.

Frangopol, D. M.↗

NASA NTRS1987

Rectification of terrain induced distortions in radar imagery

This paper describes a technique to generate geocoded synthetic aperture radar (SAR) imagery corrected for terrain induced geometric distortions. This algorithm transforms the raw slant range image, generated by the signal processor, into a map registered product, resampled to either Universal Transverse Mercator (UTM) or Polar Stereographic projections, and corrected for foreshortening. The technique utilizes the space platform trajectory information in conjunction with a digital elevation map (DEM) of the target area to generate an ortho-radar map with near-autonomous operation. The current procedure requires only two to three tie-points to compensate for the platform position uncertainty that results in translational error between the image and the DEM. This approach is unique in that it does not require generation of a simulated radar image from the DEM or a grid of tie-points to characterize the image-to-map distortions. Rather, it models the inherent distortions based on knowledge of the radar data collection characteristics, the signal Doppler parameters, and the local terrain height to automatically predict the registration transformation. This algorithm has been implemented on a minicomputer system equipped with an array processor and a large random-access memory to optimize the throughput.

Kwok, Ronald↗

NASA NTRS1991

Far-field pattern of a coherently combined beam from large-scale laser diode arrays

The far-field pattern of a large-scale amplifier array (LSAA) consisting of a large number (2000) of diode laser amplifiers is numerically simulated, and the power collection efficiencies are determined. Random distributions of phase mismatches, misorientations, and element failures in the LSAA system are considered. Phase mismatches and misorientations of the element amplifiers are found to be the most critical parameters of those affecting the power-collection efficiency. Errors of 0.2 wavelength and 25 percent for phase and diffraction angle, respectively, cause a 10 percent reduction in power-collection efficiency. The results are used to evaluate the concept of space-laser power transmission. It is found that an overall transmission efficiency of 80 percent could be realized with a 5-m-diam. receiver at a distance of 10,000 km when an LSAA transmitter 6 m in diam. is aimed with state-of-the-art pointing accuracy.

Kwon, Jin H.↗

NASA NTRS1996

Implementation of Probabilistic Design Methodology at Tennessee State University

Engineering Design is one of the most important areas in engineering education. Deterministic Design Methodology (DDM) is the only design method that is taught in most engineering schools. This method does not give a direct account of uncertainties in design parameters. Hence, it is impossible to quantify the uncertainties in the response and the actual safety margin remains unknown. The desire for a design methodology tha can identify the primitive (random) variables that affect the structural behavior has led to a growing interest on Probabilistic Design Methodology (PDM). This method is gaining more recognition in industries than in educational institutions. Some of the reasons for the limited use of the PDM at the moment are that many are unaware of its potentials, and most of the software developed for PDM are very recent. The central goal of the PDM project at Tennessee State University is to introduce engineering students to the method. The students participating in the project learn about PDM and the computer codes that are available to the design engineer. The software being used of this project is NESSUS (Numerical Evaluation of Stochastic Structures Under Stress) developed under NASA probabilistic structural analysis program. NESSUS has three different modules which make it a very comprehensive computer code for PDM. A research in technology transfer through course offering in PDM is in effect a Tennessee State University. The aim is to familiarize students with the problem of uncertainties in engineering design. Included in the paper are some projects on PDM carried out by some students and faculty. The areas this method is being applied at the moment include, Design of Gears (spur and worm); Design of Shafts; Design of Statistically Indeterminate Frame Structures; Design of Helical Springs; and Design of Shock Absorbers. Some of the current results of these projects are presented.

Onwubiko, Chinyere↗

NASA NTRS1996

Fluid Physics in a Fluctuating Acceleration Environment

We summarize several aspects of an ongoing investigation of the effects that stochastic residual accelerations (g-jitter) onboard spacecraft can have on experiments conducted in a microgravity environment. The residual acceleration field is modeled as a narrow band noise, characterized by three independent parameters: intensity (g(exp 2)), dominant angular frequency Omega, and characteristic correlation time tau. Realistic values for these parameters are obtained from an analysis of acceleration data corresponding to the SL-J mission, as recorded by the SAMS instruments. We then use the model to address the random motion of a solid particle suspended in an incompressible fluid subjected to such random accelerations. As an extension, the effect of jitter on coarsening of a solid-liquid mixture is briefly discussed, and corrections to diffusion controlled coarsening evaluated. We conclude that jitter will not be significant in the experiment 'Coarsening of solid-liquid mixtures' to be conducted in microgravity. Finally, modifications to the location of onset of instability in systems driven by a random force are discussed by extending the standard reduction to the center manifold to the stochastic case. Results pertaining to time-modulated oscillatory convection are briefly discussed.

Thomson, J. Ross↗

NASA NTRS2016

Applicability of the Effective-Medium Approximation to Heterogeneous Aerosol Particles.

The effective-medium approximation (EMA) is based on the assumption that a heterogeneous particle can have a homogeneous counterpart possessing similar scattering and absorption properties. We analyze the numerical accuracy of the EMA by comparing superposition T-matrix computations for spherical aerosol particles filled with numerous randomly distributed small inclusions and Lorenz-Mie computations based on the Maxwell-Garnett mixing rule. We verify numerically that the EMA can indeed be realized for inclusion size parameters smaller than a threshold value. The threshold size parameter depends on the refractive-index contrast between the host and inclusion materials and quite often does not exceed several tenths, especially in calculations of the scattering matrix and the absorption cross section. As the inclusion size parameter approaches the threshold value, the scattering-matrix errors of the EMA start to grow with increasing the host size parameter and or the number of inclusions. We confirm, in particular, the existence of the effective-medium regime in the important case of dust aerosols with hematite or air-bubble inclusions, but then the large refractive-index contrast necessitates inclusion size parameters of the order of a few tenths. Irrespective of the highly restricted conditions of applicability of the EMA, our results provide further evidence that the effective-medium regime must be a direct corollary of the macroscopic Maxwell equations under specific assumptions.

aerosols↗

NASA NTRS2023

Polar Firn Properties in Greenland and Antarctica and Related Effects on Microwave Brightness Temperatures

In studying the mass balance of polar ice sheets, fluctuations of firn density near the surface is a major uncertainty. In this paper, we explore these variations at locations in the Greenland Ice Sheet and at the Dome C location in Antarctica. Borehole in situ measurements, Snow Radar echoes, microwave brightness temperatures, and modelling results from the Community firn model (CFM) are used. It is shown that firn density profiles can be represented using 3 processes: “long” and “short” length scale density variations and “refrozen layers”. Consistency with this description is observed in the dynamic range of airborne 0.5-2 GHz brightness temperatures and Snow Radar echo peaks in measurements performed in Greenland in 2017. Based on these insights, a new analytical partially coherent model is implemented to explain the microwave brightness temperatures using the three scale description of the firn. Short and long scale firn processes are modelled as a 3D continuous random medium with finite vertical and horizontal correlation lengths as opposed to past 1D random layered medium descriptions. Refrozen layers are described as deterministic sheets with planar interfaces, with the number of refrozen layer interfaces determined by radar observations. Firn density and correlation length parameters used in forward modelling to match measured 0.5-2 GHz brightness temperatures in Greenland show consistency with similar parameters in CFM predictions. Model predictions also are in good agreement with multi-angle 1.4 GHz vertically and horizontally polarized brightness temperature measured by the SMOS satellite at DOME C, Antarctica. This work shows that co-located active and passive microwave measurements can be used to infer polar firn properties that can be compared with predictions of the CFM. In particular, 0.5-2 GHz brightness temperature measurements are shown to be sensitive to long scale firn density fluctuations with density standard deviations in the range 0.01-0.06 g/cm^3 and vertical correlation lengths of 6-20 cm.

Haokui Xu↗

NASA NTRS1978

Alterations in erythrocyte survival parameters in rats after 19.5 days aboard Cosmos 782

Rats were subjected to 19.5 days of weightless space flight aboard the Soviet biosatellite, Cosmos 782. Based on the output of CO-14, survival parameters of a cohort of erythrocytes labeled 15.5 days preflight were evaluated upon return from orbit. These were compared to vivarium control rats injected at the same time. Statistical evaluation indicates that all survival factors were altered by the space flight. The mean potential lifespan, which was 63.0 days in the control rats, was decreased to 59.0 days in the flight rats, and random hemolysis was increased three-fold in the flight rats. The measured size of the cohort was decreased, lending further support to the idea that hemolysis was accelerated during some portion of the flight. A number of factors that might be contributory to these changes are discussed, including forces associated with launch and reentry, atmospheric and environmental parameters, dietary factors, radiation, and weightlessness.

Leon, H. A.↗

NASA NTRSDate not supplied

Adding GPU Support to the Markov Chain Monte Carlo Code Catmip

In geophysics, we are confronted with many under-determined inverse problems. For example, all of our observations of earthquakes are made at the Earth’s surface. So, when we try to infer how slip during an earthquake evolves in space and time, we find that there are many potential slip histories that are consistent with our limited observations and our understanding of earthquake physics. One way to approach these problems is with Bayesian analysis which allows us to infer the ensemble of all potential slip models that satisfy the observations and our prior knowledge of earthquake physics. In Bayesian analysis, our prior knowledge is known as the prior probability density function or prior PDF, the fit to the data is known as the data likelihood, and the target PDF that satisfies both the prior PDF and data likelihood is known as the posterior PDF. However, simulating the posterior PDF typically requires using Markov Chain Monte Carlo (MCMC) to draw tens of billions of random realizations of earthquake slip models, which may not be computationally feasible. To make this and similar geophysical inversions computationally tractable, we developed the Cascading Adaptive Transitional Metropolis In Parallel (CATMIP) algorithm. CATMIP is an efficient parallel Markov Chain Monte Carlo (MCMC) sampler that is used for model fitting and uncertainty quantification in geophysics. Example use cases are earthquake rupture modeling, determining mineral composition on Mars, reconstructing the history of ocean salinity, and historical earthquake relocation. CATMIP employs many parallel instances of the Metropolis algorithm for sampling in a transitioning framework. Transitioning is a process in which a set of random samples at equilibrium with a known probability density function (PDF) are used as seeds for the Markov chains to sample successive target PDFs that incrementally move the distribution from the starting seeds to the final desired PDF that describes the relative plausibility of potential values for the model parameters. The algorithm is implemented as a Master-Worker model employing MPI for communication. The worker processes are loosely coupled with global parameters periodically optimized by the master process. This provides a very high amount of parallelism with little communication between updates. During the presentation we will discuss the history of the algorithm and elaborate the earthquake rupture modeling use case for the CATMIP package. Our first step toward GPU optimization was to optimize the code for the CPU. CPU profiling revealed that most of the compute time is spent in calls to level 2 BLAS routines and calls to GSL random number generators. We revised the algorithm to employ level 3 BLAS routines instead. In our presentation we will describe how this was accomplished. Adding GPU support to CATMIP consisted mostly of replacing the calls to GSL with calls to GPU vendor-provided library routines. A small number of loops were directly implemented in CUDA. In the presentation will provide implementation details. Finally, we will discuss methods for profiling and opportunities for further optimizing GPU execution. By creating a code with the flexibility to run on either a CPU or GPU architecture, CATMIP can be used on systems ranging from large CPU-based HPC environments to single servers with GPU acceleration and everything in between.

HECC↗

DOE OSTI2024

A Machine Learning Approach to Quantitative Analysis of Enamel Microstructure from Scanning Electron Microscopy Images

Dental enamel, the outermost tissue of mammalian teeth, must withstand a lifetime of wear and cyclic contact. To meet this demand, enamel possesses a combination of high hardness and resistance to fracture, properties that are typically mutually exclusive. The impressive damage tolerance has been attributed largely to decussation of the enamel rods, the principal unit of its microstructure. As such, enamel is inspiring the design of next‐generation structural materials. However, quantitative descriptions of the decussated enamel rod microstructure remain limited due to challenges encountered in applying computed tomography and in acquiring quality images appropriate for traditional digital processing methods. Here, a machine learning segmentation method is applied to images of the enamel obtained using scanning electron microscopy to support quantitative analysis of the microstructure. A pretrained convolutional neural network is used to expand the input training image dataset to allow the training of a random forest classifier, which ultimately segments the image with a very small training set ( n = 3 images). A validation of this segmentation method is presented, in addition to its application to calculate relevant microstructural parameters for images of tooth enamel from selected mammalian species. The methodology applied here is equally applicable to other hard tissues.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Hovering model helicopter rotor testing

A relatively large test chamber, chosen to minimize room interference effects during helicopter hovering rotor tests, was found in initial operations to exhibit large, random variations of thrust, torque, and blade flapping. The source of these problems, unsteady recirculation of test chamber flow, was addressed by the addition of a 'flow straightener' that reduced these parameter variations to 1.5 percent of mean values. Rotor performance was then measured outside the chamber in calm, free air conditions and compared with chamber results obtained before and after modifications. Attention is given to wake flow visualization conducted in the test chamber, as well as outside.

Piziali, R. A.↗

NASA NTRS1992

Polarimetric emission from anisotropic media for passive remote sensing of sea ice

The polarimetric emission from an anisotropic medium with applications to the passive microwave remote sensing of sea ice is investigated. Based on the fluctuation-dissipation theory, the Stokes vector is obtained for the thermally exicted electromagnetic radiation from an anisotropic object. By modeling sea ice as a layered anisotropic medium, the Stokes vector representing the polarimetric emission is illustrated for various geophysical conditions. It is found that the difference in the brightness temperatures measured at two surface temperatures is correlated with the thickness of the sea ice. For cases where the c-axis of sea ice is aligned or not random in the horizontal plane, the calculated brightness temperatures show a periodic variation when plotted as a function of the azimuthal angle of the observation direction, indicating that the polarimetric Stokes parameters can be used to detect the direction of c-axes in sea ice.

Yueh, S. H.↗

NASA NTRS2018

Environmental Testing of the HERMeS TDU-2 Hall Thruster

The Hall Effect Rocket with Magnetic Shielding (HERMeS) is a 12.5 kW magnetically shielded Hall thruster presently under development for deep-space missions. A development model HERMeS thruster, TDU-2, with borosilicate channel walls, has successfully undergone proto-qualification testing including random vibration and thermal-vacuum, demonstrating the thruster can survive critical launch and operational environmental requirements. The three-axis random vibrational tests were performed with the thruster body mounted directly to the shaker table using a modified loading schedule to compensate for the vibration isolation dampers under design for the flight thruster. Initial random vibration testing revealed issues with fragmentation of magnetic coil potting material and thruster spool mount fabrication weaknesses that were addressed with an alternate potting material and fabrication revisions that were then successfully retested with an additional round of random vibration tests. Thermal-vacuum testing involved three cycles of full-power 600 V 12.5 kW thruster operation from -121°C to +373°C which included eight hours at peak temperature as well as a hot restart. A thermal model of the test configuration was developed and validated with the experiment results within an average difference of 5°C. Before and after the random vibrational and thermal-vacuum tests, the thruster performance, plasma plume, thrust vector angle, discharge characteristics, and magnetic field profile were measured. The thruster performance, magnetic field, and most other parameters remained invariant throughout the environmental testing campaign. During the thermal testing, an increase in the discharge oscillation amplitude of 11% was observed as well as subtle thrust vector changes of ±0.2° as the thruster warmed from -121°C to +373°C.

Sorenson, Ryan↗

NASA NTRS2017

The Potential Impact of Satellite-Retrieved Cloud Parameters on Ground-Level PM2.5 Mass and Composition

Satellite-retrieved aerosol optical properties have been extensively used to estimate ground-level fine particulate matter (PM2.5) concentrations in support of air pollution health effects research and air quality assessment at the urban to global scales. However, a large proportion, approximately 70%, of satellite observations of aerosols are missing as a result of cloud-cover, surface brightness, and snow-cover. The resulting PM2.5 estimates could therefore be biased due to this non-random data missingness. Cloud-cover in particular has the potential to impact ground-level PM2.5 concentrations through complex chemical and physical processes. We developed a series of statistical models using the Multi-Angle Implementation of Atmospheric Correction (MAIAC) aerosol product at 1 km resolution with information from the MODIS cloud product and meteorological information to investigate the extent to which cloud parameters and associated meteorological conditions impact ground-level aerosols at two urban sites in the US: Atlanta and San Francisco. We find that changes in temperature, wind speed, relative humidity, planetary boundary layer height, convective available potential energy, precipitation, cloud effective radius, cloud optical depth, and cloud emissivity are associated with changes in PM2.5 concentration and composition, and the changes differ by overpass time and cloud phase as well as between the San Francisco and Atlanta sites. A case-study at the San Francisco site confirmed that accounting for cloud-cover and associated meteorological conditions could substantially alter the spatial distribution of monthly ground-level PM2.5 concentrations.

MAIAC AO↗

NASA NTRS2002

Dynamics of Quantum Adiabatic Evolution Algorithm for Number Partitioning

We have developed a general technique to study the dynamics of the quantum adiabatic evolution algorithm applied to random combinatorial optimization problems in the asymptotic limit of large problem size n. We use as an example the NP-complete Number Partitioning problem and map the algorithm dynamics to that of an auxiliary quantum spin glass system with the slowly varying Hamiltonian. We use a Green function method to obtain the adiabatic eigenstates and the minimum exitation gap, gmin = O(n2(sup -n/2)), corresponding to the exponential complexity of the algorithm for Number Partitioning. The key element of the analysis is the conditional energy distribution computed for the set of all spin configurations generated from a given (ancestor) configuration by simultaneous flipping of a fixed number of spins. For the problem in question this distribution is shown to depend on the ancestor spin configuration only via a certain parameter related to the energy of the configuration. As the result, the algorithm dynamics can be described in terms of one-dimensional quantum diffusion in the energy space. This effect provides a general limitation of a quantum adiabatic computation in random optimization problems. Analytical results are in agreement with the numerical simulation of the algorithm.

Smelyanskiy, Vadius↗

NASA NTRS2002

Dynamics of Quantum Adiabatic Evolution Algorithm for Number Partitioning

We have developed a general technique to study the dynamics of the quantum adiabatic evolution algorithm applied to random combinatorial optimization problems in the asymptotic limit of large problem size n. We use as an example the NP-complete Number Partitioning problem and map the algorithm dynamics to that of an auxiliary quantum spin glass system with the slowly varying Hamiltonian. We use a Green function method to obtain the adiabatic eigenstates and the minimum excitation gap. g min, = O(n 2(exp -n/2), corresponding to the exponential complexity of the algorithm for Number Partitioning. The key element of the analysis is the conditional energy distribution computed for the set of all spin configurations generated from a given (ancestor) configuration by simultaneous flipping of a fixed number of spins. For the problem in question this distribution is shown to depend on the ancestor spin configuration only via a certain parameter related to 'the energy of the configuration. As the result, the algorithm dynamics can be described in terms of one-dimensional quantum diffusion in the energy space. This effect provides a general limitation of a quantum adiabatic computation in random optimization problems. Analytical results are in agreement with the numerical simulation of the algorithm.

Smelyanskiy, V. N.↗