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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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24 records · Page 2

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DOE OSTI2024

Machine Learning-Driven Quantification of CO2 Plume Dynamics at Illinois Basin Decatur Project Sites Using Microseismic Data

This study utilizes machine learning to quantify CO2 plume extents by analyzing microseismic data from the Illinois Basin Decatur Project (IBDP). Leveraging a unique dataset of well logs, microseismic records, and CO2 injection metrics, this work aims to predict the temporal evolution of subsurface CO2 saturation plumes. The findings illustrate that machine learning can predict plume dynamics, revealing vertical clustering of microseismic events over distinct time periods within certain proximities to the injection well, consistent with an invasion percolation model. The buoyant CO2 plume partially trapped within sandstone intervals periodically breaches localized barriers or baffles, which act as leaky seals and impede vertical migration until buoyancy overcomes gravity and capillary forces, leading to breakthroughs along vertical zones of weakness. Between different unsupervised clustering techniques, K-Means and DBSCAN were applied and analyzed in detail, where K-means outperformed DBSCAN in this specific study by indicating the combination of the highest Silhouette Score and the lowest Davies–Bouldin Index. The predictive capability of machine learning models in quantifying CO2 saturation plume extension is significant for real-time monitoring and management of CO2 sequestration sites. The models exhibit high accuracy, validated against physical models and injection data from the IBDP, reinforcing the viability of CO2 geological sequestration as a climate change mitigation strategy and enhancing advanced tools for safe management of these operations.

Iyegbekedo, Ikponmwosa↗

NASA NTRS1983

Tunable diode laser optogalvanic spectroscopy of molecules

The laser optogalvanic (LOG) technique for studying molecular spectra has been extended for the first time to the infrared wavelength region. Portions of the NH3 nu-2 band at 9.5 microns and the NO2 nu-3 band at 6.2 microns have been recorded at Doppler-limited resolution using CW tunable diode lasers to probe dc electrical discharges in pure NH3 and an NO2/He gas mixture. Using adjustable electrode positions and an orthogonal geometry between the probe laser and the discharge axis, two contributions to the optogalvanic signal are identified: one which corresponds to an increase in discharge impedance and is seen only for irradiation of the negative glow region; and a second which corresponds to a decrease in discharge impedance and is seen for irradiation of all other discharge regions.

Webster, C. R.↗

NASA NTRS1987

Bow-tie antennas on a dielectric half-space - Theory and experiment

A new formulation is discussed for the rigous calculation of the radiation pattern of a bow-tie antenna of finite length and infinitesimal thickness, placed on a lossless dielectric substrate. The analysis is based on a representation of the current density on the metal surface of the antenna as a sum of an imposed (quasistatic) term and a set of current modes with unknown amplitudes. Free-space fields that are expressed in terms of continuous spectra of symmetrized plane waves are matched to the current modes using the method of moments. The resulting set of equations are solved for the unknown current amplitudes. The calculations show that for increasing bow length the antenna impedance spirals rapidly to a value predicted by transmission line theory. The theory also shows that the E-plane pattern of a two-wavelength, 60-deg bow-tie antenna is dominated by low-loss current modes propagating at the dielectric wavenumber. As the bow tie narrows, the loss of the modes increases, and the dominant wavenumber tends to the quasi-static value. Pattern measurements made at 94 GHz are shown to agree well with theoretical predictions. Measurements for a long-wire antenna, a linear array of bow-tie elements, and a log-periodic antenna are also presented.

Compton, Richard C.↗

NASA NTRS2001

Better, Cheaper, Faster Molecular Dynamics

Recent, revolutionary progress in genomics and structural, molecular and cellular biology has created new opportunities for molecular-level computer simulations of biological systems by providing vast amounts of data that require interpretation. These opportunities are further enhanced by the increasing availability of massively parallel computers. For many problems, the method of choice is classical molecular dynamics (iterative solving of Newton's equations of motion). It focuses on two main objectives. One is to calculate the relative stability of different states of the system. A typical problem that has' such an objective is computer-aided drug design. Another common objective is to describe evolution of the system towards a low energy (possibly the global minimum energy), "native" state. Perhaps the best example of such a problem is protein folding. Both types of problems share the same difficulty. Often, different states of the system are separated by high energy barriers, which implies that transitions between these states are rare events. This, in turn, can greatly impede exploration of phase space. In some instances this can lead to "quasi non-ergodicity", whereby a part of phase space is inaccessible on time scales of the simulation. To overcome this difficulty and to extend molecular dynamics to "biological" time scales (millisecond or longer) new physical formulations and new algorithmic developments are required. To be efficient they should account for natural limitations of multi-processor computer architecture. I will present work along these lines done in my group. In particular, I will focus on a new approach to calculating the free energies (stability) of different states and to overcoming "the curse of rare events". I will also discuss algorithmic improvements to multiple time step methods and to the treatment of slowly decaying, log-ranged, electrostatic effects.

Pohorille, Andrew↗

DOE OSTI2022

Pitting Propagation Behavior on Low Alloy AISI 4130 (UNS G41300) Steel Exposed to Various Alkali and Alkaline Earth Metal Chlorides

Pit propagation studies were conducted to elucidate whether alkali and alkali earth metal cations such as Na+ and Rb+ present in the form of metal chloride salts such as RbCl affect pitting behavior in distinctly different manner than NaCl. Pit propagation studies were conducted on a low alloy steel using one-dimensional (1-D) pit method over pit depths from 300-1000 µm. LSV and EIS of planar electrodes of 4130 in a range of Cl- solutions were conducted and revealed no detected differences in impedance, open circuit, corrosion potential (Ecorr), passive current density (ipass), and pitting potential (Epit) as a function of salt type. In the case of one-dimensional pits during fast downward scan rates, the saturation potential (Esat) varied as a function of cation identity when pit depths were shallow. Mass transported limited current density also differed with cations in shallow pits when various alkali metal and alkaline metal cations were present. The limiting current density was increased for RbCl relative to NaCl The pit surface potential (Esurf) of activated pit surfaces reached Ecorr prior to establishing a condition where the pit electrolyte surface concentration (Csurf) was less than the critical concentration for active acidified pitting (i.e. Csurf<Ccrit) in this marginally passivating steel. For various Esurf and pit current density (ipit) combinations at constant Csurf where Ccrit< Csurf < Csat, E-log(i) plots were constructed using the method of Tianshu to create IR ohmic voltage corrected Tafel plots for various fixed pit solution concentrations. Under these conditions, the influence of cation identity on charge transfer controlled kinetics indicated slight differences in Tafel behavior where RbCl was slightly more aggressive than NaCl for low alloy steel oxidation. Differences in metal cation identity exert no effect on passive or breakdown on planar electrodes and only effect pit propagation stage in shallow pits.

Demarest, Chalres↗

NASA NTRS2003

Experimental Evaluation of Verification and Validation Tools on Martian Rover Software

To achieve its science objectives in deep space exploration, NASA has a need for science platform vehicles to autonomously make control decisions in a time frame that excludes intervention from Earth-based controllers. Round-trip light-time is one significant factor motivating autonomy capability, another factor is the need to reduce ground support operations cost. An unsolved problem potentially impeding the adoption of autonomy capability is the verification and validation of such software systems, which exhibit far more behaviors (and hence distinct execution paths in the software) than is typical in current deepspace platforms. Hence the need for a study to benchmark advanced Verification and Validation (V&V) tools on representative autonomy software. The objective of the study was to access the maturity of different technologies, to provide data indicative of potential synergies between them, and to identify gaps in the technologies with respect to the challenge of autonomy V&V. The study consisted of two parts: first, a set of relatively independent case studies of different tools on the same autonomy code, second a carefully controlled experiment with human participants on a subset of these technologies. This paper describes the second part of the study. Overall, nearly four hundred hours of data on human use of three different advanced V&V tools were accumulated, with a control group that used conventional testing methods. The experiment simulated four independent V&V teams debugging three successive versions of an executive controller for a Martian Rover. Defects were carefully seeded into the three versions based on a profile of defects from CVS logs that occurred in the actual development of the executive controller. The rest of the document is structured a s follows. In section 2 and 3, we respectively describe the tools used in the study and the rover software that was analyzed. In section 4 the methodology for the experiment is described; this includes the code preparation, seeding of defects, participant training and experimental setup. Next we give a qualitative overview of how the experiment went from the point of view of each technology; model checking (section 5), static analysis (section 6), runtime analysis (section 7) and testing (section 8). The find section gives some preliminary quantitative results on how the tools compared.

Brat, Guillaume↗