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At least 19 records

Technology Summary L-21044 Tunnel Sensor Hydrogeology Evaluations

Illicit tunneling along the U.S. Mexican border is a persistent national security problem. Several types of sensors could be to used to detect tunnels, but the hydrogeology of the subsurface makes some technologies ineffective. This effort used available borehole and surface geology data to develop 3D hydrogeologic models, which could then provide the input for optimizing subsurface sensor technologies to detect tunnels. Depending on the specific type of sensor, the following physical properties of the subsurface are important: longitudinal speed (velocity-p), shear speed (velocity-s), acoustic attenuation, electrical permittivity, electrical conductivity, density and elastic properties. LLNL developed a procedure which uses hydrogeological datasets to determine 3D hydrogeology cross sections. The physical properties of the rocks are generally not known precisely, thus ranges of properties would need to be considered. This cross-section data can then be utilized to enhance modeling studies to optimize sensor types/systems.

58 GEOSCIENCES↗

NETL Plastic Pipes Project (Final Report)

Plastic or composite pipelines have been the bane of the utility locating industry because they are neither conductive nor magnetic which are the properties traditionally used to locate buried utilities. Ground penetrating radar (GPR) is an effective geophysical tool for locating plastic/composite pipelines where resistive cover allows for adequate penetration of radar energy. However, GPR has limited applicability in areas where the soil cover is conductive due to significant clay and/or salt content. This study examines complementary near-surface geophysical methods that are potentially useful for locating buried plastic/composite pipelines, either singly or in combination. Specifically, this modeling study used computational numerical methods to forward model the response of GPR, resistivity, seismic, gravity gradiometry, and photoacoustic/thermoacoustic imaging methods to plastic/composite pipelines for various scenarios including: (1) pipe diameters ranging between 2 in. to 12 in.; (2) burial depths ranging between 3 ft. to 4 ft.; (3) various degrees in contrast in physical properties (i.e., electrical permittivity, elasticity, resistivity, density); and (4) various experimental acquisition choices (e.g., GPR radar and seismic source frequencies, electrode spacing). Numerical modeling performed herein reconfirmed that GPR is the preferred method for detecting/locating plastic pipelines. A caveat for GPR detection is that the material covering the plastic pipe (trench fill material and adjacent soil) must be sufficiently resistive to allow the two-way propagation to the required depth of investigation and back to the surface. GPR was the only method modeled in this study that can be used to directly detect plastic pipelines of 2-in.-diameter and larger when buried 3-ft-deep. GPR data processing and imaging also can determine pipe depth, pipe diameter, trench dimensions, and moisture conditions. Seismic modeling results suggest that direct detection of a 12-in.-diameter plastic pipe at 3-ft.-depth may be possible under favorable conditions; however, the associated signature would be weak (e.g., surface- to S-wave, backscattered surface-waves, and/or forward scattered surface-waves to S-wave). Direct pipe detection under field conditions with noise and strong lateral geologic heterogeneity is doubtful. Numerical modeling also suggests that plastic pipelines can be indirectly located by detecting the trench in which they are buried. GPR, direct current (DC) resistivity, and seismic methods have the potential to locate the pipeline trench if there is sufficient contrast between the trench-wall and trench-fill materials for the physical property being measured by each method (i.e., electrical permittivity for GPR; resistivity for DC resistivity; or density, compressional velocity, or shear velocity for seismic). Modeling also indicated that currently available (commercial) gravity gradiometers would be unable to directly detect/locate plastic pipelines ≤ 8-in.-diameter when buried 3-ft.-deep given the typical instrument noise floor for field surveying as well as the expected density variations due to geologic heterogeneity. The numerical modeling performed in this project did not identify a universal geophysical technology that can locate buried plastic pipelines in all parts of the United States (although GPR is suggested for all areas with resistive cover). However, the project results suggest that a towed land streamer simultaneously acquiring multiple geophysical data types including multi-offset GPR, multi-channel DC resistivity, seismic geophone- and/or distributed acoustic sensing (DAS), and potentially photoacoustic/thermoacoustic data would be an appropriate platform for locating buried plastic pipeline. Moreover, the complementary multiphysics data acquired by a towed land streamer would permit the use of joint and/or cooperative inversion frameworks for a more rigorous and consistent data interpretation.

42 ENGINEERING↗

Photon scattering by a 4π -spherically-focused ultrastrong electromagnetic wave

The scattering of high-power probe laser pulses by tightly focused ultrastrong laser pulses has been investigated through a semiclassical approach using a perturbative method based on the Born approximation. Under a 4π-spherically-focused ultrastrong light field, the electric permittivity and magnetic permeability tensors for vacuum are calculated from the Euler-Heisenberg Lagrangian to show the nonlinear birefringent property of vacuum. And, from permittivity and permeability tensors, the scattering potential is derived for the Born approximation. The first-order solution of the Born approximation is taken as an electric field scattered from the 4π-spherically-focused laser pulse when a probe laser pulse propagates through the focused laser field. The differential cross section of the nonlinear birefringent vacuum is derived, and the number of photons scattered from the nonlinear birefringent vacuum is analyzed in the laser power range of 10-1000 PW.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Lunar electromagnetic scattering. III - Propagation at arbitrary angles to the cavity axis

An analytic theory is developed for both the steady state and the time-dependent electric and magnetic fields inside the moon and its downstream cavity for interplanetary electromagnetic field fluctuations incident at arbitrary angles to the cavity axis. The moon model has an electrical conductivity, electrical permittivity, and magnetic permeability which vary arbitrarily with radius. The cavity downstream of the moon in the solar wind is assumed to be an infinitely long nonconducting cylinder. If the interplanetary field fluctuations propagate parallel to the cavity, the far cavity field is a single cylindrical transverse electric mode propagating downstream with the same frequency, wavelength, and phase velocity as the interplanetary field. The far cavity field is the result of a forced surface wave on the cylindrical boundary of the void. When the interplanetary fluctuations are incident at an arbitrary angle to the cavity axis, the far cavity field is a superposition of an infinite number of cylindrical TE and TM modes.

Horning, B. L.↗

LIRA: Probing the Lunar Surface for Resources.

The thermal, compositional and electrical properties of the lunar regolith, such as the triboelectric properties of lunar dust, the volatile content and the thermophysical properties of the polar regolith are essential to understand from a scientific perspective as well as for resource extraction and hazard mitigation. Understanding these properties specifically requires in situ measurement, as these properties are inherent in the ambient environment. With the Lunar In situ Regolith Analyzer (LIRA) we will combine mature surface sensor technologies from previous spacecraft missions (TECP) with new sensors (ClO4- ) and battery capability to achieve a compact in situ analysis package. The surface instrument suite is adapted for lunar conditions from a sensor developed as part of the Microscopy, Electrochemistry, and Conductivity Analyzer (MECA) instrument on the 2007 Mars Phoenix mission, as well as supplemental sensors. • The Thermal and Electrical Conductivity Probe (TECP), flown on MECA/Phoenix, which measures heat capacity, thermal conductivity, electrical resistance, and electrical permittivity between needles inserted into the soil. The TECP also measured atmospheric humidity, a capability that will be retained to search for subsurface H2O ice. The Mars TECP weighed 100-gram and by definition was at TRL 9. The lunar version (LIRA) is TRL 4. • The Perchlorate (ClO4) sensor is based on the fluorescence property of perchlorate (Mg, Fe, Na). We added a light source to excite the perchlorate (ClO4) and a photo diode to collect the emission wavelength. A sun-shade over the photo diode blocks out the ambient light during day light hours. The unifying goal of LIRA is to deliver a complete, integrated experiment suite that investigates properties that must be measured in situ, and provides the capability to power the suite at night or in PSRs, as well as a means to simulate aspects of the diurnal transition by delivering an optical pulse to the surface with intensity comparable to sunlight. We describe the scientific context of LIRA, touching on the electrical state of the near-surface environment, the thermal properties of the undisturbed regolith, and the distribution, geochemistry, and mobility of water. We also address the exploration implications of the work, examining hazards and resources in the context of strategic knowledge gaps (SKGs).

Heather Smith↗

Some methods for determining the profile functions of inhomogeneous media

The problem of determining the electric permittivity of an inhomogeneous dielectric medium is considered. Two analytical methods and one numerical method for solving this problem are presented. All these methods utilize the reflection coefficient measured as a function of the angular spectrum variable. This allows measurements at a fixed frequency, and these methods, therefore, can be used when the medium being studied is dispensive. A few examples are provided and some comments are made regarding the stability of solutions obtained using the various methods.

Mittra, R.↗

Microwave emission and scattering from vegetated terrain

Models are developed for the apparent temperature and backscattering coefficient of vegetated terrain to illustrate the effects of vegetation on the sensitivity of these parameters to variations of soil moisture. Three types of terrain are simulated for both the passive and the active case: a uniform canopy over a smooth surface, plant rows on a smooth surface, and plant rows on a rough surface. In each case the canopy is defined by its overall dimensions and by its electric permittivity, which is determined from Weiner model for dielectric mixture. Emission and scattering from both the soil and the canopy are considered, but atmospheric effects are neglected. Calculated data indicate that the sensitivity of the apparent temperature and backscattering coefficient to variations of soil moisture, decreases as the amount of vegetation increases. It is shown that the same effect results from increasing signal frequency or angle of incidence.

Sibley, T. G.↗

Electrical methods of determining soil moisture content

The electrical permittivity of soils is a useful indicator of soil moisture content. Two methods of determining the permittivity profile in soils are examined. A method due to Becher is found to be inapplicable to this situation. A method of Slichter, however, appears to be feasible. The results of Slichter's method are extended to the proposal of an instrument design that could measure available soil moisture profile (percent available soil moisture as a function of depth) from a surface measurement to an expected resolution of 10 to 20 cm.

Silva, L. F.↗

Microwave Extraction of Lunar Water for Rocket Fuel

Nearly 50% of the lunar surface is oxygen, present as oxides in silicate rocks and soil. Methods for reduction of these oxides could liberate the oxygen. Remote sensing has provided evidence of significant quantities of hydrogen possibly indicating hundreds of millions of metric tons, MT, of water at the lunar poles. If the presence of lunar water is verified, water is likely to be the first in situ resource exploited for human exploration and for LOX-H2 rocket fuel. In-Situ lunar resources offer unique advantages for space operations. Each unit of product produced on the lunar surface represents 6 units that need not to be launched into LEO. Previous studies have indicated the economic advantage of LOX for space tugs from LEO to GEO. Use of lunar derived LOX in a reusable lunar lander would greatly reduce the LEO mass required for a given payload to the moon. And Lunar LOX transported to L2 has unique advantages for a Mars mission. Several methods exist for extraction of oxygen from the soil. But, extraction of lunar water has several significant advantages. Microwave heating of lunar permafrost has additional important advantages for water extraction. Microwaves penetrate and heat from within not just at the surface and excavation is not required. Proof of concept experiments using a moon in a bottle concept have demonstrated that microwave processing of cryogenic lunar permafrost simulant in a vacuum rapidly and efficiently extracts water by sublimation. A prototype lunar water extraction rover was built and tested for heating of simulant. Microwave power was very efficiently delivered into a simulated lunar soil. Microwave dielectric properties (complex electric permittivity and magnetic permeability) of lunar regolith simulant, JSC-1A, were measured down to cryogenic temperatures and above room temperature. The microwave penetration has been correlated with the measured dielectric properties. Since the microwave penetration depth is a function of temperature and frequency, an extraction system can be designed for water removal from different depths.

Ethridge, Edwin C.↗

Microwave Processing of Planetary Surfaces for the Extraction of Volatiles

In-Situ Resource Utilization will be necessary for sustained exploration of space. Volatiles are present in planetary soils, but water by far has the most potential for effective utilization. The presence of water at the lunar poles, Mars, and possibly on Phobos opens the possibility of producing LOX for propellant. Water is also a useful radiation shielding material , and valuable to replenish expendables (water and oxygen) required for habitation in space. Because of the strong function of water vapor pressure with temperature, heating soil effectively liberates water vapor by sublimation. Microwave energy will penetrate soil and heat from within much more efficiently than heating from the surface with radiant heat. This is especially true under vacuum conditions since the heat transfer rate is very low. The depth of microwave penetration is a strong function of the microwave frequency and to a lesser extent on soil dielectric properties. Methods for complex electric permittivity and magnetic permeability measurement are being developed and used for measurements of lunar soil simulants. A new method for delivery of microwaves deep into a planetary surface is being prototyped with laboratory experiments and modeled with COMSOL MultiPhysics. We are planning to set up a planetary testbed in a large vacuum chamber in the coming year. Recent results are discussed.

Ethridge, Edwin C.↗

Microwave Processing of Planetary Surfaces for Volatile Extraction

In-Situ Resource Utilization will be necessary for sustained exploration of space. Volatiles are present in planetary soils, but water by far has the strongest potential for effective utilization. The presence of water at the lunar poles, Mars, and possibly on Phobos opens the possibility of producing LOX for propellant. Water is also a useful radiation shielding material and water (and oxygen) are expendables that are also required for habitation in space. Because of the strong function of water vapor pressure with temperature, heating soil effectively liberates water vapor by sublimation. Microwave energy will penetrate soil and heat from within much more efficiently than heating from the surface with radiant heat. This is especially true under vacuum conditions since the heat transfer rate is very low. The depth of microwave penetration is a strong function of the microwave frequency and to a lesser extent on soil dielectric properties. Methods for measuring the complex electric permittivity and magnetic permeability are being developed and have been measured for some lunar soil simulants at 0.5, 2.45, and 10 GHz from room temperature down to liquid nitrogen temperature. A new method for delivery of microwaves deep into a planetary surface is being prototyped with laboratory experiments and modeled with COMSOL MultiPhysics. We have plans to set up a planetary testbed in a large vacuum chamber in the coming year. Recent results will be presented.

Ethridge, Edwin C.↗

4-Vinyl-1,3-Dioxolane-2-One as an Additive for Li-Ion Cells

Electrolyte additive 4-vinyl-1,3-dioxolane-2-one has been found to be promising for rechargeable lithium-ion electrochemical cells. This and other additives, along with advanced electrolytes comprising solutions of LiPF6 in various mixtures of carbonate solvents, have been investigated in a continuing effort to improve the performances of rechargeable lithium-ion electrochemical cells, especially at low temperatures. In contrast to work by other researchers who have investigated the use of this additive to improve the high-temperature resilience of Li-ion cells, the current work involves the incorporation of 4-vinyl-1,3-dioxolane-2-one into quaternary carbonate electrolyte mixtures, previously optimized for low-temperature applications, resulting in improved low-temperature performance. The benefit afforded by 4-vinyl-1,3- dioxolane-2-one can be better understood in the light of relevant information from a number of prior NASA Tech Briefs articles about electrolytes and additives for such cells. To recapitulate: The loss of performance with decreasing temperature is attributable largely to a decrease of ionic conductivity and the increase in viscosity of the electrolyte. What is needed to extend the lower limit of operating temperature is a stable electrolyte solution with relatively small lowtemperature viscosity, a large electric permittivity, adequate coordination behavior, and appropriate ranges of solubilities of liquid and salt constituents. Whether the anode is made of graphitic or non-graphitic carbon, a film on the surface of the anode acts as a solid/electrolyte interface (SEI), the nature of which is critical to low-temperature performance. Desirably, the surface film should exert a chemically protective (passivating) effect on both the anode and the electrolyte, yet should remain conductive to lithium ions to facilitate intercalation and de-intercalation of the ions into and out of the carbon during discharging and charging, respectively. The additives investigated previously include alkyl pyrocarbonates. Those additives help to improve low-temperature performances by giving rise to the formation of SEIs having desired properties. The formation of the SEIs is believed to be facilitated by products (e.g., CO2) of the decomposition of these additives. These decomposition products are believed to react to form Li2CO3-based films on the carbon electrodes. The present additive, 4-vinyl-1,3-dioxolane-2-one, also helps to improve lowtemperature performance by contributing to the formation of SEIs having desired properties, but probably in a different manner: It is believed that, as part of the decomposition process, the compound polymerizes on the surfaces of carbon electrodes.

Smart, Marshall↗

Wheel-Based Ice Sensors for Road Vehicles

Wheel-based sensors for detection of ice on roads and approximate measurement of the thickness of the ice are under development. These sensors could be used to alert drivers to hazardous local icing conditions in real time. In addition, local ice-thickness measurements by these sensors could serve as guidance for the minimum amount of sand and salt required to be dispensed locally onto road surfaces to ensure safety, thereby helping road crews to utilize their total supplies of sand and salt more efficiently. Like some aircraft wing-surface ice sensors described in a number of previous NASA Tech Briefs articles, the wheelbased ice sensors are based, variously, on measurements of changes in capacitance and/or in radio-frequency impedance as affected by ice on surfaces. In the case of ice on road surfaces, the measurable changes in capacitance and/or impedance are attributable to differences among the electric permittivities of air, ice, water, concrete, and soil. In addition, a related phenomenon that can be useful for distinguishing between ice and water is a specific transition in the permittivity of ice at a temperature- dependent frequency. This feature also provides a continuous calibration of the sensor to allow for changing road conditions. Several configurations of wheel-based ice sensors are under consideration. For example, in a simple two-electrode capacitor configuration, one of the electrodes would be a circumferential electrode within a tire, and the ground would be used as the second electrode. Optionally, the steel belts that are already standard parts of many tires could be used as the circumferential electrodes. In another example (see figure), multiple electrodes would be embedded in rubber between the steel belt and the outer tire surface. These electrodes would be excited in alternating polarities at one or more suitable audio or radio frequencies to provide nearly continuous monitoring of the road surface under the tire. In still another example, one or more microwave stripline(s) or coplanar waveguide(s) would be embedded in a tire near its outer surface; in comparison with lower-frequency capacitive devices, a device of this type could be more sensitive.

Arndt, G. Dickey↗

Impedance Response Influenced by Variability in the Random Distribution of Physical Properties of Coated Materials in Two-Dimensional Space

Heterogeneous physical characteristics of a system featuring a single-layer film on a metallic surface have been explored via its impedance response. The Nyquist plot showed a distorted semicircle, indicative of the system's unique distribution characteristics. Utilizing a copula-based probability method, a two-dimensional deterministic impedance model was successfully integrated, accounting for spatial physical properties such as permittivity and electrical conductivity. This strategy enabled in-depth exploration and mechanistic quantification of a broad spectrum of properties. A quantitative understanding of impedance signal alterations, characterized by normally or log-normally correlated variables, was achieved through the variation in aspect ratio and characteristic frequency of the impedance spectra. Log-normally distributed electrical properties provided a superior representation of the distorted impedance spectra. As coefficient of variation (CV) values fluctuated, the aspect ratio and characteristic frequency showed heightened sensitivity to log-normal permittivity compared to log-normal electrical conductivity. Notably, a marked positive linear correlation between electrical properties resulted in an impedance response that approximated perfect semicircular spectra. The variability in the electrical properties' distribution was demonstrated by considering the correlation coefficient between electrical conductivity and the z-direction position. Furthermore, the highest aspect ratio of the impedance spectra was observed when the electrical conductivity was randomly distributed across the z-direction space.

36 MATERIALS SCIENCE↗

Model of a Piezoelectric Transducer

It's difficult to control liquid and gas in propellant tanks in zero gravity. A possible a design would utilize acoustic liquid manipulation (ALM) technology which uses ultrasonic beams conducted through a liquid and solid media, to push gas bubbles in the liquid to desirable locations. We can propel and control the bubble with acoustic radiation pressure by aiming the acoustic waves on the bubble s surface. This allows us to design a so called smart tank in which the ALM devices transfer the gas to the outer wall of the tank and isolating the liquid in the center. Because the heat transfer rate of a gas is lower of that of the liquid it would substantially decrease boil off and provide of for a longer storage life. The ALM beam is composed of little wavelets which are individual waves that constructively interfere with each other to produce a single, combined acoustic wave front. This is accomplished by using a set of synchronized ultrasound transducers arranged in an array. A slight phase offset of these elements allows us to focus and steer the beam. The device that we are using to produce the acoustic beam is called the piezoelectric transducer. This device converts electrical energy to mechanical energy, which appears in the form of acoustic energy. Therefore the behavior of the device is dependent on both the mechanical characteristics, such as its density, cross-sectional area, and its electrical characteristics, such as, electric flux permittivity and coupling factor. These devices can also be set up in a number of modes which are determined by the way the piezoelectric device is arranged, and the shape of the transducer. For this application we are using the longitudinal or thickness mode for our operation. The transducer also vibrates in the lateral mode, and one of the goals of my project is to decrease the amount of energy lost to the lateral mode. To model the behavior of the transducers I will be using Pspice, electric circuit modeling tool, to determine the transducer's electrical characteristics at the frequency of interest. This will also help me determine the characteristics of an impedance matching network to operate the transducer at its optimum efficiency. For this I will use ABMs (analog behavioral modeling) to model dependent current and voltage sources that represent the transducer. I have also been working on the Labview control software for the phased array used to control the bubbles, and will begin testing on that before the end of my internship.

Goodenow, Debra↗

Foldable Instrumented Bits for Ultrasonic/Sonic Penetrators

Long tool bits are undergoing development that can be stowed compactly until used as rock- or ground-penetrating probes actuated by ultrasonic/sonic mechanisms. These bits are designed to be folded or rolled into compact form for transport to exploration sites, where they are to be connected to their ultrasonic/ sonic actuation mechanisms and unfolded or unrolled to their full lengths for penetrating ground or rock to relatively large depths. These bits can be designed to acquire rock or soil samples and/or to be equipped with sensors for measuring properties of rock or soil in situ. These bits can also be designed to be withdrawn from the ground, restowed, and transported for reuse at different exploration sites. Apparatuses based on the concept of a probe actuated by an ultrasonic/sonic mechanism have been described in numerous prior NASA Tech Briefs articles, the most recent and relevant being "Ultrasonic/ Sonic Impacting Penetrators" (NPO-41666) NASA Tech Briefs, Vol. 32, No. 4 (April 2008), page 58. All of those apparatuses are variations on the basic theme of the earliest ones, denoted ultrasonic/sonic drill corers (USDCs). To recapitulate: An apparatus of this type includes a lightweight, low-power, piezoelectrically driven actuator in which ultrasonic and sonic vibrations are generated and coupled to a tool bit. The combination of ultrasonic and sonic vibrations gives rise to a hammering action (and a resulting chiseling action at the tip of the tool bit) that is more effective for drilling than is the microhammering action of ultrasonic vibrations alone. The hammering and chiseling actions are so effective that the size of the axial force needed to make the tool bit advance into soil, rock, or another material of interest is much smaller than in ordinary twist drilling, ordinary hammering, or ordinary steady pushing. Examples of properties that could be measured by use of an instrumented tool bit include electrical conductivity, permittivity, magnetic field, magnetic permeability, temperature, and any other properties that can be measured by fiber-optic sensors. The problem of instrumenting a probe of this type is simplified, relative to the problem of attaching electrodes in a rotating drill bit, in two ways: (1) Unlike a rotating drill bit, a bit of this type does not have flutes, which would compound the problem of ensuring contact between sensors and the side wall of a hole; and (2) there is no need for slip rings for electrical contact between sensor electronic circuitry and external circuitry because, unlike a rotating drill, a tool bit of this type is not rotated continuously during operation. One design for a tool bit of the present type is a segmented bit with a segmented, hinged support structure (see figure). The bit and its ultrasonic/sonic actuator are supported by a slider/guiding fixture, and its displacement and preload are controlled by a motor. For deployment from the folded configuration, a spring-loaded mechanism rotates the lower segment about the hinges, causing the lower segment to become axially aligned with the upper segment. A latching mechanism then locks the segments of the bit and the corresponding segments of the slider/guiding fixture. Then the entire resulting assembly is maneuvered into position for drilling into the ground. Another design provides for a bit comprising multiple tubular segments with an inner alignment string, similar to a foldable tent pole comprising multiple tubular segments with an inner elastic cable connecting the two ends. At the beginning of deployment, all segments except the first (lowermost) one remain folded, and the ultrasonic/sonic actuator is clamped to the top of the lowermost segment and used to drive this segment into the ground. When the first segment has penetrated to a specified depth, the second segment is connected to the upper end of the first segment to form a longer rigid tubular bit and the actuator is moved to the upper end of the second segnt. The process as described thus far is repeated, adding segments until the desired depth of penetration has been attained. Yet other designs provide for bits in the form of bistable circular- or rectangular- cross-section tubes that can be stowed compactly like rolls of flat tape and become rigidified upon extension to full length, in a manner partly similar to that of a common steel tape measure. Albeit not marketed for use in tool bits, a bistable reeled composite product that transforms itself from a flat coil to a rigid tube of circular cross section when unrolled, is commercially available under the trade name RolaTube(TradeMark) and serves as a model for the further development of tool bits of this subtype.

Bar-Cohen, Yoseph↗

Pareto Optimization of Oligomer Polarizability and Dipole Moment Using a Genetic Algorithm

High-performance electronic components are highly sought after in order to produce increasingly smaller and cheaper electronic devices. Drawing inspiration from inorganic dielectric materials, in which both polarizability and polarization contribute, organic materials can also maximize both. For a large set of small molecules drawn from PubChem, a Pareto-like front appears between the polarizability and dipole moment, indicating the presence of an apparent trade-off between these two properties. We tested this balance in π-conjugated materials by searching for novel conjugated hexamers with simultaneously large polar- izabilities and dipole moments with potential use for dielectric materials. Using a genetic algorithm (GA) screening technique in conjunction with an approximate density functional tight-binding method for property calculations, we were able to efficiently search chemical space for optimal hexamers. Given the scope of chemical space, using the GA technique saves considerable time and resources by speeding up molecular searches compared to a systematic search. Here, we also explored the underlying structure–function relationships, including sequence and monomer properties, that characterize large polarizability and dipole moment regimes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NETL Plastic Pipes Project - June 2022 Progress Report

Plastic or composite pipelines have been the bane of the utility locating industry because conduits are neither conductive nor magnetic, which are the properties traditionally used to locate buried utilities. Ground penetrating radar (GPR) is an effective geophysical tool for locating plastic/composite pipeline where the resistive cover allows for adequate penetration of radar energy. However, GPR cannot be used in areas where the soil cover is conductive due to significant clay and/or salt content. This study takes a comprehensive look at near-surface geophysical methods that potentially are useful for locating buried plastic/composite pipelines, either singly or in combination with other geophysical methods. Specifically, this modeling study uses computational numerical methods to forward model the response of GPR, resistivity, seismic, and gravity gradiometry methods to plastic/composite pipelines for various scenarios including: (1) pipe diameters ranging between 2 in. to 12 in.; (2) burial depths ranging between 3 ft to 4 ft; (3) various degrees in contrast in physical properties (i.e., permittivity, elasticity, electrical resistivity, density); and (4) various experimental acquisition choices (e.g., GPR radar frequencies, seismic source frequency, electrode spacing).

47 OTHER INSTRUMENTATION↗