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DOE OSTI2020

Measuring the surface thickness of the weak charge density of nuclei

The present PREX-II and CREX experiments are measuring the rms radius of the weak charge density of Pb 208 and Ca 48 . We discuss the feasibility of a new parity violating electron scattering experiment to measure the surface thickness of the weak charge density of a heavy nucleus. Additionally, once PREX-II and CREX have constrained weak radii, an additional parity violating measurement at a momentum transfer near 0.76 fm - 1 for Pb 208 or 1.28 fm - 1 for Ca 48 can determine the surface thickness.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Dynamic control of ferroionic states in ferroelectric nanoparticles

The polar states of uniaxial ferroelectric nanoparticles interacting with a surface system of electronic and ionic charges with a broad distribution of mobilities is explored, which corresponds to the experimental case of nanoparticles in solution or ambient conditions. The nonlinear interactions between the ferroelectric dipoles and surface charges with slow relaxation dynamics in an external field lead to the emergence of a broad range of paraelectric-like, antiferroelectric-like ionic, and ferroelectric-like ferroionic states. The crossover between these states can be controlled not only by the static characteristics of the surface charges, but also by their relaxation dynamics in the applied field. Obtained results are not only promising for advanced applications of ferroelectric nanoparticles in nanoelectronics and optoelectronics, they also offer strategies for experimental verification.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Electron charge coherence on a solid neon surface

Recent experiments show ∼0.1 ms coherence time for a single electron charge qubit on a solid neon surface. This remarkably long coherence time is believed to result from the intrinsic purity of solid neon as a qubit host. In this paper, we present theoretical studies on the decoherence mechanisms of an electron’s charge (lateral motional) states on solid neon. At the typical experimental temperature of ∼10 mK, the two main decoherence mechanisms are the phonon-induced displacement of neon surface and phonon-induced modulation of neon permittivity (dielectric constant). With a qubit frequency increasing from 1 GHz to 10 GHz, the charge coherence time decreases from about 366 s to 7 ms and from about 864 s to 24 ms, respectively, limited by the two mechanisms above. Here, the calculated coherence times are at least one order longer than the observed ones at ∼6.4 GHz qubit frequency, suggesting plenty of room for experimental improvement.

Zou, Shan [University of Notre Dame, IN (United St↗

NASA NTRS1980

Configuration effects on satellite charging response

The response of various spacecraft configurations to a charging environment in sunlight was studied using the NASA Charging Analyzer Program code. The configuration features geometry, type of stabilization, and overall size. Results indicate that sunlight charging response is dominated by differential charging effects. Shaded insulation charges negatively result in the formation of potential barriers which suppress photoelectron emission from sunlit surfaces. Sunlight charging occurs relatively slowly: with 30 minutes of charging simulations, in none of the configurations modeled did the most negative surface cell reach half its equilibrium potential in eclipse.

Purvis, C. K.↗

DOE OSTI2020

First-principle investigation on catalytic hydrogenation of benzaldehyde over Pt-group metals

We report that understanding the hydrogenation of organic compounds in the aqueous phase has always been fundamentally important for improving carbon neutral pathways to fuels and value-added chemicals. In this study, we investigated both thermodynamic and kinetic profiles of benzaldehyde hydrogenation over the Pd(111) and Pt(111) metal surfaces using density functional theory (DFT) and ab initio molecular dynamic (AIMD) simulations. The adsorption of H 2 shows the mixed preference of H adsorption sites on the Pt(111), while the fcc adsorption site is dominant for H on the Pd(111). When benzaldehyde is added to the systems, we observe a strong reduction of benzaldehyde on charged Pd (111) surface compared with that on neutral surface. In contrast, charged state of the Pt(111) surface does not change their interaction. Subsequent hydrogenation reaction of benzaldehyde over Pd(111), proceeding via Langmuir-Hinshelwood mechanism, is affected by two major factors: the presence of H 2 O solvent and surface charge. The presence of H 2 O solvent greatly reduces the activation energy of C-H and O-H bond formation during the hydrogenation process. Furthermore, the hydrogenation step via C-H bond formation is preferred thermodynamically and kinetically over O-H bond formation during thermocatalytic hydrogenation, while the opposite trend holds true during electrocatalytic hydrogenation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

Energy Flows in Static and Programmable Catalysts

Programmable catalysts that change on the time scale of a catalytic cycle provide a new opportunity to control the flow of energy to reactants and products to promote faster and more selective chemistry. While traditional chemical manufacturing processes consume energy to achieve favorable reaction conditions, programmable catalysts aim to dynamically add or remove energy to catalytic cycles through perturbations of the catalytic surface via strain, charge, or light. These surface energy flows are quantified by the changes in adsorbate binding energy with time, and the overall efficiency relating energy inputs to catalytic performance is defined by the characteristics of the undulating catalytic surface. Here, understanding and quantifying energy flows in programmable catalysts provides baseline definitions and metrics for comparing dynamic conditions and identifying optimal catalytic performance for more efficient chemical manufacturing.

Binding energy↗

NASA NTRS1979

Experiments on regulation of electric charge on space vehicles

Spacecraft at geosynchronous altitudes have been observed to charge to potentials of many kilovolts. Anomalous behavior of spacecraft systems are believed to have resulted from discharges associated with these charging events. Experiments in modifying spacecraft charge have been conducted with ion and electron emitters on the ATS-5, ATS-6 and SCATHA spacecraft. The experiments have been successful in discharging highly charged spacecraft, in reducing the amount of differential charging on spacecraft surfaces, and in inducing charging on otherwise uncharged or nominally charged spacecraft. Regulation of vehicle charge allows better measurements of the plasma environment and should reduce anomalous spacecraft behavior.

Whipple, E. C., Jr.↗

NASA NTRS2003

Development of Charge to Mass Ratio Microdetector for Future Mars Mission

The Mars environment comprises a dry, cold and low air pressure atmosphere with low gravity (0.38g) and high resistivity soil. The global dust storms that cover a large portion of Mars are observed often from Earth. This environment provides an ideal condition for turboelectric charging. The extremely dry conditions on the Martian surface have raised concerns that electrostatic charge buildup will not be dissipated easily. If turboelectrically generated charge cannot be dissipated or avoided, then dust will accumulate on charged surfaces and electrostatic discharge may cause hazards for future exploration missions. The low surface on Mars helps to prolong the charge decay on the dust particles and soil. To better understanding the physics of Martian charged dust particles is essential to future Mars missions. We research and design two sensors, velocity/charge sensor and PZT momentum sensors, to measure the velocity distribution, charge distribution and mass distribution of Martian wed dust particles. These sensors are fabricated at NASA Kenney Space Center, Electrostatic and Surface Physics Laboratory. The sensors are calibrated. The momentum sensor is capable to measure 45 pan size particles. The designed detector is very simple, robust, without moving parts, and does not require a high voltage power supply. Two sensors are combined to form the Dust Microdetector - CHAL.

Chen, Yuan-Lian Albert↗

NASA NTRSDate not supplied

Design of Electrostatic Dust Lofting Suborbital Flight Experiment Examining Photoionization under Lunar Gravity

Dust on the lunar surface electrostatically charges due to the plasma environment surrounding the Moon, causing grains to become lofted and adhere to nearby surfaces including landers and astronauts. Studying the behaviors of these charged particles in the lunar environment is essential to plan around the deleterious effects of dust to future Moon missions. Models attempt to predict the amount of dust loading that can be expected in many of these scenarios, but they require experimental validation to be predictive. This physics cannot be fully studied on Earth due to the six times larger gravitational force obscuring the electrostatic interactions, so it is necessary to run experiments in a more relevant environment, including vacuum and near-lunar gravitational effects. An experiment has been designed to fly on the Lunar Gravity Acceleration (LGA) mission aboard the Blue Origin New Shepard suborbital rocket. This experiment will perform photoionization charging of lunar regolith simulant grains under the illumination of an ultraviolet (UV) source. As a result, the charged grains will then electrostatically repel one another and loft in the reduced gravity environment; their trajectories will be imaged via a high-speed camera. Preliminary laboratory results influencing the design of this experiment will be presented, including characterization of several UV sources, measurements of photoionization currents under various vacuum conditions, and examination of lunar simulant dust lofting under terrestrial gravity. Results from this flight will be compared with ground-based testing and the laboratory results outlined above to examine the dependence on gravity and will be fed into the dust charging and lofting models currently under development.

electrostatics↗

NASA NTRS1986

Spacecraft charging in the auroral plasma: Progress toward understanding the physical effects involved

The work is presented in four parts. First, main differences between the plasma environments in geostationary orbit and low polar orbit with regard to high-voltage charging situations are reviewed. Next, results are presented from a calculation of secondary-electron escape currents from negatively-charged spacecraft surfaces having various orientations relative to the local magnetic-field direction. It is shown that for finite ranges of combinations of electric and magnetic field directions, secondary-electron escape is completely suppressed and therefore cannot help to discharge the spacecraft. In such circumstances, secondary electrons may travel distances many times their gyroradii before reimpacting, and this may produce greatly increased secondary-electron surface currents. Thirdly, a simple rough estimate of the required conditions for high-voltage auroral-zone charging is developed. The results suggest that for any given spacecraft, surface potentials are likely to depend more strongly on the ratio of ambient flux of high-energy electrons to that of all ions, than on any other environmental parameter. Finally, preliminary results are presented of numerical simulation work directed toward testing this hypothesis. Numerical instabilities encountered in doing this simulation work probably are closely related to physical sensitivities inherent in the physics of the ion wake behind the spacecraft, and especially to beam-like constituents of the ion population in the wake.

Laframboise, J. G.↗

DOE OSTI2024

Optimizing Aluminum Bonding: Exploring Surface Roughness and Contact Angle Effects through Plasma and Acid Etching Contrasts

The use of adhesives to replace traditional techniques like welding and riveting has been on the rise in various industries as increasingly complex geometries and situations for bonding is required. It’s well known in the scientific community that an adhesive bond is only as efficient as the surface preparation used beforehand. Plasma treatments have been shown to gently clean the surface by only removing the top-most layer from the adherend and “charging” the surface instead of berating it. Whereas chemical treatments “etch” the surface in hopes of increasing surface area by increasing surface roughness. This method can be difficult to control quantitatively and can generate waste leading to serious environmental concerns. This study aims to address the encountered differences between plasma treatments and acid etching on aluminum substrates for adhesive bonding. Treating the surface of adherends plays a crucial role in promoting a good bond between adhesive and adherend. In this study, the effects of plasma and acid treatments are categorized using surface roughness measurements as well as contact angle which have been shown to correlate to mechanical strength. When evaluating different surface treatments, it is notable to mention that not only surface roughness and contact angle play a role in determining which method is most effective but also the consequences of the treatment itself. It was found that although chemical etching was the most effective in increasing roughness and decreasing contact angle, it generates a large amount of waste and is not sustainable compared to plasma work which uses a renewable process. The results from this work provide a deeper understanding of the relationship between surface treatments and surface roughness/contact angle and how this relates to a stronger adhesive bond.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Optimizing Aluminum Bonding: Exploring Surface Roughness and Contact Angle Effects through Plasma and Acid Etching Contrasts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2002

Instrumentation and Methodology Development for Mars Mission

The Mars environment comprises a dry, cold and low air pressure atmosphere with low gravity (0.38g) and high resistivity soil. The global dust storms that cover a large portion of Mars were observed often from Earth. This environment provides an idea condition for triboelectric charging. The extremely dry conditions on the Martian surface have raised concerns that electrostatic charge buildup will not be dissipated easily. If triboelectrically generated charge cannot be dissipated or avoided, then dust will accumulate on charged surfaces and electrostatic discharge may cause hazards for future exploration missions. The low surface temperature on Mars helps to prolong the charge decay on the dust particles and soil. To better understand the physics of Martian charged dust particles is essential to future Mars missions. We research and design two sensors, velocity/charge sensor and PZT momentum sensors, to detect the velocity distribution, charge distribution and mass distribution of Martian charged dust particles. These sensors are fabricated at NASA Kenney Space Center, Electromagnetic Physics Testbed. The sensors will be tested and calibrated for simulated Mars atmosphere condition with JSC MARS-1 Martian Regolith simulant in this NASA laboratory.

Chen, Yuan-Liang Albert↗

NASA NTRS1979

Parameter dependence of equilibrium charging potentials

Equilibrium surface potentials for slab configurations (representative e.g. of a large solar power satellite) are determined under extensive parametric variations of materials, solar exposure and substorm characteristics. The dependence of the charging process for dielectric surfaces on the various material response characteristics is described. The results are used as a guide to the material selection and design of large space systems to minimize dielectric breakdowns and reduce parasitic leakage currents on SPS.

Suh, P. K.↗

NASA NTRS1978

A monolithic SAW-charge transfer device

Surface acoustic waves excited in a Si-SiO2-ZnO layered structure can produce a traveling electric field in the silicon substrate. Charges stored in the traveling potential wells can be transferred at high speed and density and with less complexity. The monolithic structure under investigation for the SAW-charge transfer device consists of a silicon substrate, a thin silicon dioxide insulating layer on top of which a ZnO piezoelectric film is deposited by sputtering. The surface acoustic waves are excited by interdigital transducers. The signal charge is injected into traveling potential wells that travel with the velocity of sound. Conditions for the transfer of the charges by the traveling wells are analyzed. A surface acoustic wave program was used to determine the optimum structure dimensions and transducer configuration which will produce the highest coupling in the excitation of the piezoelectric waves.

Papanicolaou, N. A.↗

NASA NTRS2006

Laboratory Measurements of Optical and Physical Properties of Individual Lunar Dust Grains

The lunar surface is covered with a thick layer of sub-micron/micron size dust grains formed by meteoritic impact over billions of years. The fine dust grains are levitated and transported on the lunar surface, and transient dust clouds over the lunar horizon were observed by experiments during the Apollo 17 mission. Theoretical models suggest that the dust grains on the lunar surface are charged by the solar UV radiation as well as the solar wind. Even without any physical activity, the dust grains are levitated by electrostatic fields and transported away from the surface in the near vacuum environment of the Moon. The current dust charging and levitation models, however, do not fully explain the observed phenomena. Since the abundance of dust on the Moon's surface with its observed adhesive characteristics has the potential of severe impact on human habitat and operations and lifetime of a variety of equipment, it is necessary to investigate the charging properties and the lunar dust phenomena in order to develop appropriate mitigating strategies. Photoelectric emission induced by the solar UV radiation with photon energies higher than the work function of the grain materials is recognized to be the dominant process for charging of the lunar dust, and requires measurements of the photoelectric yields to determine the charging and equilibrium potentials of individual dust grains. In this paper, we present the first laboratory measurements of the photoelectric yields of individual sub-micron/micron size dust grains selected from sample returns of Apollo 17, and Luna 24 missions, as well as similar size dust grains from the JSC-1 simulants. The experimental results were obtained on a laboratory facility based on an electrodynamic balance that permits a variety of experiments to be conducted on individual sub-micron/micron size dust grains in simulated space environments. The photoelectric emission measurements indicate grain size dependence with the yield increasing by an order of magnitude for grains of radii sub-micron size to several micron radii, at which it reaches asymptotic values. The yield for large size grains is found to be more than an order of magnitude higher than the bulk measurements on lunar fines reported in the literature.

Abbas, M. M.↗

DOE OSTI2023

Mechanisms of Zn removal from water by amorphous geopolymer: Molecular-level insights from X-ray absorption spectroscopy, isotope fractionation, and surface complexation modeling

Porous geopolymers have attracted widespread attention as promising heavy metal adsorbents that can be synthesized from aluminosilicate solid wastes. However, the precise microstructural evidence for adsorbed heavy metals on geopolymers remains unclear due to the insensitivity of conventional characterization techniques on minerals with amorphous structure and surface disorder. Batch adsorption and column experiments coupled with X-ray absorption spectroscopy (XAS), Zn stable isotope, and surface complexation model (SCM) were employed to reveal the Zn removal mechanisms with coal fly ash porous geopolymer (CFAPG) at a molecular scale. The macroscopic kinetic and isothermal adsorption of Zn on CFAPG were well described by the pseudo-second-order model and Bi_Langmuir equation, respectively, indicating the presence of abundant heterogeneous active sites on the CFAPG surface. Further, two types of active sites on the CFAPG surface were identified by XAS coupled with Zn isotopes in batch experiments at pH <= 6.0: one is pH-dependent and associated with tetrahedral zinc coordi-nation, and the other is pH-insensitive and associated with octahedral zinc coordination; these sites were confirmed by the bidentate SCM as the variable charge site (surface complexation, >S-OH) and the permanent negative charge site (cation exchange, >X - ), respectively. Furthermore, the important contribution of surface co -precipitation besides surface complexation and cation exchange to the Zn adsorption on CFAPG was identified by XAS coupled with SCM in a flow-through column experiment at pH >6.0. These investigations provide a systemic understanding of the Zn adsorption mechanisms on CFAPG and an SCM reference for the application and prediction of geopolymers in heavy metal-contaminated water remediations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

A computational pipeline to generate a synthetic dataset of metal ion sorption to oxides for AI/ML exploration

The charged mineral/electrolyte interfaces are ubiquitous in the surface and subsurface–including the surroundings of the geological disposal sites for radioactive waste. Therefore, understanding how ions interact with charged surfaces is critically important for predicting radionuclide mobility in the case of waste leakage. At present, the Surface Complexation Models (SCMs) are the most successful thermodynamic frameworks to describe ion retention by mineral surfaces. SCMs are interfacial speciation models that account for the effect of the electric field generated by charged surfaces on sorption equilibria. These models have been successfully used to analyze and interpret a broad range of experimental observations including potentiometric and electrokinetic titrations or spectroscopy. Unfortunately, many of the current procedures to solve and fit SCM to experimental data are not optimal, which leads to a non-transferable or non-unique description of interfacial electrostatics and consequently of the strength and extent of ion retention by mineral surfaces. Recent developments in Artificial Intelligence (AI) offer a new avenue to replace SCM solvers and fitting algorithms with trained AI surrogates. Unfortunately, there is a lack of a standardized dataset covering a wide range of SCM parameter values available for AI exploration and training–a gap filled by this study. Here, we described the computational pipeline to generate synthetic SCM data and discussed approaches to transform this dataset into AI-learnable input. First, we used this pipeline to generate a synthetic dataset of electrostatic properties for a broad range of the prototypical oxide/electrolyte interfaces. The next step is to extend this dataset to include complex radionuclide sorption and complexation, and finally, to provide trained AI architectures able to infer SCMs parameter values rapidly from experimental data. Here, we illustrated the AI-surrogate development using the ensemble learning algorithms, such as Random Forest and Gradient Boosting. These surrogate models allow a rapid prediction of the SCM model parameters, do not rely on an initial guess, and guarantee convergence in all cases.

Li, Chunhui↗