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At least 469 records · Page 26

Impact of LDEF photovoltaic experiment findings upon spacecraft solar array design and development requirements

Photovoltaic cells (solar cells) and other solar array materials were flown in a variety of locations on the Long Duration Exposure Facility (LDEF). With respect to the predicted leading edge, solar array experiments were located at 0 degrees (row 9), 30 degrees (row 8) and 180 degrees (row 3). Postflight estimates of location of the experiments with respect to the velocity vector add 8.1 degrees to these values. Experiments were also located on the Earth end of the LDEF longitudinal axis. Types and magnitudes of detrimental effects differ between the locations with some commonality. Postflight evaluation of the solar array experiments reveal that some components/materials are very resistant to the environment to which they were exposed while others need protection, modification, or replacement. Interaction of materials with atomic oxygen (AO), as an area of major importance, was dramatically demonstrated by LDEF results. Information gained from the LDEF flight allows array developers to set new requirements for on-going and future technology and flight component development.

Young, Leighton E.↗

Orbital Debris IC Report

We started a simulation campaign in support of our ongoing plasma signatures of small orbital debris project SINTRA program funded by IARPA. This project aims to identify plasma signatures generated by the interaction of small orbital debris (>10cm) with space plasma that can be used for detection, tracking and eventually, develop technologies to remove these small but lethal objects. The small orbital debris problem is increasing exponentially threaten the current and future use of space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

In-space technology development: Atomic oxygen and orbital debris effects

Earlier Shuttle flight experiments have shown atomic oxygen within the orbital environment can interact with many materials to produce surface recession and mass loss and combine catalytically with other constituents to generate visible and infrared glows. In addition to these effects, examinations of returned satellite hardware have shown many spacecraft materials are also susceptible to damage from high velocity impacts with orbital space debris. These effects are of particular concern for large, multi-mission spacecraft, such as Space Station and SDI operational satellites, that will operate in low-Earth orbit (LEO) during the late 1990's. Not only must these spacecraft include materials and exterior coatings that are resistant to atomic oxygen surface interactions, but these materials must also provide adequate protection against erosion and pitting that could result from numerous impacts with small particles (less than 100 microns) of orbital space debris. An overview of these concerns is presented, and activities now underway to develop materials and coatings are outlined that will provide adequate atomic protection for future spacecraft. The report also discusses atomic oxygen and orbital debris flight experiments now under development to expand our limited data base, correlate ground-based measurments with flight results, and develop an orbital debris collision warning system for use by future spacecraft.

Visentine, James T.↗

Surrogate models to optimize plasma-assisted atomic layer deposition in high aspect ratio features

In this work, we explore surrogate models to optimize plasma enhanced atomic layer deposition (PEALD) in high aspect ratio features. In plasma-based processes such as PEALD and atomic layer etching (ALE), surface recombination can dominate the reactivity of plasma species with the surface, which can lead to unfeasibly long exposure times to achieve full conformality inside nanostructures like high aspect ratio vias. Using a synthetic dataset based on simulations of PEALD, we train artificial neural networks to predict saturation times based on cross section thickness data obtained for partially coated conditions. The results obtained show that just two experiments in undersaturated conditions contain enough information to predict saturation times within 10% of the ground truth. A surrogate model trained to determine whether surface recombination dominates the plasma–surface interactions in a PEALD process achieves 99% accuracy. This demonstrates that machine learning can provide a new pathway to accelerate the optimization of PEALD processes in areas such as microelectronics. Our approach can be easily extended to ALE and more complex structures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

M3SF-25LL010302052 - Radionuclide Interaction with Hydrothermally Altered Repository Materials

This progress report (Level 3 Milestone Number M3SF-25LL010302052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline Host Rock Properties & Processes - LLNL Number SF-25LL01030205. Observed changes in radionuclide sorption after bentonite/clay heating have implications for radionuclide diffusive transport through engineered barriers and must be considered when designing waste disposal repositories. Recent research performed at Los Alamos National Laboratory (LANL) has provided key insights regarding the hydrothermal alteration behavior of bentonite backfill in the presence of repository materials (steel, concrete, etc.). We are examining how this mineral alteration affects retardation behavior of a suite of radionuclides of interest to repository performance assessment. Sorption experiments and data analysis for 233 U were initiated in FY24 following earlier experiments performed on 243 Am, 90 Sr, 137 Cs. In FY25, we completed the 233 U study and initiated and completed a study of 237 Np sorption. Below, we summarize the results and potential impacts of hydrothermal alteration on radionuclide retardation and assess the importance of this process to radionuclide migration from a GHRDC. We also use statistical tools (i.e. PCA) to help us determine the major drivers in affecting changes in measured Kd values induced by hydrothermal alteration. These experiments also allow us to test the predictive ability of our component additivity approach to surface complexation and ion exchange. Our guiding hypothesis is that a robust surface complexation/ion exchange model and associated database can effectively predict changes in radionuclide sorption behavior resulting from the hydrothermal alteration of mineralogy in a repository near field. In November 2024 the paper “Selenium interaction with iron minerals: Quantitative comparison of sorption and coprecipitation impacts on mobility” was published in Applied Geochemistry. A short update of results to date is presented below. In FY25, we also actively supported the DITUSC project, which is part of the EURADII initiative, as associate partners. We are executing the Migration2025 conference and support associated the NEA-TDB and Thermochimie workshops that will provide critical international engagements and develop consensus and synergy in thermodynamics as it relates to supporting the US nuclear waste repository program.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Determination of Ground-Laboratory to In-Space Effective Atomic Oxygen Fluence for DC 93?500 Silicone

The objective of this research was to calibrate the ground-to-space effective atomic oxygen fluence for DC 93-500 silicone in a thermal energy electron cyclotron resonance (ECR) oxygen plasma facility. Silicones, commonly used spacecraft materials, do not chemically erode with atomic oxygen attack like other organic materials but form an oxidized hardened silicate surface layer. Therefore, the effective atomic oxygen fluence in a ground test facility should not be determined based on mass loss measurements, as they are with organic polymers. A technique has been developed at the Glenn Research Center to determine the equivalent amount of atomic oxygen exposure in an ECR ground test facility to produce the same degree of atomic oxygen damage as in space. The approach used was to compare changes in the surface hardness of ground test (ECR) exposed DC 93-500 silicone with DC 93-500 exposed to low Earth orbit (LEO) atomic oxygen as part of a shuttle flight experiment. The ground to in-space effective atomic oxygen fluence correlation was determined based on the fluence in the ECR source that produced the same hardness for the fluence in-space. Nanomechanical hardness versus contact depth measurements were obtained for five ECR exposed DC 93-500 samples (ECR exposed for 18 to 40 hrs, corresponding to Kapton effective fluences of 4.2 x 10(exp 20) to 9.4 x 10(exp 20) atoms/sq cm, respectively) and for space exposed DC 93-500 from the Evaluation of Oxygen Interactions with Materials III (EOIM III) shuttle flight experiment, exposed to LEO atomic oxygen for 2.3 x 10(exp 20) atoms/sq cm. Pristine controls were also evaluated. A ground-to-space correlation value was determined based on correlation values for four contact depths (150, 200, 250, and 300 nm), which represent the near surface depth data. The results indicate that the Kapton effective atomic oxygen fluence in the ECR facility needs to be 2.64 times higher than in LEO to replicate equivalent exposure damage in the ground test silicone as occurred in the space exposed silicone.

deGroh, Kim K.↗

SISGR: Chemomechanics of Far-From-Equilibrium Interfaces (COFFEI)

Portable, reliable, and deployable devices for energy storage and conversion require fundamental changes in design of solid-state composites comprising ceramics and metals. These materials comprise the electrodes and electrolytes of next-generation solid-oxide fuel cells and all solid-state batteries, forming solid-state functional composites. The advent of solid-state batteries – which replace liquid electrolytes with solid electrolytes capable of lithium ion transport for reliable energy storage in portable batteries – and the increased demand space for all solid-state fuel cells capable of oxygen reduction at intermediate temperatures remain important challenges for improved material stability and decreased system cost. However, little is understood about three fundamental facets of materials that enable such solid-state energy applications. First, how do such materials deform, fracture, or delaminate under operando conditions? Second, how does such mechanical deformation limit or facilitate electronic and ionic transport within and across such material interfaces? Third, how we can predictably design interface-rich composites to engineer both structural and electrochemical stability? This COFFEI Group comprised expertise from Materials Science & Engineering and Nuclear Science & Engineering to integrate unique in situ experiments, simulations, and fabricated interfaces that address these fundamental questions in solid-state interfaces of nanoscale composites that will guide solid-state electrochemistry, transport kinetics, and mechanical deformation for nonstoichiometric materials that enable such applications. In particular, we built on COFFEI’s understanding of chemomechanical coupling among defect concentrations, ionic transport, electron transport, and stored elastic energy that is particularly acute in the far-from-equilibrium conditions typical of energy device applications. By tailoring our focus to solid-state interfaces, we addressed these important issues by (a) developing and applying advanced in situ and ex situ characterization tools to characterize model materials and interfaces synthesized with molecular-level control, under both laboratory-controlled and extreme environments representative of energy device operation; and (b) employing computational modeling and simulation frameworks to predict transport mechanisms, reactivity and stability of these model materials and interfaces under significant chemical strains typical of energy device operation. Recent progress provided insights to additional materials systems and electrochemomechanical fatigue and fracture that were not fully envisioned when the program was initiated. Specifically, in the final three years of COFFEI we pursued two integrated thrusts, with complementary focus. Thrust I focused on failure-resistant electrochemomechanical composites, while Thrust II focused on strain-modulated conductivity and reactivity across interfaces. In contrast to our initial COFFEI focus, these thrusts concentrated wholly on solid-state material interfacial interactions and included greater integration of multiscale visualization including in situ electron microscopy of strained structures/interactions and mesoscale simulations. Successful development of functionally superior and long-lived battery and fuel cell systems and stress adaptable oxides requires a deeper, fundamental understanding of the coupling among the historically important subfields of solid-state electrochemistry, transport kinetics, and mechanical deformation for nonstoichiometric metal oxide electrodes. In this program, the understanding and the application of chemomechanical coupling of defect concentrations, ionic transport, electro-catalytic activity and stored elastic energy, particularly acute in the far-from-equilibrium conditions typical of energy device applications, are being refined and implications for device operation clarified, including for miniaturized solid-state batteries and fuel cells.

36 MATERIALS SCIENCE↗

Phase Formation in Nuclear Fallout

An understanding of the physical and chemical process occurring in a nuclear explosion enables predictions of the effects of nuclear weapons, including characteristics of radioactive fallout resulting from the explosion. Near-surface nuclear explosions are of particular interest due to the potential for significant amounts of environmental material to interact with and alter the physical and chemical behavior of the fireball. Such interactions have the potential to affect the distribution of radioactive species in the fireball and subsequently become incorporated into fallout through a process known as radiochemical fractionation. Studying variations in fallout formed in different historical testing environments allows us to understand the influence of local environments on fallout formation processes. In particular, constraining variations in thermal evolution and redox conditions during the evolution of the fireball can be useful to understanding how sensitive fallout radiochemical fractionation may be to the local explosion environment. However, untangling these conditions in complex, multicomponent fallout is a challenge. Here we present one method of constraining and interpreting fallout formation conditions by relating computationally derived phase stability predictions to observations in historic fallout. Development of such approaches will help improve physics-based models of fallout formation and radiochemical fractionation in complex, near surface nuclear detonations.

36 MATERIALS SCIENCE↗

Possible mitigation of tokamak plasma–surface interactions using thermionic divertor plates with inverse sheaths

Recent studies demonstrate that when a plasma-facing surface emits a sufficient flux of electrons, it will form an inverse sheath. In this work, we consider a possibility of using thermionic target plates with inverse sheaths as an innovative divertor operating scenario. We derive an electron heat flux boundary condition for inverse sheaths and show that for given power exhaust into a tokamak scrape-off-layer, an inverse sheath leads to a much lower target plasma electron temperature than a conventional sheath. Low enough target plasma temperatures for radiative divertor detachment could therefore be achieved using inverse sheaths instead of the usual need to inject neutral atoms that compromise the core plasma. Other advantages of inverse sheath detachment over conventional sheath operating scenarios include (a) ion impact energies are as low as possible, minimizing sputtering and tritium implantation, (b) surface recombination heat flux is reduced due to ion flux reduction, and (c) arcs are inhibited due to the sign of the surface electric field. This paper outlines the basic properties of inverse sheath detachment and considers the feasibility of implementation. We offer recommendations for future modeling efforts needed to better understand the effects of thermionic emission in tokamaks and whether inverse sheaths present a viable divertor solution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Ionization wave propagation in a He plasma jet in a controlled gas environment

Characterizing ionization wave propagation in low temperature plasma jets is critical to predicting production of reactive species and plasma–surface interactions for biomedical applications and surface functionalization. In this work, results from optical emission and laser induced fluorescence measurements of the ionization wave in a He plasma jet operating in a controlled gas environment are discussed and used for comparison with numerical modeling. Additionally, the ionization wave was observed using ICCD (Intensified Charge Coupled Device) imaging and characterized by time and spatially resolved electron density measurements using laser-collision-induced fluorescence. The plasma jet was initially characterized using pure He (nominally at 200 Torr), while varying pressure and voltage. When operating in pure He, the ionization wave broadly expands exiting the plasma tube. Increasing the operating pressure reduces the speed and isotropic expansion of the ionization wave. Furthermore, the jet operated with a humid He shroud was also studied. The humid He shroud results in the electron density increasing and having an annular profile due to the lower ionization potential of H2O compared to He and localized photoionization in the mixing region. Numerical modeling highlighted the importance of resonance radiation emitted by excited states of He, photoelectron emission from the quartz tube, and the kinetic behavior of the electrons produced by photoionization ahead of the ionization front.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Tin removal by an annular surface wave plasma antenna in an extreme ultraviolet lithography source

Tin contamination of the collector mirror surface remains one of the crucial issues of EUV (Extreme Ultraviolet) sources, directly impacting the availability of the tool. Hydrogen plasma-based tin removal processes employ hydrogen radicals and ions to interact with tin deposits to form gaseous tin hydride (SnH 4 ), which can be removed through pumping. An annular surface wave plasma (SWP) source developed at the University of Illinois—Urbana Champaign is integrated into the cone and perimeter of the collection mirror for in situ tin removal. The SWP is characterized by high ion and radical densities, low electron temperature, and local generation where etching is needed. This method has the potential to significantly reduce downtime and increase mirror lifetime. Radical probe measurements show hydrogen radical densities in the order of 10 19 m -3 , while Langmuir probe measurements show electron temperatures of up to 6 eV and plasma densities on the order of 10 17–18 m -3 . The generated ions are essential to the tin cleaning and have sufficiently low energy to cause no damage to the collector capping layer. Tin etch rates of up to 270 nm/min were observed in a variety of experimental conditions, including various powers, pressures, flowrates, and temperatures. In conclusion, the high etch rates demonstrated in this study exceed the expected contamination rate of the EUV source.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Operando XPS in reactive plasmas: The importance of the wall reactions

In this article, advancements in differential pumping and electron optics over the past few decades have enabled x-ray photoelectron spectroscopy (XPS) measurements at (near-)ambient pressures, bridging the pressure gap for characterizing realistic sample chemistries. Recently, we have demonstrated the capabilities of an ambient pressure XPS setup for in situ plasma environment measurements, allowing plasma-surface interactions to be studied in operando rather than using the traditional before-and-after analysis approach. This new “plasma-XPS” technique facilitates the identification of reaction intermediates critical for understanding plasma-assisted surface processes relevant to semiconductor nanomanufacturing, such as physical vapor deposition, etching, atomic layer deposition, and many other plasma applications. In this paper, we apply the plasma-XPS approach to monitor real-time surface chemical changes on a model Ag(111) single crystal exposed to oxidizing and reducing plasmas. We correlate surface-sensitive data with concurrent gas-phase XPS measurements and residual gas mass-spectrum analysis of species generated during plasma exposure, highlighting the significant role of plasma-induced chamber wall reactions. Ultimately, we demonstrate that plasma-XPS provides comprehensive insights into both surface and gas-phase chemistry, establishing it as a versatile and dynamic characterization tool with broad applications in microelectronics research. Finally, we outline potential enhancements and future metrology directions to advance plasma-XPS investigations further.

36 MATERIALS SCIENCE↗

An elastin-like polymer targeting vascular endothelial growth factor receptor-1 reduces survival in serum-starved endothelial cells

Peptides often exhibit biological activity that depends on the context in which they are displayed and delivered. Understanding and controlling these contextual effects on peptide function is critical for designing targeted and responsive peptide-based biomaterials and therapeutics. Genetically engineered protein polymers such as elastin-like polypeptides (ELPs) can incorporate bioactive peptide motifs and are attractive candidates for biomaterials used in tissue engineering and targeted drug delivery. They also present an opportunity for investigating and modulating cell signaling pathways by presenting a peptide ligand in various defined chemical and physical environments. Vascular endothelial growth factor receptor-1 (VEGFR1) signaling plays important and complex roles in cell survival and angiogenesis, but polymeric materials that interact with this signaling axis are scarce. In this study, a novel genetically engineered elastin-like polymer that targets VEGFR1 is characterized. This polymer, termed R1B-ELP, binds to human endothelial cells in a manner dependent on its VEGFR1-targeting motif and, based on cell proliferation and cytotoxicity assays, demonstrates activity consistent with disrupting pro-survival signaling necessary for endothelial cell function under conditions of environmental stress. Notably, these findings indicate that ELP fusion alters the functional behavior of the targeting peptide. Modulators of VEGFR1 signaling have potential applications in basic studies of angiogenesis as well as in therapeutic applications targeting vascular or inflammatory diseases.

36 MATERIALS SCIENCE↗

Development and transferability of neural-network models for plasma-surface interactions

Plasma-surface interactions are increasingly critical to modern technologies; yet, accurate molecular dynamics simulations remain limited by the capabilities of interatomic potentials. Deep Potentials (DPs) promise to revolutionize the field by providing a systematic method for producing accurate interatomic potentials. The primary challenge of DP development is selecting a dataset, which efficiently spans the set of atomic environments one expects to encounter in the subsequent molecular dynamics simulations. The computational cost of density functional theory calculations, which are the typical basis for DP development, makes it impossible to directly verify the quality of a given DP. To address this challenge, we explore the development of a deep-learned interatomic potential, “DeepREBO,” trained to reproduce the behavior of the REBO2 empirical potential, enabling direct validation of training methodology and transferability. Using an active learning framework, we begin with a minimal dataset and iteratively expand it to train a Deep Potential-Smooth Edition model that faithfully reproduces REBO2 results for 25 eV hydrogen bombardment of diamond (001), a particularly challenging case. We show that small, carefully curated datasets can outperform large, unguided ones, with effective models requiring fewer than 15 000 snapshots. Subsequent transferability tests demonstrate that while DeepREBO generalizes well to diamond (111) surfaces, performance degrades for amorphous carbon or higher-energy impacts, highlighting the need for use-case-specific training data. We also evaluate methods to improve short-range repulsion. This study outlines best practices for training robust deep potentials and underscores the importance of dataset design for predictive plasma simulations.

Ab-initio molecular dynamics↗

The MSP 2001 Mars Environmental Compatibility Assessment (MECA)

The Mars Environmental Compatibility Assessment (MECA) will evaluate the Martian environment for soil and dust-related hazards to human exploration as part of the Mars Surveyor Program 2001 Lander. Sponsored by the Human Exploration and Development of Space (HEDS) enterprise, MECA's goal is to evaluate potential geochemical and environmental hazards that may confront future Martian explorers, and to guide HEDS scientists in the development of high fidelity Mars soil simulants. The integrated MECA payload contains a wet-chemistry laboratory, a microscopy station, an electrometer to characterize the electrostatics of the soil and its environment, and arrays of material patches to study the abrasive and adhesive properties of soil grains. The instrument will acquire soil samples with a robotic arm equipped with a camera. MECA will examine surface and subsurface soil and dust in order to characterize particle size, shape, hardness, and also physical characteristics that may provide clues to mineralogy. MECA will characterize soil/water mixtures with respect to pH, redox potential, total dissolved ions, and trace toxins. MECA will determine the nature of electrostatic charging associated with excavation of soil, and the influence of ionizing radiation on material properties. It will also observe natural dust accumulation on engineering materials. To accomplish these objectives, MECA is allocated a mass of 10 kg within an enclosure of 35 x 25 x 15 cm. The Wet Chemistry Laboratory (WCL) consists of four identical cells that will accept samples from surface and subsurface regions accessible to the Lander's robotic arm, mix them with water, and perform extensive analysis of the solution. Ion-selective electrodes and related sensors will evaluate total dissolved solids, redox potential, pH, and the concentration of many soluble ions and gases in wet Martian soil. These electrodes can detect potentially dangerous heavy-metal ions, emitted pathogenic gases, and the soil's corrosive potential. Experiments will include cyclic voltammetry and anodic stripping voltammetry. Complementary to the Viking experiments, the chemical laboratory will characterize the water-soil solution rather than emitted gases. Nonetheless, through analysis of dissolved gases it will be able to replicate many of the Viking observations related to oxidants. MECA's microscopy station combines optical and atomic-force microscopy (AFM) in an actively focused, controlled illumination environment to image particles from millimeters to nanometers in size. Careful selection of substrates allows controlled experiments in adhesion, abrasion, hardness, aggregation, magnetic and other properties. Special tools allow primitive manipulation (brushing and scraping) of samples. Soil particle properties including size, shape, color, hardness, adhesive potential (electrostatic and magnetic), will be determined using an array of sample receptacles and collection substrates. The simple, rugged atomic-force microscope will image in the submicron size range and has the capability of performing a particle-by-particle analysis of the dust and soil. On Earth, the earliest forms of life are preserved as microfossils. The atomic-force microscope will have the required resolution to image down to the scale of terrestrial microfossils and beyond. Mounted on the end of the robot arm, MECA's electrometer actually consists of four types of sensors: an electric field meter, several triboelectricity monitors, an ion gauge, and a thermometer. Tempered only by ultraviolet-light-induced ions and a low-voltage breakdown threshold, the dry, cold, dusty martian environment presents an imposing electrostatic hazard to both robots and humans. The field meter will measure the ambient field on nearby objects while the triboelectric sensors, using identical circuitry, will measure the charge accumulated on test substances as they are dragged through the soil by the arm. The ion chamber, open to the environment, will sense both charged dust and free ions in the air. Over and above the potential threat to electronics, the electrostatic environment holds one of the keys to transport of dust and, consequently, Martian meteorology. Viewed with the robot arm camera, the abrasion and adhesion plates are strategically placed to allow direct observation of the interaction between materials and soils on a macroscopic scale. Materials of graded hardness are placed directly under the robot arm scoop to sense wear and soil hardness. A second array, placed on the lander deck, is deployed after the dust plume of landing has settled. It can be manipulated in a primitive fashion by the arm, first having dirt deposited on it from the scoop and subsequently shaken clean. A third array will passively collect dust from the atmosphere. In addition to objectives related to human exploration, the MECA data set will be rich in information relevant to basic geology, paleoclimate, and exobiology issues. To understand both contemporaneous and ancient processes on Mars, the mineralogy, petrology, and reactivity of Martian surface materials should be constrained. The MECA experiment will shed light on these quantities through its combination of chemistry and microscopy. MECA will be capable of measuring the composition of ancient surface water environments, observing microscopic evidence of geological (and biological?) processes, inferring soil and dust transport, comminution and weathering mechanisms, and characterizing soil horizons that might be encountered during excavation.

Hecht, M. H.↗

Deep potential molecular dynamics simulations of low-temperature plasma-surface interactions

Machine learning approaches to potential generation for molecular dynamics (MD) simulations of low-temperature plasma-surface interactions could greatly extend the range of chemical systems that can be modeled. Empirical potentials are difficult to generalize to complex combinations of multiple elements with interactions that might include covalent, ionic, and metallic bonds. This work demonstrates that a specific machine learning approach, Deep Potential Molecular Dynamics (DeepMD), can generate potentials that provide a good model of plasma etching in the Si-Cl-Ar system. Comparisons are made between MD results using DeepMD models and empirical potentials, as well as experimental measurements. Pure Si properties predicted by the DeepMD model are in reasonable agreement with experimental results. Simulations of Si bombardment by Ar + ions demonstrate the ability of the DeepMD method to predict sputtering yields as well as the depth of the amorphous-crystalline interface. Etch yields as a function of flux ratio and ion energy for simultaneous Cl 2 and Ar + impacts are in good agreement with previous simulation results and experiment. Predictions of etch yields and etch products during plasma-assisted atomic layer etching of Si-Cl 2 -Ar are shown to be in good agreement with MD predictions using empirical potentials and with experiment. Finally, good agreement was also seen with measurements for the spontaneous etching of Si by Cl atoms at 300 K. Further, the demonstration that DeepMD can reproduce results from MD simulations using empirical potentials is a necessary condition to future efforts to extend the method to a much wider range of systems for which empirical potentials may be difficult or impossible to obtain.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Experimental study of compaction localization in carbonate rock and constitutive modeling of mechanical anisotropy

Abstract Sedimentary rocks are inherently anisotropic and prone to strain localization. While the influence of rock anisotropy on the brittle/dilative regime has been studied extensively, its influence on the ductile/compactive regime is much less explored. This paper discusses the anisotropic behavior of a high‐porosity carbonate rock from central Europe (the Maastricht Tuffeau). A set of triaxial tests with concurrent x‐ray tomography has been performed at different confining pressures. The anisotropic characteristics of this rock have been investigated by testing samples cored at different inclinations of the bedding, thus revealing non‐negligible effects of the coring direction on yielding and compaction behavior. Specifically, samples cored perpendicular to bedding display higher strength and longer stages of post‐yielding deformation before manifesting re‐hardening. Despite such alterations of the inelastic response, Digital Image Correlation has revealed that the strain localization mode is independent of the coring direction, thus being primarily affected by the confinement level. To capture the observed interaction between material anisotropy and compaction behavior at the continuum‐scale, an elastoplastic constitutive law has been proposed. For this purpose, a set of tensorial bases has been introduced to replicate how the oriented rock fabric modulates the yielding and plastic flow characteristics of the material. The analyses show that the impact of the coring direction on yield function and plastic flow rule is fundamentally different, thus requiring the use of distinct projection strategies (a strategy here defined heterotopic mapping). The performance of the model, studied through parametric analyses and by calibrating the experimental results, illustrates the improved capability of the proposed constitutive approach when applied to strongly anisotropic porous rocks.

Shahin, Ghassan↗

Quantitative Measurement of Positive and Negative Ion Species Ejected from a Li–O–H Surface by Hydrogen and Noble Gas Ion Irradiation

We report sputtering yields of Li + , H - , O - , and OH x - ion species from an Li–O–H surface for H, D, He, Ne, and Ar ion irradiation at 45° incidence in the energy range of 30–2000 eV. A Li film was deposited on a stainless steel target using Li evaporators in the LTX-β vessel, using the LTX-β Sample Exposure Probe (SEP), which includes an ultrahigh vacuum suitcase for transferring targets without significant contamination from air exposure. The SEP was used to transfer the Li-coated target from LTX-β to a separate Sample Exposure Station (SES) to perform ion exposure measurements. The SEP was also used for characterization of the Li-coated target utilizing X-ray photoelectron spectroscopy in a different chamber, showing that the lithium film surface was oxidized. Ion exposures were performed using an electron cyclotron resonance plasma source in the SES. Sputtered/ejected species were sampled by a quadrupole mass spectrometer with capabilities for detecting positive and negative ions, and an energy filter for determining the mean kinetic energy of the ejected ion species. All ion irradiations caused Li + ions to be ejected, while causing impurity ions such as H + , H - , O - and OH - to be ejected. Measured ion energies of Li + ions from a Li–O–H surface suggested that the typical sheath potential on the divertor surface can trap sputtered Li + ions, which were previously reported as ~ 60% of total sputtered Li species from Li targets (Allain and Ruzic in Nucl Fusion 42:202, 2002). Hence, our results for the sputtering yields of ejected ion species and their associated ion energies from a Li–O–H surface indicates that lithium sputtering is suppressed and impurity removal is enhanced due to the sheath potential at the divertor surface for fusion reactor applications.

Plasma-material interaction↗