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Complex Protostellar Chemistry

Two decades ago, our understanding chemistry in protostars was simple -- matter either fell into the central star or was trapped in planetary-scale objects. Some minor chemical changes might occur as the dust and gas fell inward, but such effects were overwhelmed by the much larger-scale processes that occurred even in bodies as small as asteroids. The chemistry that did occur in the nebula was relatively easy to model because the fall from the cold molecular cloud into the growing star was a one-way trip down a well-known temperature pressure gradient; the only free variable was time. However, just over 10 years ago it was suggested that some material could be processed in the inner nebula, flow outward, and become incorporated into comets. This outward flow was confirmed when the Stardust mission returned crystalline mineral fragments from Comet Wild 2 that must have been processed close to the Sun before they were incorporated into the comet. In this week's Science Express, Ciesla and Sandford demonstrate that even the outermost regions of the solar nebula can be a chemically active environment. Their finding could have consequences for the rest of the nebula. Our understanding of the chemistry in protostellar systems has made enormous progress over the last few decades, fueled by an increased awareness of the complex dynamics of these evolving energetic nebulae. We can no longer consider just the simple local environment to explain the composition of a planet, asteroid, or comet as was done in the past, but must now consider chemical processes that might take place within the nebula as a whole as well as the probability of transport and mixing the products of such reactions throughout the system. just as we now find it impossible to explain the complex chemistry of the terrestrial atmosphere without reference to detailed transport models that interconnect highly dissimilar chemical environments, so chemical models of protostars and of the solar nebula must eventually treat these environments as tightly coupled, interactive systems. The demonstration that the chemistry on the surfaces of outward-flowing, dynamically mixing icy grain surfaces both mimics the chemistry in cold cloud cores and strikes at the central assumption of the photochemical self-shielding model for oxygen isotopes in solar system solids only adds emphasis to this conclusion.

Nuth, Joseph A., III↗

New principles of self‐organization created through the interplay of DNA condensates, microtubules, and motors

Bioinspired design—which holds great promise for a new generation of materials that are robust to defects, scalable under green manufacture, environmentally responsive, and programmably reconfigurable—requires mastery over molecular self-organization. Yet, from its specific mechanisms to most general architectures, the principles governing self-organization remain poorly understood and not even fully enumerated. For living systems, one obvious architectural principle is the modular reuse of a few simple molecular components in myriad combinations to achieve more complex phenomena. For example, the mechanical tasks of a cell are driven by the nonequilibrium dynamics of cytoskeletal filaments and molecular motors—the same filaments and motors, reprogrammed by a variety of modulators, perform tasks ranging from cell movement to division. Similarly, many compartmentalization tasks are performed by liquid-like condensates of simple components, which act as membraneless organelles to localize particular molecules in space and time (e.g. for gene regulation or RNA processing). In a few cases, condensates combine and interact with the cytoskeleton to create still more complex phenomena, e.g. the nucleation of microtubule asters from the centrosome (a protein condensate) to form the mitotic spindle during cell division. Very little is known about the fundamental mechanisms of such filament-plus-condensate phenomena. Despite few examples, the landscape of behaviors that can be achieved through the combination of condensates, filaments, and motors appears vast. However, exploration has been hindered by a lack of systems that have sufficiently programmable and dynamically tunable interactions between component condensates, filaments, and motors. We proposed to combine programmable DNA condensates, filamentous microtubules, and light-controlled motors into self-organizing systems whose principles go beyond those that have been observed in nature. In one limit, our systems will use microtubules and motors to create the molecular analog of a network of roads, which will organize droplets of DNA condensates capable of carrying molecular cargo. DNA condensates coupled to motors will flow from one microtubule aster hub to another, with their direction and timing controlled by DNA circuits. In another limit, microtubules will swim through bulk DNA condensates and exhibit strong interactions with boundaries between different types of condensates. Microtubule swimmers will reflect, get trapped, or refract at boundaries, under a mechanical analog of the classical optical index of refraction. DNA condensates having different mechanical indexes of refraction will be used to construct the analog of optical lenses, so that microtubule swimmers can be manipulated like light—collimated, diffracted, focused, and sorted based on properties analogous to wavelength. These two limits define two new architectures, within which multiple new mechanistic principles for self-organization will be discovered and explored. To explore these architectures, the motor-based coupling between DNA condensates and filaments will be controlled in time and space through the use of opto-proteins that create reversible links between DNA condensates and motors upon illumination. For each principle of interest, patterns of light will create virtual experiments by defining patterns of activity where DNA condensates walk along filaments, or filaments swim through condensates, and patterns of inactivity which will serve either as controls, or as boundary conditions vital to create the desired phenomena. This research serves the goals of Basic Energy Sciences Biomolecular Material Program by elucidating the principles by which the emergent, nonequilibrium behavior of collections of DNA condensates, motors, and microtubules can be programmed by environmental light patterns to create complex motion and materials transport. Because DNA condensates can be readily coupled to virtually any high performance nanomaterial, from carbon nanotubes, to metal nanoparticles, to light harvesting systems, this work provides a path to the construction, self-maintenance and reconfiguration of materials relevant to the Department of Energy.

60 APPLIED LIFE SCIENCES↗

Measurement and Computation of Supersonic Flow in a Lobed Diffuser-Mixer for Trapped Vortex Combustors

The trapped vortex combustor (TVC) pioneered by Air Force Research Laboratories (AFRL) is under consideration as an alternative to conventional gas turbine combustors. The TVC has demonstrated excellent operational characteristics such as high combustion efficiency, low NO(x) emissions, effective flame stabilization, excellent high-altitude relight capability, and operation in the lean-burn or rich burn-quick quench-lean burn (RQL) modes of combustion. It also has excellent potential for lowering the engine combustor weight. This performance at low to moderate combustor mach numbers has stimulated interest in its ability to operate at higher combustion mach number, and for aerospace, this implies potentially higher flight mach numbers. To this end, a lobed diffuser-mixer that enhances the fuel-air mixing in the TVC combustor core was designed and evaluated, with special attention paid to the potential shock system entering the combustor core. For the present investigation, the lobed diffuser-mixer combustor rig is in a full annular configuration featuring sixfold symmetry among the lobes, symmetry within each lobe, and plain parallel, symmetric incident flow. During hardware cold-flow testing, significant discrepancies were found between computed and measured values for the pitot-probe-averaged static pressure profiles at the lobe exit plane. Computational fluid dynamics (CFD) simulations were initiated to determine whether the static pressure probe was causing high local flow-field disturbances in the supersonic flow exiting the diffuser-mixer and whether shock wave impingement on the pitot probe tip, pressure ports, or surface was the cause of the discrepancies. Simulations were performed with and without the pitot probe present in the modeling. A comparison of static pressure profiles without the probe showed that static pressure was off by nearly a factor of 2 over much of the radial profile, even when taking into account potential axial displacement of the probe by up to 0.25 in. (0.64 cm). Including the pitot probe in the CFD modeling and data interpretation lead to good agreement between measurement and prediction. Graphical inspection of the results showed that the shock waves impinging on the probe surface were highly nonuniform, with static pressure varying circumferentially among the pressure ports by over 10 percent in some cases. As part of the measurement methodology, such measurements should be routinely supplemented with CFD analyses that include the pitot probe as part of the flow-path geometry.

Brankovic, Andreja↗

Changes in rock matrix compressibility during deep CO 2 storage

Geologic carbon storage projects aim to permanently trap large volumes of CO 2 in reservoir rock sealed with low permeability layers. As high-pressure supercritical or liquid CO 2 is injected, hydromechanical and chemical processes caused by the reaction between the rock and acidic mixture of brine and CO 2 are initiated. The compressibility of reservoir rock needs to be properly characterized in order to assess the deformation and stability of the host formations, and there are a number of factors to be considered, including the matrix structure, solid, pores, and fluid. Here this study triggers from a fundamental question whether CO 2 treatment affects the compressibility of the rock matrix and its dominant composing solid minerals. Three different reservoir representatives are selected: Berea sandstone for silica-rich rock, and Apulian limestone and Indiana limestone for calcite-rich rock. Quartz and calcite are the main composing minerals of the reservoir rock, and their crystals are separately examined. Experimental methods are introduced for high-pressure CO 2 treatment of water-saturated materials, and measurements of the unjacketed and solid compressibilities are conducted. No change in the solid compressibility of the sandstone and quartz after CO 2 treatment is observed, whereas it increases by 18–21% for the limestones and by 15% for calcite. The latter observation is inconsistent with the ultrasonic wave velocities measurements and is believed to be due to the local dissolution of the calcite crystal surface. Our results show that only the solid matrix of the limestones becomes more compressible after CO 2 treatment. Consequent microimaging and mercury intrusion porosimetry analyses allowed observations of dissolution and precipitation of calcite, and creation of new connected and non-connected pores. Finally, the changes in limestone solid compressibilities and pore structure could significantly affect the rock properties and behavior during and after CO 2 injection and should be accounted for in the reservoir models.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Knowledge gaps for neuromorphic ionic computing

BACKGROUND Neuromorphic computing, inspired by the human brain’s ability to process information efficiently, represents a transformative approach to computation. In this Review, we explore the emerging field of neuromorphic ionic computing, which leverages ionic conduction and coupling to mimic neural processes, and identify critical knowledge gaps that must be addressed to realize its full potential. A central theme of the discussion is energy efficiency, a challenge that is both a limitation and an opportunity for this technology. Although complementary metal-oxide semiconductor (CMOS)–based neuromorphic technologies have made strides in scaling to billions of neurons and are increasingly applied in artificial intelligence and numerical computing, they remain orders of magnitude behind the human brain in terms of connectivity and energy efficiency. Neuromorphic ionic computing promises to overcome these limitations by leveraging the distinct architectural and operational principles of the brain. Our brains achieve this energy efficiency by combining several key features: using the same network elements to store and process information; using an incredibly complex and massively interconnected three-dimensional (3D) network of locally active elements that enables sparsity, robustness in the presence of noise, adaptation, and life-long learning; computing at comparatively low voltage and frequency; and last, taking advantage of a plethora of ions and small molecules as information carriers. Here, we propose that ionic computing systems can take advantage of similar features to achieve substantial gains in energy efficiency. ADVANCES Since the first reports of neuromorphic ionic behavior in nanofluidic channels, we have witnessed an explosion of reports that used ionic devices to produce synaptomimetic behaviors. However, achieving the goals of ionic computing requires not only implementation of much more sophisticated device functionality but also overcoming fundamental barriers in materials science, device architecture, and system integration. Current ionic devices, even those incorporating state-of-the-art materials, still suffer from limited functionality and stability, which restrict their performance and increase energy demands. Developing new materials with enhanced ionic properties is essential to overcome these limitations. Similarly, the design of neuromorphic devices must evolve to leverage the particular advantages of ionic processes. Existing architectures often follow a single-information-carrier logic of conventional electronics or are constructed of mesoscale fluidics, failing to capitalize on the energy-efficient mechanisms inherent to ionic systems or implement the multiple-information-carrier paradigm. Current neuromorphic chips focus on large-scale networks of analog memory elements based on mechanisms such as charge trap (flash), filamentary, phase change, or spin, which are built on top of a network of artificial CMOS neurons. Although such prototype networks have achieved impressive performance, it is difficult to envision how they can implement the key features such as massive connectivity, sophisticated plasticity, adaptability, sparsity, and “multichromatic” computing. Although small-scale devices have demonstrated promising results, integrating them, maintaining energy efficiency, and implementing temperature control as systems grow in complexity and size to computationally relevant scale remain major hurdles. Furthermore, interfacing neuromorphic ionic devices with existing computing technologies presents technical and conceptual challenges that will require innovative approaches that combine insights from neuroscience, materials science, and engineering. OUTLOOK Despite these challenges, the potential impact of neuromorphic ionic computing is profound with potential applications ranging from artificial intelligence to robotics and beyond. We also argue that neuromorphic ionic computing systems should not, at least in the beginning, compete with CMOS technologies but rather should focus on applications that require extreme energy efficiency with chemical and/or biological compatibility, such as biomedical applications (for example, brain-computer interfaces), environmental monitoring, and agricultural and food applications. Ultimately, this Review highlights the crucial role of interdisciplinary collaboration in advancing the field. Neuromorphic ionic computing is not merely a technological innovation; it represents a substantial step toward sustainable computation, aligning with the growing demand for energy-conscious solutions in a world that is increasingly reliant on data and computation.

Neuromorphic↗

Climatic, eustatic, and tectnoic controls on Quarternary deposits and landforms, Red Sea coast, Egypt

The degree to which local climatic variations, eustatic sea level fluctuations, and tectonic uplift have influenced the development of Quaternary marine and fluvial landforms and deposits along the Red Sea coast, Eastern Desert, was investigated using a combination of remote sensing and field data, age determinations of corals, and numerical simulations. False color composites generated from Landsat Thematic Mapper and SPOT image data, digital elevation models derived from sterophotogrammetric analysis of SPOT data, and field observations document that a approximately 10-km wide swath inland from the coast is covered in many places with coalescing alluvial fans of Quaternary age. Wadis cutting through the fans exhibit several pairs of fluvial terraces, and wadi walls expose alluvium interbedded with corraline limestone deposits Further, three distinct coral terraces are evident along the coatline. Climatic, eustatic, and tectonic uplift controls on the overall system were simulated using a cellular automata algorithm with the following characteristics: (1) uplift as a function of position and time, as defined by the elevations and ages of corals; (2) climatic variations driven by insolation changes associated with Milankovitch cycles; (3) sea level fluctuations based on U/Th ages of coral terraces and eustatic data; and (4) parametrized fluvial erosion and deposition. Results imply that the fans and coralline limestones were generated in a setting in which the tectonic uplift rate decreased over the Quarternary to negligible values at present. Coralline limestones formed furing eustatic highstands when alluvium was trapped uspstream and wadis filled with debris. During lowstands, wadis cut into sedimentary deposits; coupled with continuing uplift, fans were dissected, leaving remnant surfaces, and wadi-related terraces were generated by down cutting. Only landforms from the past three to four eustatic sea level cycles (i.e., approximately 300 to 400 kyr) are likely to have survived erosion and deposition associated with fluvial processes.

Arvidson, Raymond↗

In-Situ Resource Utilization Modeling of a Lunar Water Processing System

A key element of achieving a sustained surface presence, such as defined in NASA’s Artemis plan, is In-Situ Resource Utilization (ISRU). ISRU is the practice of using local resources to provide mission consumables that reduce system launch mass requirements, and regenerate resources (chiefly, water and oxygen) for propulsion and life support supporting both Lunar and Martian missions. ISRU systems require multiple complex processes, such as excavation, chemical reactors, and electrolysis subsystems that must operate in harmony to optimize the overall system process from beginning to end. The Mission Analysis and Integration Tool (MAIT) was previously developed with MATLAB in FY22 to connect individual subsystem models into a customized, flexible framework for the purpose of technology downselect, optimization, and end-to-end process planning. Beginning in FY24, MAIT was updated and became the capital program in the Systems Engineering and Integration (SE&I) ISRU Modeling and Analysis (SIMA) project. Prior work was leveraged and evolved using MATLAB/Simulink due to its ability to communicate with a vast number of other programming languages and makes up the backbone of data flow between inputs and outputs to the subsystem models. MAIT initially evaluated a suite of ISRU-related technologies, including the water processing Lunar Auger Dryer for ISRU (LADI) system with integrated upstream excavation and downstream electrolysis subsystems. With individual models consolidated, the MAIT tool generated over 5,000 cases during its first round of parametric sweeps on the water processing architecture at multiple production targets; the system analysis produced valuable insight into the optimal LADI geometry that minimized energy demands, estimated effects to cold trap size and radiator requirements, and calculated the power dynamics of the electrolysis unit and liquid oxygen storage volume. Additional efforts are being made to demonstrate the ability to scale ISRU technologies supporting the Space Technology Mission Directorate’s (STMD) commercialization strategy and increase the MAIT software capability. Work is ongoing to handle a wide array of ISRU system models beyond the Lunar environment, e.g. production of propellant for a Martian lander.

Avery Carlson↗

In-Situ Resource Utilization Modeling of a Lunar Water Processing System

A key element of achieving a sustained surface presence, such as defined in NASA’s Artemis plan, is In-Situ Resource Utilization (ISRU). ISRU is the practice of using local resources to provide mission consumables that reduce system launch mass requirements, and regenerate resources (chiefly, water and oxygen) for propulsion and life support supporting both Lunar and Martian missions. ISRU systems require multiple complex processes, such as excavation, chemical reactors, and electrolysis subsystems that must operate in harmony to optimize the overall system process from beginning to end. The Mission Analysis and Integration Tool (MAIT) was previously developed with MATLAB in FY22 to connect individual subsystem models into a customized, flexible framework for the purpose of technology downselect, optimization, and end-to-end process planning. Beginning in FY24, MAIT was updated and became the capital program in the Systems Engineering and Integration (SE&I) ISRU Modeling and Analysis (SIMA) project. Prior work was leveraged and evolved using MATLAB/Simulink due to its ability to communicate with a vast number of other programming languages and makes up the backbone of data flow between inputs and outputs to the subsystem models. MAIT initially evaluated a suite of ISRU-related technologies, including the water processing Lunar Auger Dryer for ISRU (LADI) system with integrated upstream excavation and downstream electrolysis subsystems. With individual models consolidated, the MAIT tool generated over 5,000 cases during its first round of parametric sweeps on the water processing architecture at multiple production targets; the system analysis produced valuable insight into the optimal LADI geometry that minimized energy demands, estimated effects to cold trap size and radiator requirements, and calculated the power dynamics of the electrolysis unit and liquid oxygen storage volume. Additional efforts are being made to demonstrate the ability to scale ISRU technologies supporting the Space Technology Mission Directorate’s (STMD) commercialization strategy and increase the MAIT software capability. Work is ongoing to handle a wide array of ISRU system models beyond the Lunar environment, e.g. production of propellant for a Martian lander.

Avery Carlson↗

Defect-Limited Mobility and Defect Thermochemistry in Mixed A-Cation Tin Perovskites: (CH3NH3)1-xCsxSnBr3

Hybrid organic-inorganic semiconductors crystallizing in the perovskite structure present a significant opportunity for realizing defect-tolerant semiconductors. In this work, we examine the solid solution, (CH3NH3)1-xCsxSnBr3, and identify the thermochemistry dictating the intrinsic carrier concentrations and how local structural distortions influences this electronic behavior. This family of compounds exhibits the expected systematic trend in decreasing optical gap with the cesium to methylammonium A-site mixing ratio, x, in the visible region. However, the carrier mobility, as determined from time-resolved microwave conductivity measurements, trends opposite to that expected from first-principles calculations combined with Boltzmann scattering theory calculations of the carrier mobility. We propose that this is a result of increasing carrier scattering with x in (CH3NH3)1-xCsxSnBr3 due to a significant increase in the carrier density with x. By examining the dependence of the carrier density as a function of x, we infer the compositional-dependence of the average enthalpy and nonconfigurational entropy per defect. While diffraction reveals a cubic aristotypic perovskite structure as a function of x at room temperature, the pair distribution functions obtained from synchrotron X-ray total scattering from these materials are better described by symmetry-adapted displacement modes of the Pm3m crystal structure, which we attribute to a large degree of anharmonic dynamics of the atom positions. This analysis shows that CH3NH3+-rich compositions retain mostly linear Sn-Br-Sn bonding environments through the displacements, while Cs+-rich compositions lead to more significantly bent Sn-Br-Sn environments. We propose that these bent bonding arrangements in Cs-rich compositions yield a higher propensity for defect formation. This also provides a rationale for carrier trapping that gives rise to anomalous microwave transients. Together, these results provide insight into the structure-dynamics-properties relationships in this highly anharmonic system with high amplitude atomic motions and low defect formation energies.

defect thermochemistry↗

Detecting wetland changes in Shanghai, China using FORMOSAT and Landsat TM imagery

Understanding the state of wetland ecosystems and their changes at the national and local levels is critical for wetland conservation, management, decision-making, and policy development practices. This study analyzed the wetlands in Shanghai, a province-level city, using remote sensing, image processing, and geographic information systems (GIS) techniques based on the Chinese national wetland inventory procedure and standards. FORMOSAT imagery acquired in 2012 and Navy nautical charts of the Yangtze estuarine area were used in conjunction with object-oriented segmentation, expert interpretation, and field validation to determine wetland status. Landsat imagery from 1985, 1995, 2000, 2003 and 2013 as well as social-economic data collected from 1985 to 2013 were used to further assess wetland changes. In 2013, Shanghai contained 376,970.6 ha of wetlands, and 78.8% of all wetlands were in marine or estuarine systems. Estuarine waters comprised the single largest wetland category. Between the first national wetland inventory in 2003 and the second national wetland inventory in 2013, Shanghai lost 50,519.13 ha of wetlands, amounting to a mean annual loss rate of 1.2% or an 11.8% loss over the decade. Declines were proportionately higher in marine and estuarine wetlands, with an annual loss of 1.8%, while there was a sharp increase of 1882.6% in constructed water storage areas for human uses. Diking, filling, impoundment and reclamation, which are all attributable to the economic development and urbanization associated with population increases, were the major factors that explained the gain and loss of wetlands. Additional factors affecting wetland losses and gains include sediment trapping by the hydropower system, which reduces supply to the estuary and erodes wetlands, and sediment trapping by the jetties, spur dikes, and diversion bulwark associated with a navigation channel deepening project, which has the converse effect, increasing saltmarsh wetland area at Jiuduansha shoal by three times between 2000 and 2013.

Tian, Bo↗

Density functional theory study of the point defect energetics in y- LiAlO2, Li2ZrO3 and Li2TiO3 materials

The defect energetics in y-LiAlO2, Li2 TiO3, and Li2ZrO3 materials used in tritium-producing burnable absorber rods and fusion solid breeder applications was investigated using density functional theory calculations. A comprehensive analysis of the charged defects was performed for cation and anion vacancies, interstitials, antisite defects, and 3H interstitial and substitutional defects to understand the defect structures at different charge states and their stability as a function of the electron chemical potential across the electronic band gap of crystals at operating temperature and oxygen partial pressure conditions. Through investigation of the local bonding configurations and projected electronic density of states of the 3H related charged defects, including 3H interstitial (3Hint), 3Hint bound with an oxygen interstitial, and substitutional 3H defects on the Li, O, and M (M¼ Al, Ti, and Zr) sites (3HLi, 3HO, and 3HM), the 3H states of these defects were distinguished, i.e. triton (3Hþ), neutral 3H (3H0), and tritide (3H-). The two stable 3H related defects under the Li2O-LiOH rich condition at T ¼ 1000 K, between P(O2) ¼ 10^-5 and 10^-25 atm were found to be 3H interstitial (3Hint) with charge of þ1 and neutral 3HLi (substitutional 3H on the Li site) in g-LiAlO2, Li2ZrO3, and Li2TiO3 materials. For Li2TiO3, the stability of the 3HO with charge of þ1 and 3HM with charge of 3 becomes comparable to that of 3Hint atm at P(O2) ¼ 1025 atm. Overall, our results indicate the energy cost to form the stable 3H defect species (3Hint with charge of þ1 and neutral 3HLi) in g-LiAlO2 material are higher than those of Li2TiO3 and Li2ZrO3 materials at T ¼ 1000 K, between P(O2) ¼ 10^-5 and 10^-25 atm. Interactions between the point defects and the 3H species as a function of the electron chemical potential across the band gap of the materials were also examined. All the three materials exhibit strong interactions between the 3Hint and the O vacancy, Li vacancy, and O interstitial defects with the strongest interactions found in the case of y-LiAlO2 phase, indicating a higher tendency to trap 3H at such point defects in y-LiAlO2.

Charged defect analysis, Tritium-producing burnabl↗

Non-linear MHD modelling of transients in tokamaks: a review of recent advances with the JOREK code

Transient magneto-hydrodynamic (MHD) events like edge localized modes (ELMs) or disruptions are a concern for magnetic confinement fusion power plants. Research with the MHD code JOREK towards understanding control of such instabilities is reviewed here in a concise way to provide a complete overview, while we refer to the original publications for details. Experimental validation for unmitigated vertical displacement events progressed. The mechanism of vertical force mitigation by impurity injection was identified. Two-way eddy current coupling to CARIDDI was completed. Shattered pellet injection was simulated in JET, KSTAR, ASDEX Upgrade (AUG) and ITER. Benign runaway electron beam termination in JET and ITER was studied. Coupling of kinetic REs to the MHD is ongoing and a virtual RE synchrotron radiation diagnostic was developed. Regarding pedestal physics, regimes devoid of large ELMs in AUG were simulated and predictive JT60-SA simulations are ongoing. For ELM suppression by resonant magnetic perturbations (RMPs), AUG, ITER and EAST simulations were performed. A free boundary RMP model was validated against experiments. Evidence for penetrated magnetic islands at the pedestal top based on AUG experiments and simulations was found. Simulations of the naturally ELM-free quiescent H-mode in AUG and HL-3 show external kink mode formation prevents pedestal build-up towards an ELM within windows of the edge safety factor. With kinetic neutral particles, high field side high density formation in ITER was simulated and with kinetic impurities, tungsten transport in AUG RMP plasmas was studied. To capture turbulent transport, electro-static full-f particle in cell models for ion temperature gradient and trapped electron modes were established and benchmarked. Application to RMP plasmas shows enhanced turbulence in comparison to unperturbed states. Energetic particle interactions with MHD were studied. Flux pumping that prevents the safety factor on axis from dropping below unity was simulated. First non-linear stellarator applications include current relaxation in $l$ = 2 stellarators, while verification for advanced stellarators progresses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Upgrades of Diagnostic Techniques and Technologies for JET next D-T Campaigns

JET next D-T campaign is presently scheduled for the year 2017. The main scientific objectives include the assessment of the isotopic effects on various plasma aspects: mainly on confinement, on the threshold to access the H mode and on ELM behaviour. From a technical point of view, the total yield of the entire D-T phase is expected to be 1.7 1021 neutrons, about a factor of six higher than the previous main D-T campaign on JET, DTE1. Therefore the radiation field will be quite relevant for next step devices, since the neutron flux at the first wall (∼10{sup 16} n/cm{sup 2}s), for example, will be comparable to the one in ITER behind the blanket. From a point of view of diagnostics developments, for many years JET diagnostics have been upgraded in order to provide adequate support for the scientific exploitation of a D-T campaign. The main efforts have concentrated on improving three main aspects of JET measuring capability: 1) the quality of the measurements of the electron and ion fluids to support the plasma physics programme 2) the diagnostic for the fusion products 3) diagnostic technologies for ITER. In terms of general diagnostic capability, compared to the previous DTE1, JET diagnostics have a much better spatial and temporal resolution of both the ion and electron fluid (about one order of magnitude improvement for each parameter). The consistency of the various independent measurements of the same parameters has also increased significantly; the three independent measurements of the electron temperature, for example, agree now within 5%. Moreover, solutions are being addressed to operate some cameras, both visible and IR, even during the full D-T phase to provide imaging of the plasma and the first wall. Various upgrades of neutral particle analysis are being considered, mainly to measure the isotopic composition. A new set of reflectometers is expected to provide valuable information about the changes in the turbulence with the different fuel mixtures. With regard to the fusion products, JET now can deploy a consistent set of techniques to measure the neutron yield and neutron spectra and to diagnose the fast particles. A full calibration of the neutron diagnostics with a 14 MeV source is being considered, after the recent very successful calibration for the 2.45 MeV neutrons. Vertical and horizontal lines of sight are foreseen for neutron and gamma spectrometry, in order to better determine the thermal neutron yield and to separate the trapped and passing components of the alphas. Various gamma ray spectrometers are being developed to cover all the various operational scenarios, from trace tritium to 50-50 D-T operation. The redistribution of the alphas will be measured with the gamma ray cameras, recently upgraded with full digital electronics; new detectors are being considered to bring the time resolution of the system in the ten of ms range. The lost alphas will also be diagnosed with improved spatial and temporal resolution, using Faraday cups and a scintillator probe. From a technological perspective, the D-T campaign will provide a unique opportunity to test ITER relevant technologies. From radiation hard detectors, for example Hall probes, to neutron absorbers and to shielding concepts, the potential of various solutions in a realistic 14 MeV radiation field will be assessed. The effects of neutrons and gamma on ancillary technologies and systems, such as fibre optics and electronics circuits, are also expected to be sufficiently high to derive useful information about the competitive advantage of various alternatives.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Critical role of isopotential surfaces for magnetostatic ponderomotive forces

By producing localized wave regions at the ends of an open-field-line magnetic confinement system, ponderomotive walls can be used to differentially confine different species in the plasma. Furthermore, if the plasma is rotating, this wall can be magnetostatic in the laboratory frame, resulting in simpler engineering and better power flow. However, recent work on such magnetostatic walls has shown qualitatively different potentials than those found in the earlier, nonrotating theory. Here, using a simple slab model of a ponderomotive wall, we resolve this discrepancy. We show that the form of the ponderomotive potential in the comoving plasma frame depends on the assumption made about the electrostatic potential in the laboratory frame. If the laboratory-frame potential is unperturbed by the magnetic oscillation, one finds a parallel-polarized wave in the comoving frame, while if each field line remains equipotential throughout the perturbation region, one finds a perpendicularly polarized wave. As a result, this in turn dramatically changes the averaged ponderomotive force experienced by a charged particle along the field line, not only its scaling, but also its direction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

PPPL Report on Reduced Modeling of Fusion Alpha Transport in ARC Burning Plasmas

We are reporting on the modeling of fusion alpha particle transport in the planned ARC fusion device being designed by the CFS (Commonwealth Fusion Systems: https://cfs.energy). The ARC tokamak is designed to operate in a burning-plasma regime characterized by a substantial population of fusion-born alpha particles. Alfvén eigenmode (AE) stability is assessed both analytically and numerically, incorporating alpha-particle drive, ion Landau, and radiative damping from thermal species and collisional damping from trapped electrons. Regions of unstable and near-threshold AE activity are mapped across ARC’s operational parameter space. Linear stability analysis with NOVA indicates multiple, often marginally unstable AEs, extending to toroidal mode numbers up to n= 30. The present report focuses on the ARC flat-top operating point prior to the sawtooth event. Alpha-particle transport on timescales exceeding the neoclassical slowing-down time is assessed using the NUBEAM module [1][2] of the TRANSP code [3], employing transport coefficients derived from the RBQ quasilinear modeling (cf. Appendix B). These global simulations identify favorable and unfavorable operating regimes with respect to alpha confinement, pressure redistribution, and overall alpha-heating efficiency. We also evaluate additional transport mechanisms—including neoclassical tearing mode (TM)–induced stochasticity, sawtooth-driven redistribution, and toroidal-field ripple using the kick model (cf. Appendix C) which makes use of the guiding-center code ORBIT, see Section 5. The kick model is integrated into TRANSP to enable self-consistent predictions of alpha-driven current formation and sustainment within the ARC scenario. Sensitivity scans are performed over the mode frequency, rational-surface alignment, island width, mode amplitude, and proximity of the limiter to the plasma. Our study provides an initial, physics-based guidance for machine design, operational planning, and equilibrium control, ensuring adequate alpha confinement and robust self-heating performance in ARC. Our simulations mostly targeted worst case scenarios, e.g. for TMs and sawteeth. Overall, we expect benign effects for the ARC scenario investigated in this work on fusion alpha confinement and losses in the presence of AEs, tearing modes and sawteeth. This report addresses three thrusts identified at the outset. The first thrust focuses on analytic estimates of the parametric dependencies of EP relaxation based on local AE stability simulations (Section 3). The second thrust involves global evaluations of AE stability using the NOVA, RBQ, and NUBEAM codes (Section 4). Finally, we investigate alpha-particle transport driven by low-frequency instabilities associated with sawteeth and tearing modes (Section 5).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Using neutral beams as a light ion beam probe (invited)

By arranging the particle first banana orbits to pass near a distant detector, the light ion beam probe (LIBP) utilizes orbital deflection to probe internal fields and field fluctuations. The LIBP technique takes advantage of (1) the in situ, known source of fast ions created by beam-injected neutral particles that naturally ionize near the plasma edge and (2) various commonly available diagnostics as its detector. These born trapped particles can traverse the plasma core on their inner banana leg before returning to the plasma edge. Orbital displacements (the forces on fast ions) caused by internal instabilities or edge perturbing fields appear as modulated signal at an edge detector. Adjustments in the q-profile and plasma shape that determine the first orbit, as well as the relative position of the source and detector, enable studies under a wide variety of plasma conditions. This diagnostic technique can be used to probe the impact on fast ions of various instabilities, e.g., Alfvén eigenmodes (AEs) and neoclassical tearing modes, and of externally imposed 3D fields, e.g., magnetic perturbations. To date, displacements by AEs and by externally applied resonant magnetic perturbation fields have been measured using a fast ion loss detector. Comparisons with simulations are shown. In addition, nonlinear interactions between fast ions and independent AE waves are revealed by this technique.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Robotic Subsurface Analyzer and Sample Handler for Resource Reconnaissance and Preliminary Site Assessment for ISRU Activities at the Lunar Cold Traps

Since the 1960s, claims have been made that water ice deposits should exist in permanently shadowed craters near both lunar poles. Recent interpretations of data from the Lunar Prospector-Neutron Spectrometer (LP- NS) confirm that significant concentrations of hydrogen exist, probably in the form of water ice, in the permanently shadowed polar cold traps. Yet, due to the large spatial resolution (45-60 Ian) of the LP-NS measurements relative to these shadowed craters (approx.5-25 km), these data offer little certainty regarding the precise location, form or distribution of these deposits. Even less is known about how such deposits of water ice might effect lunar regolith physical properties relevant to mining, excavation, water extraction and construction. These uncertainties will need to be addressed in order to validate fundamental lunar In Situ Resource Utilization (ISRU) precepts by 2011. Given the importance of the in situ utilization of water and other resources to the future of space exploration a need arises for the advanced deployment of a robotic and reconfigurable system for physical properties and resource reconnaissance. Based on a collection of high-TRL. designs, the Subsurface Analyzer and Sample Handler (SASH) addresses these needs, particularly determining the location and form of water ice and the physical properties of regolith. SASH would be capable of: (1) subsurface access via drilling, on the order of 3-10 meters into both competent targets (ice, rock) and regolith, (2) down-hole analysis through drill string embedded instrumentation and sensors (Neutron Spectrometer and Microscopic Imager), enabling water ice identification and physical properties measurements; (3) core and unconsolidated sample acquisition from rock and regolith; (4) sample handling and processing, with minimized contamination, sample containerization and delivery to a modular instrument payload. This system would be designed with three mission enabling goals, including: (1) a self-contained, low power, low mass, "black box'' configuration for operations from a lander, various classes of rovers or a surface-based platform with human assistance or robotic anchoring mechanisms; (2) reconfigurable and scalable sample handling for delivery to various types of instrumentation, depending on mission requirements; and (3) the use of advanced automation control and diagnostic techniques that will afford local human deployed, remote teleoperation and fully autonomous intelligent operations. Though a great deal of technology has been advanced toward these objectives, the SASH system faces significant design challenges, including the low gravity environment, various levels of autonomy in operations, radiation exposure, dust contamination, and temperature extremes and deltas. Significant input from the scientific and engineering communities, as well as a significant environmental testing program, will be required to guide the design process.

Gorevan, S. P.↗