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Optical and Magneto-Optical Properties of Donor-Bound Excitons in Vacancy-Engineered Colloidal Nanocrystals

Controlled insertion of electronic states within the band gap of semiconductor nanocrystals (NCs) is a powerful tool for tuning their physical properties. One compelling example is II–VI NCs incorporating heterovalent coinage metals in which hole capture produces acceptor-bound excitons. To date, the opposite donor-bound exciton scheme has not been realized because of the unavailability of suitable donor dopants. Here, we produce a model system for donor-bound excitons in CdSeS NCs engineered with sulfur vacancies (V S ) that introduce a donor state below the conduction band (CB), resulting in long-lived intragap luminescence. V S -localized electrons are almost unaffected by trapping, and suppression of thermal quenching boosts the emission efficiency to 85%. Magneto-optical measurements indicate that the V S are not magnetically coupled to the NC bands and that the polarization properties are determined by the spin of the valence-band photohole, whose spin flip is massively slowed down due to suppressed exchange interaction with the donor-localized electron.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

A Delay Tolerant Networking-Based Approach to a High Data Rate Architecture for Spacecraft

Historically, it has been the case that SWaP placed such severe constraints on radios that the links between spacecraft and the ground were relatively slow. This meant that the radio link was normally a significant bottleneck in returning scientific data. Over recent years, however, a combination of more efficient radio design, intelligent waveforms, and highly directed, high-frequency RF / optical systems have led to a rapid increase in the amount of data that can be pushed through radio and optical links. This has led to some cases where the radio links are capable of moving data much more quickly than the spacecraft and instruments are capable of actually generating it! In some instances, scientific data can therefore be lost not because the downlink is too slow to support the data rate, but instead because the spacecraft was not designed in a way that would let it fully utilize both the radio and the networking services available to it.The High Data Rate Architecture (HiDRA) project describes a packet-based approach to building modern, distributed spacecraft systems. It presents a means for spacecraft and other assets to participate in both present and future Delay Tolerant Networks (DTN), while simultaneously ensuring that the asset is able to fully utilize the new, high-speed links that have been seeing more widespread development and deployment in recent years. With this in mind, this paper begins with a discussion regarding HiDRA's evolution. Next, it discusses the capabilities and limitations of NASA's present DTN-enabled networks. Of particular note is the way in which principles of network design at the terrestrial level (e.g. use of programmable networks / software-defined networks, separation between data and control plane, infusion of COTS Ethernet switch chips, etc.) can all be translated into the space environment as well. After this, the paper discusses the design and implementation of a present prototype reference implementation of High-Rate DTN (HDTN), which is intended to demonstrate future high-rate networking concepts as part of a coherent demonstration on the International Space Station (ISS). The goal, of both the research and of this implementation, is to help develop a ready-made toolbox of ideas, approaches, and examples from which mission designers can draw when putting together new missions. Assuming all goes as planned, this should not only work to reduce the cost of individual mission design, but also improve the rate at which science data can be returned for mission participants to review.

Hylton, Alan↗

A Delay Tolerant Networking-Based Approach to a High Data Rate Architecture for Spacecraft

Historically, it has been the case that SWaP (Size, Weigh a lot, And consume Power) placed such severe constraints on radios that the links between spacecraft and the ground were relatively slow. This meant that the radio link was normally a significant bottleneck in returning scientific data. Over recent years, however, a combination of more efficient radio design, intelligent waveforms, and highly directed, high-frequency RF / optical systems have led to a rapid increase in the amount of data that can be pushed through radio and optical links. This has led to some cases where the radio links are capable of moving data much more quickly than the spacecraft and instruments are capable of actually generating it! In some instances, scientific data can therefore be lost not because the downlink is too slow to support the data rate, but instead because the spacecraft was not designed in a way that would let it fully utilize both the radio and the networking services available to it. The High Data Rate Architecture (HiDRA) project describes a packet-based approach to building modern, distributed spacecraft systems. It presents a means for spacecraft and other assets to participate in both present and future Delay Tolerant Networks (DTN), while simultaneously ensuring that the asset is able to fully utilize the new, high-speed links that have been seeing more widespread development and deployment in recent years. With this in mind, this paper begins with a discussion regarding HiDRA's evolution. Next, it discusses the capabilities and limitations of NASA's present DTN-enabled networks. Of particular note is the way in which principles of network designate the terrestrial level (e.g., use of programmable networks / software-defined networks, separation between data and control plane, infusion of COTS (Commercial Off-The-Shelf) Ethernet switch chips, etc.) can all be translated into the space environment as well. After this, the paper discusses the design and implementation of a present prototype reference implementation of High-Rate DTN (HDTN),which is intended to demonstrate future high-rate networking concepts as part of a coherent demonstration on the International Space Station (ISS). The goal, of both the research and of this implementation, is to help develop a ready-made toolbox of ideas, approaches, and examples from which mission designers can draw when putting together new missions. Assuming all goes as planned, this should not only work to reduce the cost of individual mission design, but also improve the rate at which science data can be returned for mission participants to review.

Hylton, Alan↗

Characterization of ionic currents of cells of the subfornical organ that project to the supraoptic nuclei

The subfornical organ (SFO) is a forebrain structure that converts peripheral blood-borne signals reflecting the hydrational state of the body to neural signals and then through efferent fibers conveys this information to several central nervous system structures. One of the forebrain areas receiving input from the SFO is the supraoptic nucleus (SON), a source of vasopressin synthesis and control of release from the posterior pituitary. Little is known of the transduction and transmission processes by which this conversion of systemic information to brain input occurs. As a step in elucidating these mechanisms, the present study characterized the ionic currents of dissociated cells of the SFO that were identified as neurons that send efferents to the SON. A retrograde tracer was injected into the SON area in eleven-day-old rats. After three days for retrograde transport of the label, the SFOs of these animals were dissociated and plated for tissue culture. The retrograde tracer was used to identify the soma of SFO cells projecting to the SON so that voltage-dependent ionic currents using whole-cell voltage clamp methods could be studied. The three types of currents in labeled SFO neurons were characterized as a 1) rapid, transient inward current that can be blocked by tetrodotoxin (TTX) characteristic of a sodium current; 2) slow-onset sustained outward current that can be blocked by tetraethylammonium (TEA) characteristic of a delayed rectifier potassium current; and 3) remaining outward current that has a rapid-onset and transient characteristic of a potassium A-type current. Copyright 1999 Elsevier Science B.V.

Non-NASA Center↗

Machine learning without a processor: Emergent learning in a nonlinear analog network

Standard deep learning algorithms require differentiating large nonlinear networks, a process that is slow and power-hungry. Electronic contrastive local learning networks (CLLNs) offer potentially fast, efficient, and fault-tolerant hardware for analog machine learning, but existing implementations are linear, severely limiting their capabilities. These systems differ significantly from artificial neural networks as well as the brain, so the feasibility and utility of incorporating nonlinear elements have not been explored. Here, we introduce a nonlinear CLLN—an analog electronic network made of self-adjusting nonlinear resistive elements based on transistors. We demonstrate that the system learns tasks unachievable in linear systems, including XOR (exclusive or) and nonlinear regression, without a computer. We find our decentralized system reduces modes of training error in order (mean, slope, curvature), similar to spectral bias in artificial neural networks. The circuitry is robust to damage, retrainable in seconds, and performs learned tasks in microseconds while dissipating only picojoules of energy across each transistor. This suggests enormous potential for fast, low-power computing in edge systems like sensors, robotic controllers, and medical devices, as well as manufacturability at scale for performing and studying emergent learning.

Science & Technology - Other Topics↗

Comparison of treatment strategies for Space Motion Sickness

Treatment strategies for Space Motion Sickness were compared using the results of postflight oral debriefings. Standardized questionnaires were administered to all crewmembers immediately following Space Shuttle flights by NASA flight surgeons. Cases of Space Motion Sickness were graded as mild, moderate or severe based on published criteria, and medication effectiveness was judged based on subjective reports of symptom relief. Since October 1989, medication effectiveness is reported inflight through Private Medical Conferences with the crew. A symptom matrix was analyzed for 19 crewmembers treated with an oral combination of scopolamine and dextroamphetamine (scopdex) and 15 crewmembers treated with promethazine delivered by intramuscular (IM) or suppository routes. Scopdex has been given preflight as prophaxis for Space Motion Sickness but analysis showed delayed symptom presentation in 9 crewmembers or failed to prevent symptoms in 7. Only three crewmembers who took scopdex had no symptoms inflight. Fourteen out of 15 crewmembers treated with IM promethazine and 6 of 8 treated with promethazine suppositories after symptom development had immediate (within 12 h) symptom relief and required no additional medication. There were no cases of delayed symptom presentation in the crewmembers treated with promethazine. This response is in contrast to untreated crewmembers who typically have slow symptom resolution over 72-96 h. We conclude that promethazine is an effective treatment of Space Motion Sickness symptoms inflight. NASA policy currently recommends treating crewmembers with Space Motion Sickness after symptom development, and no longer recommends prophylaxis with scopdex due to delayed symptom development and apparent variable absorption of oral medications during early flight days.

STS Shuttle Project↗

Minimizing Segregation during the Controlled Directional Solidification of Dendric Alloys

Gravity-driven convection induced in the liquid by density gradients of temperature or composition disrupts uniform dendritic growth during controlled directional solidification and promotes severe macrosegregation. The solute-rich region about the dendrite tip appears to play a pivotal role in channel initiation. Allen and Hunt referred to this region as an "initial transient" or dynamic region constituting steep concentration gradients. Experimental investigation also point to the role the tip region plays in developing microstructure. Hellawell and co-workers showed that flow-through dendritic channels could be effectively disrupted, and segregation minimized, during the gradient freezing of bulk castings by rotating the melt through a slight angle with respect to Earth's gravity vector. Adapting this principle to controlled directional solidification, it has been shown" that segregation in dendritic alloys can be minimized, and properties improved, by processing the sample near horizontal in conjunction with a slow axial rotation of the crucible. It is postulated that the observed microstructural uniformity arises by maintaining the developing solute field about the dendrite tip. Solute rejected during vertical directional solidification will rise or sink parallel to the primary dendrite arms during axial rotation setting the stage for accumulation, instabilities, and segregation. In contrast, during horizontal growth, the rejected solute will sink or rise perpendicular to the primary dendrite. Now, in the presence of a slight axial rotation, solute that was initially sinking (or rising) will find itself above (or below) its parent dendrite, i.e., still about the tip region. The following is intended to experimentally demonstrate the viability of this concept in coordination with a model that gives predictive insight regarding solute distribution about growing dendrites. Alloys based on the lead-tin eutectic system were used in this study. The system is well characterized, the constituent metals are available in a very pure form, and the thermophysical properties are well known. During solidification of hypoeutectic alloys, e.g., 55 wt pct Pb, the primary dendrites reject the less dense tin, and for the hypereutectic alloys, e.g., 75 wt pct Sn, the primary dendrites reject denser lead. Alloys were prepared by melting appropriate amounts of lead and tin in a glass crucible after which the homogeneous liquid was sucked directly into 5-mm i.d. glass tubes. The sample tube, containing approximately 30 cm of alloy, was then mechanically driven into the directional solidification furnace assembly and positioned such that approx. 20 cm of the sample was remelted. Subsequently, directional solidification was initiated by withdrawing the sample through a water-cooled jacket at a constant growth velocity of 2 ,microns/s. After 5 to 6 cm of growth, the sample was quickly removed from the furnace and quenched in a water bath to preserve the solid-liquid interface. Samples were directionally solidified vertically upward, nearly horizontally, and some in conjunction with an applied axial rotation of the crucible. Temperature gradients at the solid-liquid interface were measured with an in-siru K-type thermocouple. Solidified samples were cut perpendicular and parallel to the growth direction and conventionally prepared for microscopic examination.

Grugel, Richard N.↗

The influence of cooling rates on strain phase diagrams and domain structures of ferroelectric thin films: A case study of PbTiO 3

Strain engineering has been established as an effective approach to control phase equilibria, domain configurations, and functional properties of ferroelectric thin films. Temperature-strain phase diagrams have been used as powerful tools for providing insights into strain engineering. However, almost all existing phase diagrams established using the phase-field approach assume quenching conditions without considering actual cooling rates during the post-deposition annealing process of ferroelectric thin films. Within this work, we systematically investigate the influence of cooling rates on domain structures and the strain-phase diagram of ferroelectric thin films using phase-field simulations, taking PbTiO 3 thin films as a model system. We found that both the position of phase boundaries in the strain phase diagrams and the domain morphology are significantly influenced by the cooling rates. It is revealed that while the paraelectric-ferroelectric phase boundary remains invariant, the phase boundaries between single-phase and multi-phase regions tend to shift toward the corresponding multi-phase region as the cool rate reduces. Slow cooling generally leads to more ordered domain structures with increased domain size. Using the obtained equilibrium domain structures, we calculated effective thermal conductivities and found significant variations that can be tuned by the cooling rates. In conclusion, this work reveals an underexplored yet critical impact of cooling rates on phase equilibria and domain structures in ferroelectric thin films, which may inspire further fine-tuning of domains and domain walls in low-dimensional ferroelectrics for multifunctional applications.

Domain structures↗

Rational engineering to enhance C8-fatty acid biosynthesis in Picosynechococcus sp. PCC 7002

Medium-chain fatty acids (e.g., C8-C14) are important biofuel precursors that can be produced from CO2 by cyanobacteria and other photoautotrophs. However, cyanobacteria naturally direct a relatively small fraction of fixed carbon to lipid synthesis, primarily producing long-chain membrane-bound fatty acids. We investigated whether mitigating kinetic bottlenecks within the fatty acid biosynthesis (FAB) pathway could enhance flux to free fatty acid (FFA) production in Picosynechococcus sp. PCC 7002. Previous in vitro studies proposed that the FAB initiating enzyme FabH is the primary rate-controlling enzyme in PCC 7002. We hypothesized that enhancing fatty acid initiation could increase in vivo FFA production while shifting the kinetic bottleneck further downstream in the pathway. We enabled C8-FFA accumulation by knocking out the native acyl-acyl carrier protein synthetase gene (aas) and expressing the highly active Cuphea palustris-derived mutant thioesterase CpFatB1.2-M4-287 (CupTE), which selectively catalyzes C8 chain termination. We then expressed the diatom-derived Chaetoceros sp. GSL56 FabH ortholog (chKASIII), to enhance initiation, and a medium-chain selective E. coli ketosynthase ecFabF[I108F] (ecFabF∗), to enhance elongation. When expressed individually or in combination with ecFabF∗, chKASIII slowed growth and decreased net carbon fixation rates relative to the parental Δaas-CupTE strain. However, co-expression of chKASIII, ecFabF∗, and CupTE redirected a larger fraction of fixed carbon toward FFA production, increasing relative carbon flux to C8-FFA and decreasing the projected minimum selling price by four-fold. This work demonstrates how systems metabolic engineering can be applied to enhance C8-FFA production in cyanobacteria while highlighting the unpredictable physiological consequences of host metabolic burden.

09 BIOMASS FUELS↗

Stormwater Storage and Retention Within an Urban Prairie Wetland Complex

Climate change is expected to increase the frequency and severity of flooding in the Great Lakes region. In many cities, flood-control infrastructure is insufficient to protect against future climate conditions. Consequently, there is increasing focus on stormwater storage provided by urban greenspace, such as wetlands and prairies, but the ecohydrological behavior of these ecosystems is not well understood when they are embedded within cities. To improve understanding of hydrological connectivity between urban areas and natural greenspaces, we deployed a sensor network in Gensburg Markham Prairie (GMP), a large intact prairie-wetland complex in south suburban Chicago. We used the resulting high-frequency time-series data to assess surface-subsurface hydrologic dynamics between upland and low-lying wetland areas, interactions between the prairie and surrounding environment, and stormwater storage provided by the prairie. Rapid infiltration within the prairie during and after storm events provides subsurface flow that stores considerable water, flattens storm hydrographs, and increases the wetland hydroperiod. Much of the stormwater input to GMP derives from the surrounding cityscape. Consequently, storage within the prairie-wetland system reduces and slows stormwater discharge to downstream urban communities. For a typical 5-year 24-hr storm with 10.9 cm of rain, GMP stores 77,100 m 3 , 64% greater than the estimated direct rainfall volume onto the prairie, yielding 30,000 m 3 of offsite stormwater storage. This improved understanding of ecohydrological dynamics in urban prairies and wetlands informs the design and implementation of green infrastructure to meet growing needs for stormwater management.

Rivera, Vivien Anne [Northwestern University, Evan↗

Panoramic attitude sensor for Radio Astronomy Explorer B

An instrument system to acquire attitude determination data for the RAE-B spacecraft was designed and built. The system consists of an electronics module and two optical scanner heads. Each scanner head has an optical scanner with a field of view of 0.7 degrees diameter which scans the sky and measures the position of the moon, earth and sun relative to the spacecraft. This scanning is accomplished in either of two modes. When the spacecraft is spinning, the scanner operates in spherical mode, with the spacecraft spin providing the slow sweep of lattitude to scan the entire sky. After the spacecraft is placed in lunar orbit and despun, the scanner will operate in planar mode, advancing at a rate of 5.12 seconds per revolution in a fixed plane parallel to the spacecraft Z axis. This scan will cross and measure the moon horizons with every revolution. Each scanner head also has a sun slit which is aligned parallel to the spin axis of the spacecraft and which provides a sun pulse each revolution of the spacecraft. The electronics module provides the command and control, data processing and housekeeping functions.

Thomsen, R.↗

The human respiratory gate

Respiratory activity phasically alters membrane potentials of preganglionic vagal and sympathetic motoneurones and continuously modulates their responsiveness to stimulatory inputs. The most obvious manifestation of this 'respiratory gating' is respiratory sinus arrhythmia, the rhythmic fluctuations of electrocardiographic R-R intervals observed in healthy resting humans. Phasic autonomic motoneurone firing, reflecting the throughput of the system, depends importantly on the intensity of stimulatory inputs, such that when levels of stimulation are low (as with high arterial pressure and sympathetic activity, or low arterial pressure and vagal activity), respiratory fluctuations of sympathetic or vagal firing are also low. The respiratory gate has a finite capacity, and high levels of stimulation override the ability of respiration to gate autonomic responsiveness. Autonomic throughput also depends importantly on other factors, including especially, the frequency of breathing, the rate at which the gate opens and closes. Respiratory sinus arrhythmia is small at rapid, and large at slow breathing rates. The strong correlation between systolic pressure and R-R intervals at respiratory frequencies reflects the influence of respiration on these two measures, rather than arterial baroreflex physiology. A wide range of evidence suggests that respiratory activity gates the timing of autonomic motoneurone firing, but does not influence its tonic level. I propose that the most enduring significance of respiratory gating is its use as a precisely controlled experimental tool to tease out and better understand otherwise inaccessible human autonomic neurophysiological mechanisms.

Review↗

Investigation of mode activity in NBI-heated experiments of Wendelstein 7-X

The 2018 operation phase (OP 1.2b) of the stellarator Wendelstein 7-X (W7-X) included, for the first time, neutral beam injection (NBI) to heat the plasma. Since the injection geometry at W7-X is not parallel, this generates both passing and trapped fast particles. During longer phases of NBI injection, with the primary purpose to study the heating efficiency of this system, Alfvén eigenmodes (AEs) were observed by a number of diagnostics, including the phase contrast imaging (PCI) system, the magnetic pick-up coils (Mirnov coils), and the soft x-ray multi-camera tomography system (XMCTS). Alfvén eigenmodes are of great interest for future fusion reactors as it has been shown that the resonant interaction of fast ions with self-excited AEs can lead to enhanced transport of fast ions and potentially to energy losses. This is especially true for so-called gap-modes, Alfvén eigenmodes with frequencies in gaps of the continuous spectrum, since they lack continuum damping. These modes are commonly known to be excited by fast ions, but other destabilizing mechanisms, e.g. the electron-pressure gradient are also possible. In this article we present a first analysis of the experimentally observed frequencies from the theoretical side. The calculation of shear Alfvén wave continua for selected cases and the assignment of observed frequencies to the gaps of the continuous spectra are presented. Using the ideal-MHD code CKA (Könies A. 2007 10th IAEA TM on Energetic Particles in Magnetic Confinement System), we find gap modes that match the experimental measurements in terms of the observed frequencies. We emphasize the crucial roles played by the coupling of sound and Alfvén waves as well as of the Doppler shift arising as a consequence of the radial electric field in W7-X. We employ the perturbative gyrokinetic code CKA-EUTERPE (Feh´er 2013 Simulation of the interaction between Alfv´en waves and fast particles), using a slowing-down distribution function for the fast ions as calculated by the Monte-Carlo particle following code ASCOT (Hirvijoki et al 2014 Comput. Phys. Commun. 185 1310–21) to assess the fast-ion drive. Here we find that the fast-ion drive is insufficient to overcome the background-plasma damping. The fact that unstable modes were observed experimentally may point to problems with the modelling or indicate the existence of other destabilizing mechanisms, e.g. associated with the electron-pressure gradient (Windisch et al 2017 Plasma Phys. Control. Fusion 59 105002) that sensitively depend on the profiles of the background plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Direct Measurement of the Selective Microwave-Induced Heating of Agglomerates of Dipolar Molecules: The Origin of and Parameters Controlling a Microwave Specific Superheating Effect

Agglomerates of polar molecules in nonpolar solvents are selectively heated by microwave radiation. The magnitude of the selective heating was directly measured by using the temperature dependence of the intensities of the Stokes and anti-Stokes bands in the Raman spectra of p-nitroanisole (pNA) and mesitylene. Under dynamic heating conditions, a large apparent temperature difference (ΔT) of over 100 °C was observed between the polar pNA solute and the nonpolar mesitylene solvent. This represents the first direct measurement of the selective microwave heating process. The magnitude of the selective microwave heating was affected by the properties of the agglomerated pNA. As the concentration of the pNA increases, the magnitude of the selective heating of the pNA was observed to decrease. This is explained by the tendency of the pNA dipoles to orient in an antiparallel fashion in the aggregates as measured by the Kirkwood g value, which decreased with increasing concentration. This effect reduces the net dipole moment of the agglomerates, which decreases the microwave absorption. After the radiation was terminated, the effective temperature of the dipolar molecules returned slowly to that of the medium. The slow heat transfer was modeled successfully by treating the solutions as a biphasic solvent/solute system. Based on modeling and the fact that the agglomerate can be heated above the boiling temperature of the solvent, an insulating layer of solvent vapor is suggested to form around the heated agglomerate, slowing convective heat transfer out of the agglomerate. Furthermore, this is an effect unique to microwave heating.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of a software interface for optical disk archival storage for a new life sciences flight experiments computer

The current Life Sciences Laboratory Equipment (LSLE) microcomputer for life sciences experiment data acquisition is now obsolete. Among the weaknesses of the current microcomputer are small memory size, relatively slow analog data sampling rates, and the lack of a bulk data storage device. While life science investigators normally prefer data to be transmitted to Earth as it is taken, this is not always possible. No down-link exists for experiments performed in the Shuttle middeck region. One important aspect of a replacement microcomputer is provision for in-flight storage of experimental data. The Write Once, Read Many (WORM) optical disk was studied because of its high storage density, data integrity, and the availability of a space-qualified unit. In keeping with the goals for a replacement microcomputer based upon commercially available components and standard interfaces, the system studied includes a Small Computer System Interface (SCSI) for interfacing the WORM drive. The system itself is designed around the STD bus, using readily available boards. Configurations examined were: (1) master processor board and slave processor board with the SCSI interface; (2) master processor with SCSI interface; (3) master processor with SCSI and Direct Memory Access (DMA); (4) master processor controlling a separate STD bus SCSI board; and (5) master processor controlling a separate STD bus SCSI board with DMA.

Bartram, Peter N.↗

IDAES-PSE 2.6.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.6.0 Release Highlights Upcoming Changes IDAES will be switching to the new Pyomo solver interface in the next release. Whilst this will hopefully be a smooth transition for most users, there are a few important changes to be aware of. The new solver interface uses a different version of the IPOPT writer (“ipopt_v2”) and thus any custom configuration options you might have set for IPOPT will not carry over and will need to be reset. By default, the new Pyomo linear presolver will be activated with ipopt_v2. Whilst are working to identify any bugs in the presolver, it is possible that some edge cases will remain. IDAES will begin deploying a new set of scaling tools and APIs over the next few releases that make use of the new solver writers. The old scaling tools and APIs will remain for backward compatibility but will begin to be deprecated. New Models, Tools and Features New Intersphinx extension automatically linking Jupyter notebook examples to project documentation New end-to-end diagnostics example demonstrated on a real problem New complementarity formulation for VLE with cubic equations of state, backward compatibility for old formulation New solver interface with presolve (ipopt_v2) in support of upcoming changes to the initialization and APIs methods, with default set to ipopt to maintain backwards compatibility; this will deprecate once all examples have been updated New forecaster and parameterized bidder methods within grid integration library Updated surrogates API and examples to support Keras 3, with backwards compatibility for older formats such as TensorFlow SavedModel (TFSM) Updated costing base dictionary to include the 2023 cost year index value Updated ProcessBlock to include information on the constructing block class Updated Flowsheet Visualizer to allow visualize() method to return value and functions Bug Fixes Fixed bug in the Modular Property Framework that would cause errors when trying to use phase-based material balances with phase equilibria. Fixed bug in Modular Properties Framework that caused errors when initializing models with non-vapor-liquid phase equilibria. Fixed typos flagged by June update to crate-ci/typos and removed DMF-related exceptions Minor corrections of units of measurement handling in power plant waste/transport costing expressions, control volume material holdup expressions, and BTX property package parameters Fixed throwing >7500 numpy deprecation warnings by replacing scalar value assignment with element extraction and item iteration calls Testing and Robustness Migrated slow tests (>10s) to integration, impacting test coverage but also yielding a nearly 30% decrease in local test runtime Pinned pint to avoid issues with older supported Python versions Pinned codecov versions to avoid tokenless upload behavior with latest version Bumped extensions to version 3.4.2 to allow pointing to non-standard install location Deprecations and Removals Python 3.8 is no longer supported. The supported Python versions are 3.9 through 3.12 The Data Management Framework (DMF) is no longer supported. Importing idaes.core.dmf will cause a deprecation warning to be displayed until the next release The SOFC Keras surrogates have been removed. The current version of the SOFC surrogate model in the examples repository is a PySMO Kriging model.

AS↗

Interpreting Assemblages with Titanite (Sphene): It Does not have to be Greek to You.

Assemblages with titanite, pyroxene(s), olivine, ilmenite, magnetite, and quartz can be used to constrain the intensive and compositional variables that operate during crystallization. Such assemblages are relatively rare in metamorphic rocks, but they are more common in igneous rocks and more frequently reported in plutonic than volcanic rocks. We used the program QUILF, enhanced with thermodynamic data for titanite, to compute stable reactions among titanite (CaTiOSiO4), Fe-Mg-Ti ilmenite and magnetite (hereafter ilmenite and magnetite), Ca-Mg-Fe pyroxenes and olivine, and quartz, and to evaluate some of the factors that control titanite stability. Calculations at 1, 3, and 6 Kbar and 650, 850, 1100 0 C, in the system CaO - MgO - FeO Fe2O3 - TiO2 - SiO2, suggest that the reactions: Augitc + Ilmenite = Titanite + Magnetite + Quartz and Augite + Ilmenite + Quartz = Titanite + Orthopyroxene, impose well defined fugacity of O2, alpha(sub SiO2), , and compositional restrictions to the assemblages: (1) Titanite + Magnetite + Quartz, (2) Titanite + Orthopyroxene, (3) Augite + Ilmenite, and consequently titanite stability. From our calculations in this system we can draw the following general conclusions: (1) The assemblage Titanite + Magnetite + Quartz is always a good indicator of relatively high fugacity of O2, and it is likely more common in relatively iron-rich bulk compositions and for decreasing temperature and pressure conditions. (2) At high temperatures (>= 650 C) titanite is not stable in quartz-saturated rocks that contain the assemblage Orthopyroxene + Augite + Ilmenite + Magnetite. (3) In quartz-saturated rocks the coexistence of titanite and magnetite with either orthopyroxene or olivine requires a confluence of conditions relating bulk composition, fugacity of O2, and slow cooling. Thus, such assemblages must be rare. (4) Regardless of T and fugacity of O2 conditions, and bulk-composition, titanite is not stable in quartz-absent rocks that contain Olivine + Orthopyroxene + Augite + Ilmenite + Magnetite. Decreasing temperature and pressure conditions appear to favor titanite crystallization, thus, it is not unsurprising that titanite is frequently observed in slowly cooled rocks, albeit, in association with amphibole. We argue that the titanite + amphibole association is likely favored by high water activity, regardless of oxygen fugacity. Because water activity increases during crystallization of a pluton, the association titanite + amphibole, and consequently titanite, is likely to be more common in plutonic rocks than in volcanic rocks.

Xirouchakis, Dimitrios M.↗

Predictive Interfaces for Long-Distance Tele-Operations

We address the development of predictive tele-operator interfaces for humanoid robots with respect to two basic challenges. Firstly, we address automating the transition from fully tele-operated systems towards degrees of autonomy. Secondly, we develop compensation for the time-delay that exists when sending telemetry data from a remote operation point to robots located at low earth orbit and beyond. Humanoid robots have a great advantage over other robotic platforms for use in space-based construction and maintenance because they can use the same tools as astronauts do. The major disadvantage is that they are difficult to control due to the large number of degrees of freedom, which makes it difficult to synthesize autonomous behaviors using conventional means. We are working with the NASA Johnson Space Center's Robonaut which is an anthropomorphic robot with fully articulated hands, arms, and neck. We have trained hidden Markov models that make use of the command data, sensory streams, and other relevant data sources to predict a tele-operator's intent. This allows us to achieve subgoal level commanding without the use of predefined command dictionaries, and to create sub-goal autonomy via sequence generation from generative models. Our method works as a means to incrementally transition from manual tele-operation to semi-autonomous, supervised operation. The multi-agent laboratory experiments conducted by Ambrose et. al. have shown that it is feasible to directly tele-operate multiple Robonauts with humans to perform complex tasks such as truss assembly. However, once a time-delay is introduced into the system, the rate of tele\ioperation slows down to mimic a bump and wait type of activity. We would like to maintain the same interface to the operator despite time-delays. To this end, we are developing an interface which will allow for us to predict the intentions of the operator while interacting with a 3D virtual representation of the expected state of the robot. The predictive interface anticipates the intention of the operator, and then uses this prediction to initiate appropriate sub-goal autonomy tasks.

Wheeler, Kevin R.↗