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All sources NASA NTRS DOE OSTI

DOE OSTI2021

NENCI-2021. I. A large benchmark database of non-equilibrium non-covalent interactions emphasizing close intermolecular contacts

In this work, we present NENCI-2021, a benchmark database of ~8000 Non-Equilibirum Non-Covalent Interaction energies for a large and diverse selection of intermolecular complexes of biological and chemical relevance. To meet the growing demand for large and high-quality quantum mechanical data in the chemical sciences, NENCI-2021 starts with the 101 molecular dimers in the widely used S66 and S101 databases and extends the scope of these works by (i) including 40 cation–π and anion–π complexes, a fundamentally important class of non-covalent interactions that are found throughout nature and pose a substantial challenge to theory, and (ii) systematically sampling all 141 intermolecular potential energy surfaces (PESs) by simultaneously varying the intermolecular distance and intermolecular angle in each dimer. Designed with an emphasis on close contacts, the complexes in NENCI-2021 were generated by sampling seven intermolecular distances along each PES (ranging from 0.7× to 1.1× the equilibrium separation) and nine intermolecular angles per distance (five for each ion–π complex), yielding an extensive database of 7763 benchmark intermolecular interaction energies (E int ) obtained at the coupled-cluster with singles, doubles, and perturbative triples/complete basis set [CCSD(T)/CBS] level of theory. The E int values in NENCI-2021 span a total of 225.3 kcal/mol, ranging from -38.5 to +186.8 kcal/mol, with a mean (median) E int value of -1.06 kcal/mol (-2.39 kcal/mol). In addition, a wide range of intermolecular atom-pair distances are also present in NENCI-2021, where close intermolecular contacts involving atoms that are located within the so-called van der Waals envelope are prevalent—these interactions, in particular, pose an enormous challenge for molecular modeling and are observed in many important chemical and biological systems. A detailed symmetry-adapted perturbation theory (SAPT)- based energy decomposition analysis also confirms the diverse and comprehensive nature of the intermolecular binding motifs present in NENCI-2021, which now includes a significant number of primarily induction-bound dimers (e.g., cation–π complexes). NENCI-2021 thus spans all regions of the SAPT ternary diagram, thereby warranting a new four-category classification scheme that includes complexes primarily bound by electrostatics (3499), induction (700), dispersion (1372), or mixtures thereof (2192). A critical error analysis performed on a representative set of intermolecular complexes in NENCI-2021 demonstrates that the E int values provided herein have an average error of ±0.1 kcal/mol, even for complexes with strongly repulsive E int values, and maximum errors of ±0.2–0.3 kcal/mol (i.e., ~±1.0 kJ/mol) for the most challenging cases. For these reasons, we expect that NENCI-2021 will play an important role in the testing, training, and development of next-generation classical and polarizable force fields, density functional theory approximations, wavefunction theory methods, and machine learning based intra- and inter-molecular potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2004

Chirped-Superlattice, Blocked-Intersubband QWIP

An Al(x)Ga(1-x)As/GaAs quantum-well infrared photodetector (QWIP) of the blocked-intersubband-detector (BID) type, now undergoing development, features a chirped (that is, aperiodic) superlattice. The purpose of the chirped superlattice is to increase the quantum efficiency of the device. A somewhat lengthy background discussion is necessary to give meaning to a brief description of the present developmental QWIP. A BID QWIP was described in "MQW Based Block Intersubband Detector for Low-Background Operation" (NPO-21073), NASA Tech Briefs Vol. 25, No. 7 (July 2001), page 46. To recapitulate: The BID design was conceived in response to the deleterious effects of operation of a QWIP at low temperature under low background radiation. These effects can be summarized as a buildup of space charge and an associated high impedance and diminution of responsivity with increasing modulation frequency. The BID design, which reduces these deleterious effects, calls for a heavily doped multiple-quantum-well (MQW) emitter section with barriers that are thinner than in prior MQW devices. The thinning of the barriers results in a large overlap of sublevel wave functions, thereby creating a miniband. Because of sequential resonant quantum-mechanical tunneling of electrons from the negative ohmic contact to and between wells, any space charge is quickly neutralized. At the same time, what would otherwise be a large component of dark current attributable to tunneling current through the whole device is suppressed by placing a relatively thick, undoped, impurity-free AlxGa1 x As blocking barrier layer between the MQW emitter section and the positive ohmic contact. [This layer is similar to the thick, undoped Al(x)Ga(1-x)As layers used in photodetectors of the blocked-impurity-band (BIB) type.] Notwithstanding the aforementioned advantage afforded by the BID design, the responsivity of a BID QWIP is very low because of low collection efficiency, which, in turn, is a result of low electrostatic- potential drop across the superlattice emitter. Because the emitter must be electrically conductive to prevent the buildup of space charge in depleted quantum wells, most of the externally applied bias voltage drop occurs across the blocking-barrier layer. This completes the background discussion. In the developmental QWIP, the periodic superlattice of the prior BID design is to be replaced with the chirped superlattice, which is expected to provide a built-in electric field. As a result, the efficiency of collection of photoexcited charge carriers (and, hence, the net quantum efficiency and thus responsivity) should increase significantly.

Gunapala, Sarath↗

DOE OSTI2022

A trapping tolerant drain current based temperature measurement of β -Ga 2 O 3 MOSFETs

The drain current temperature dependence is an efficient way to determine the channel temperature in semiconductor devices; however, it has been challenging to use due to the potential interference of trapping effects. A trapping tolerant method is proposed, illustrated here for Ga 2 O 3 MOSFETs, making in situ temperature measurements possible, allowing a thermal resistance of 59 K∙mm/W to be measured in Ga 2 O 3 MOSFETs. However, neglecting the effect of trapping causes an error of ~15% in the channel temperature measured using the drain current. 3D simulations show that the measured channel temperature is the average temperature value between source and drain contact.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Thermally induced PtOx interfacial layer enhances stability of Pt/β-Ga2O3 vertical Schottky diodes

This study investigates the long-term stability of Pt/β-Ga2O3 field-plated Schottky barrier diodes at high temperatures, with extended thermal cycling and soaking stress. The device characteristics reveal a strong dependence on operating temperature, leading to an ON/OFF current ratio of ∼10× at ±3 V and 600 °C. Extensive thermal cycling (25 cycles over 100 h) between room temperature and 350 °C shows that leakage currents stabilize after the initial ten cycles. This stabilization is likely due to the formation of a thin PtOx layer at the Pt/β-Ga2O3 interface, as confirmed by high-resolution scanning transmission electron microscopy. Further exposure to a constant 350 °C environment for 10 h reveals a slight increase in the leakage current from 10−7 to 10−6 A at −5 V and degradation of the forward current, due to potential thermodynamic instability of the Ohmic contacts. This study provides insights into the changes in the Pt/β-Ga2O3 diode performance with thermal stress, offering a basis for predicting the device’s operational reliability at high temperatures for sensing and power applications.

08 HYDROGEN↗

DOE OSTI2024

The Interplay of Solvation and Polarization Effects on Ion Pairing in Nanoconfined Electrolytes

The nature of ion–ion interactions in electrolytes confined to nanoscale pores has important implications for energy storage and separation technologies. However, the physical effects dictating the structure of nanoconfined electrolytes remain debated. Here we employ machine-learning-based molecular dynamics simulations to investigate ion–ion interactions with density functional theory level accuracy in a prototypical confined electrolyte, aqueous NaCl within graphene slit pores. We find that the free energy of ion pairing in highly confined electrolytes deviates substantially from that in bulk solutions, observing a decrease in contact ion pairing but an increase in solvent-separated ion pairing. These changes arise from an interplay of ion solvation effects and graphene’s electronic structure. Notably, the behavior observed from our first-principles-level simulations is not reproduced even qualitatively with the classical force fields conventionally used to model these systems. The insight provided in this work opens new avenues for predicting and controlling the structure of nanoconfined electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Recent developments on 2D magnetic materials: challenges and opportunities

The emergence of two-dimensional (2D) magnetic materials exhibiting strong magnetization at ultrathin limits above room temperature are promising for miniaturization of devices beyond Moore’s law for future energy efficient nano-electronic devices. Here, the current status, different mechanisms for the existence of magnetism, spin current injection and other magnetic properties of monolayer to few-layers of various 2D magnetic materials are reviewed. Some of the promising applications of these materials are spintronics devices such as spin valves, spin tunnel field-effect transistors, and spin filtering magnetic tunnel junctions. Due to the tunable electronic properties of these 2D materials, it's quite interesting to inject the spin current with suitable ferromagnetic contacts. For instance,black phosphorus is a layered material with a small Schottky barrier height capable of injecting spin current. This review includes many recently explored 2D magnetic materials ranging from exfoliated 2D crystals to CVD grown materials from single to several layers, demonstrating tunable layer dependent magnetic properties. We also explore some of the promising theoretical study based on 2D magnetic compounds such as 2D alkali-based chromium chalcogenides, which shows ferromagnetic as well as semiconducting behavior. The layer-dependent magnetic ordering has been observed in layered compounds like 1T-CrTe 2 , VSe 2 , CrI 3 , and Fe 3 GeTe 2 , which have great potential for the future applications in magnetic based electronic devices. Finally, we emphasize the challenges, opportunities and future directions of the 2D magnetic materials, where new discoveries might have outstanding impact in transformational scientific breakthroughs towards memory, spintronics, optoelectronics and other multifunctional device applications.

36 MATERIALS SCIENCE↗

DOE OSTI2022

On the differential representation and color-kinematics duality of AdS boundary correlators

The AdS boundary correlators and their dual correlation functions of boundary operators have been the main dynamic observables of the holographic duality relating a bulk AdS theory and a boundary conformal field theory. We show that tree-level AdS boundary correlators for generic states can be expressed as nonlocal differential operators of a certain structure acting on contact Witten diagrams. We further write the boundary correlators in a form that is very similar to flat space amplitudes, with Mandelstam variables replaced by certain combinations of single-state conformal generators, prove that all tree-level AdS boundary correlators have a differential representation, and detail the conversion of such differential expressions to position space. We illustrate the construction through the computation of the boundary correlators of scalars coupled to gluons and gravitons; when converted to position space, they reproduce known results. Color-kinematics duality and BCJ relations can be defined in analogy with their flat space counterparts, and are respected by the scalar correlators with a gluon exchange. We also discuss potential approaches to the double copy and find that its direct generalization may require nontrivial extensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Ultrawide bandgap vertical β-(Al x Ga1 −x )2O3 Schottky barrier diodes on free-standing β-Ga2O3 substrates

Ultrawide bandgap β-(AlxGa1−x)2O3 vertical Schottky barrier diodes on (010) β-Ga2O3 substrates are demonstrated. The β-(AlxGa1−x)2O3 epilayer has an Al composition of 21% and a nominal Si doping of 2 × 1017 cm−3 grown by molecular beam epitaxy. Pt/Ti/Au has been employed as the top Schottky contact, whereas Ti/Au has been utilized as the bottom Ohmic contact. The fabricated devices show excellent rectification with a high on/off ratio of ∼109, a turn-on voltage of 1.5 V, and an on-resistance of 3.4 mΩ cm2. Temperature-dependent forward current-voltage characteristics show effective Schottky barrier height varied from 0.91 to 1.18 eV while the ideality factor from 1.8 to 1.1 with increasing temperatures, which is ascribed to the inhomogeneity of the metal/semiconductor interface. The Schottky barrier height was considered a Gaussian distribution of potential, where the extracted mean barrier height and a standard deviation at zero bias were 1.81 and 0.18 eV, respectively. A comprehensive analysis of the device leakage was performed to identify possible leakage mechanisms by studying temperature-dependent reverse current-voltage characteristics. At reverse bias, due to the large Schottky barrier height, the contributions from thermionic emission and thermionic field emission are negligible. By fitting reverse leakage currents at different temperatures, it was identified that Poole–Frenkel emission and trap-assisted tunneling are the main leakage mechanisms at high- and low-temperature regimes, respectively. Electrons can tunnel through the Schottky barrier assisted by traps at low temperatures, while they can escape these traps at high temperatures and be transported under high electric fields. This work can serve as an important reference for the future development of ultrawide bandgap β-(AlxGa1−x)2O3 power electronics, RF electronics, and ultraviolet photonics.

Materials Science↗

NASA NTRS2011

Microwave Tissue Soldering for Immediate Wound Closure

A novel approach for the immediate sealing of traumatic wounds is under development. A portable microwave generator and handheld antenna are used to seal wounds, binding the edges of the wound together using a biodegradable protein sealant or solder. This method could be used for repairing wounds in emergency settings, by restoring the wound surface to its original strength within minutes. This technique could also be utilized for surgical purposes involving solid visceral organs (i.e., liver, spleen, and kidney) that currently do not respond well to ordinary surgical procedures. A miniaturized microwave generator and a handheld antenna are used to deliver microwave energy to the protein solder, which is applied to the wound. The antenna can be of several alternative designs optimized for placement either in contact with or proximity to the protein solder covering the wound. In either case, optimization of the design includes the matching of impedances to maximize the energy delivered to the protein solder and wound at a chosen frequency. For certain applications, an antenna could be designed that would emit power only when it is in direct contact with the wound. The optimum frequency or frequencies for a specific application would depend on the required depth of penetration of the microwave energy. In fact, a computational simulation for each specific application could be performed, which would then match the characteristics of the antenna with the protein solder and tissue to best effect wound closure. An additional area of interest with potential benefit that remains to be validated is whether microwave energy can effectively kill bacteria in and around the wound. Thus, this may be an efficient method for simultaneously sterilizing and closing wounds. Using microwave energy to seal wounds has a number of advantages over lasers, which are currently in experimental use in some hospitals. Laser tissue welding is unsuitable for emergency use because its large, bulky equipment cannot be easily moved between operating rooms, let alone relocated to field sites where emergencies often occur. In addition, this approach is highly dependent on the uniformity and thickness of the protein solder as well as the surgeon s skills. In contrast, the use of microwave energy is highly tolerant of the thickness of the protein solder, level of fluids in and around the wound, and other parameters that can adversely affect the outcome of laser welding. However, controlling the depth of penetration of the microwave energy into the wound is critical for achieving effective wound sealing without damaging the adjacent tissue. In addition, microspheres that encapsulate metallic cores could also be incorporated into the protein solder to further control the depth of penetration of the microwave energy.

Arndt, G. Dickey↗

NASA NTRS2012

Astrobiological Journeys to and from the South Polar Sea of Enceladus - Bidirectional Interactions with the Saturn Magnetosphere

The spectacularly cryovolcanic moon Enceladus is a major source of plasma for the Saturn magnetosphere via ionization of the ejected molecular species and ice grains. Field-aligned plasma flows from the Enceladus environment visibly impact the moon's magnetic footpoint in Saturn's polar auroral region, while water group and other ions from the moon emissions diffuse radially throughout the magnetosphere and may be the dominant source of oxygen for Titan's oxygen-poor upper atmosphere. But the moon-magnetosphere interaction is bidirectional in the sense that the moon surface is globally exposed to constant irradiation by the returning magnetospheric ions and by energetic electrons from the field-aligned and radially diffusing populations. The returning ion source operates both on global scales of the magnetosphere and locally for highly reactive species produced in the ejecta plume. All of these sources likely combine to produce a highly oxidized global surface layer. Since plasma electrons and ions are cooled by interaction with neutral gas and E-ring ice grains from Enceladus, the moon emissions have a governing effect on the seed populations of energetic particles that irradiate the surface. The proposed subsurface polar sea and transient crustal overturn in the south polar region could bring the polar surface oxidants into contact with hydrocarbons and ammonia to make oxidation product gases contributing to the cryovolcanic jets, a process first proposed by Cooper et al. (Plan. Sp. Sci., 2009). As has been previously suggested for Europa, the 'oxidants could contribute to enhanced astrobiological potential of Enceladus, perhaps even higher than for Europa where organic hydrocarbons have not yet been directly detected. Unlike Europa, Enceladus shows no sign of an oxygen-dominated exosphere that could otherwise be indicative of extreme surface and interior oxidation inhibiting the detectable survival and evolution of complex organics.

Cooper, John F.↗

DOE OSTI2025

Unequal {110} Facets: The Potential Role of Intraparticle Heterogeneity and Facet Termination in Photoelectrochemical Activity of Single BiVO 4 Particles

BiVO 4 photoanodes are promising for solar water splitting, with photogenerated electrons and holes preferentially reacting at top {010} and lateral {110} facets, respectively. However, the mechanisms driving this facet-dependent reactivity remain unclear. Here, in this study, we investigate facet-dependent photocurrent and material heterogeneity using correlative scanning photoelectrochemical microscopy (SPCM), electron beam induced current (EBIC) mapping, and mid-IR scattering scanning near-field optical microscopy (s-SNOM). SPCM measurements of 62 BiVO 4 particles confirmed higher photocurrents at lateral {110} facets compared to top {010} facets, but unexpectedly revealed variations in photocurrent among lateral facets within the same particle. Variations in lateral facet surface termination could explain the intraparticle-level reactivity heterogeneity, consistent with theoretical predictions. Nano-FTIR spectroscopy and Raman microspectroscopy indicated significant materials chemistry heterogeneity within individual particles and facets that could be attributed to variations in lattice vibration distortions that enhance the overlap between Bi 6s and O 2p orbitals. The increased orbital overlap is significant as it potentially increases hole mobility in the valence band and potentially explains the lateral facet-dependent charge separation efficiency observed in photocurrent maps. Facet-dependent electrical and EBIC measurements showed no space charge regions at interfacet junctions or metal-BiVO 4 contacts under vacuum, suggesting that photogenerated holes beneath top {010} facets are unlikely to transport to lateral {110} facets to drive water/sulfite oxidation. These findings indicate the potential influence of distinct bulk properties and surface termination chemistries across different particles and facets, highlighting the importance of carefully controlling defects and surface chemistry during sample growth to optimize photocatalytic performance.

BiVO4↗

DOE OSTI2021

Modeling protein structures from predicted contacts with modern molecular dynamics potentials: accuracy, sensitivity, and refinement

Protein structure prediction has become increasingly popular and successful in recent years. An essential step for fragment-free, template-free methods is the generation of a final three-dimensional protein model from a set of predicted amino acid contacts that are often described by interresidue pairwise atomic distances. Here we explore the use of modern, open-source molecular dynamics (MD) engines, which have been continually developed over the last three decades with all-atom Hamiltonians to model biomolecular structure and dynamics, to generate accurate protein structures starting from a set of inferred pairwise distances. Additionally, the ability of MD empirical physical potentials to correct inaccuracies in the predicted geometries is tested. We rigorously characterize the effect of modeling parameters on results, the effect of different amounts of error in the predicted distances on the final structures, and test the ability of post-processing analysis to sort the best models out of a set of statistical replicas. We find that with exact distances and with noisy distances, the method can produce excellent structural models, and that the molecular dynamics force field seems to help correct errors in distance predictions, resisting the effects of applied noise.

Davidson, Russ↗

DOE OSTI2020

Light mesons within the basis light-front quantization framework

In this work, we study the light-unflavored mesons as relativistic bound states in the nonperturbative Hamiltonian formalism of the basis light-front quantization approach. The dynamics for the valence quarks of these mesons is specified by an effective Hamiltonian containing the one-gluon exchange interaction and the confining potentials both introduced in our previous work on heavy quarkonia, supplemented additionally by a pseudoscalar contact interaction. We diagonalize this Hamiltonian in our basis function representation to obtain the mass spectrum and the light-front wave functions (LFWFs). Based on these LFWFs, we then study the structure of these mesons by computing the electromagnetic form factors, the decay constants, the parton distribution amplitudes, and the parton distribution functions. Our results are comparable to those from experiments and other theoretical models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Electrochemical grand potential-based phase-field simulation of electric field-assisted sintering

Here, an electrochemical grand potential functional was proposed to describe the sintering of an ionic ceramic green body. The resultant phase-field description enables simulation of the consolidation of an arbitrary number of granular particles and their interactions with the surrounding void phase. The model includes the effects of charged vacancies and the associated interactions between internal and applied electric fields. Defect segregation to grain boundaries is also accounted for, as well as enhanced interfacial defect mobilities. The model was parameterized for Y 2 O 3 . Simulations of two-particle systems showed that the applied electric field had an increasingly important impact on neck growth as particle size increased. A sudden rapid increase in temperature occurred for larger field strengths, which has been reported to be correlated to the onset of a flash event in flash sintering. Simulations of many particles showed that internal heat generation by Joule heating was localized at particle–particle contacts (grain boundaries), even though their conductivities were lower than nearby internal particle-void interfaces. A percolative path for ionic charge across the green body and the ceramic sintered solid was thus defined, accelerating the Joule heating process as the porosity of the green body is removed.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Contrasting the characteristics of atmospheric pressure plasma jets operated with single and double dielectric material: physicochemical characteristics and application to bacterial killing

Abstract This study reports an experimental comparison of two types of atmospheric pressure plasma jets in terms of their fundamental plasma characteristics and efficacy in bacterial sterilization. The plasma jets are fabricated by inserting a high voltage electrode inside a one-end closed (double DBD plasma jet) or both ends open (single DBD plasma jet) quartz tubes which are further enclosed inside a second quartz tube containing a ground electrode. Both plasma jets are operated in contact with water surface by using a unipolar pulsed DC power supply with helium as the working gas. Results from electrical and time-resolved imaging show that the single DBD configuration induces 3–4 times higher accumulation of charges onto the water surface with significantly faster propagation of plasma bullets. These results are accompanied by the higher discharge intensity as well as stronger emissions from short-lived reactive species which were analyzed through optical emission spectroscopy at the plasma-water interface. The rotational temperature for the single DBD configuration was observed to be higher making it unsafe for direct treatments of sensitive biological targets. These characteristics of the single DBD configuration result in the production of more than two times higher concentration of H 2 O 2 in plasma activated water. Shielding of the HV electrode reduces the plasma potential which in turn reduces the electric field & electron energy at the plasma-water interface. The reduced electric field for the double DBD configuration was lower by ≈463 Td than the single DBD configuration. The bactericidal efficacy of the two configurations of the plasma jets were tested against Escherichia coli , a well studied Gram-negative bacterium that can be commensal and pathogenic in human body. Our results demonstrate that although single DBD plasma jet result in stronger antibacterial effects, the double DBD configuration could be safer.

Physics↗

NASA NTRS2001

Simulation of MEMS for the Next Generation Space Telescope

The NASA Goddard Space Flight Center (GSFC) is developing optical micro-electromechanical system (MEMS) components for potential application in Next Generation Space Telescope (NGST) science instruments. In this work, we present an overview of the electro-mechanical simulation of three MEMS components for NGST, which include a reflective micro-mirror array and transmissive microshutter array for aperture control for a near infrared (NIR) multi-object spectrometer and a large aperture MEMS Fabry-Perot tunable filter for a NIR wide field camera. In all cases the device must operate at cryogenic temperatures with low power consumption and low, complementary metal oxide semiconductor (CMOS) compatible, voltages. The goal of our simulation efforts is to adequately predict both the performance and the reliability of the devices during ground handling, launch, and operation to prevent failures late in the development process and during flight. This goal requires detailed modeling and validation of complex electro-thermal-mechanical interactions and very large non-linear deformations, often involving surface contact. Various parameters such as spatial dimensions and device response are often difficult to measure reliably at these small scales. In addition, these devices are fabricated from a wide variety of materials including surface micro-machined aluminum, reactive ion etched (RIE) silicon nitride, and deep reactive ion etched (DRIE) bulk single crystal silicon. The above broad set of conditions combine to be a formidable challenge for space flight qualification analysis. These simulations represent NASA/GSFC's first attempts at implementing a comprehensive strategy to address complex MEMS structures.

Mott, Brent↗

NASA NTRS2006

Simulation Assisted Risk Assessment: Blast Overpressure Modeling

A probabilistic risk assessment (PRA) approach has been developed and applied to the risk analysis of capsule abort during ascent. The PRA is used to assist in the identification of modeling and simulation applications that can significantly impact the understanding of crew risk during this potentially dangerous maneuver. The PRA approach is also being used to identify the appropriate level of fidelity for the modeling of those critical failure modes. The Apollo launch escape system (LES) was chosen as a test problem for application of this approach. Failure modes that have been modeled and/or simulated to date include explosive overpressure-based failure, explosive fragment-based failure, land landing failures (range limits exceeded either near launch or Mode III trajectories ending on the African continent), capsule-booster re-contact during separation, and failure due to plume-induced instability. These failure modes have been investigated using analysis tools in a variety of technical disciplines at various levels of fidelity. The current paper focuses on the development and application of a blast overpressure model for the prediction of structural failure due to overpressure, including the application of high-fidelity analysis to predict near-field and headwinds effects.

Lawrence, Scott L.↗

NASA NTRSDate not supplied

Feasibility Study of a Robotic Science Arm on Future Martian Rotorcraft

Science arms are indispensable tools for planetary exploration, allowing vehicles to interact with and manipulate their surroundings in a manner similar to a human field geologist. A majority of the rovers and landers sent to Mars, beginning with Viking I and II in 1976, have made extensive use of these articulated, arm-like devices that allow for sample collection, surface preparation, instrument positioning, and the deployment of ground-contact sensors. Although proven useful, traditional rovers and landers are limited by the rough and difficult terrain of Mars. However, given the successful demonstration of flight on Mars by the Ingenuity helicopter, efforts are underway to outfit larger rotorcraft with science payloads to allow them to explore Mars’ surface and lower atmosphere with significantly more efficiency than land vehicles. Such vehicles could also be designed to work in tandem with landers or rovers. The Mars Science Helicopter (MSH) is a conceptual hexacopter design that is currently under early development by both NASA Ames and JPL. Equipping a vehicle like MSH with a science arm has the potential to further expand its scientific capabilities. This paper approaches the mission and design requirements to equip a science arm on MSH while highlighting the unique technical challenges for robotic arm and science instrument capability. Current plans for MSH development do not include the addition of a robotic arm to the vehicle. However, it is anticipated that future variants of the MSH design might well incorporate such adaptable surface interactive capabilities.

Robotic Science Arm↗