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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Scale-free, programmable design of morphable chain loops of kilobots and colloidal motors

Micron-scale robots require systems that can morph into arbitrary target configurations controlled by external agents such as heat, light, electricity, and chemical environment. Achieving this behavior using conventional approaches is challenging because the available materials at these scales are not programmable like their macroscopic counterparts. To overcome this challenge, we propose a design strategy to make a robotic machine that is both programmable and compatible with colloidal-scale physics. Our strategy uses motors in the form of active colloidal particles that constantly propel forward. We sequence these motors end-to-end in a closed chain forming a two-dimensional loop that folds under its mechanical constraints. We encode the target loop shape and its motion by regulating six design parameters, each scale-invariant and achievable at the colloidal scale. We demonstrate the plausibility of our design strategy using centimeter-scale robots called kilobots . We use Brownian dynamics simulation to explore the large design space beyond that possible with kilobots, and present an analytical theory to aid the design process. Multiple loops can also be fused together to achieve several complex shapes and robotic behaviors, demonstrated by folding a letter shape “M,” a dynamic gripper , and a dynamic pacman . The material-agnostic, scale-free, and programmable nature of our design enables building a variety of reconfigurable and autonomous robots at both colloidal scales and macroscales.

36 MATERIALS SCIENCE↗

Backbone Stitching in Bottlebrush Copolymer Mesodomains and the Impact of Side Chain Crystallization

We synthesized bottlebrush statistical copolymers (BSCPs) having poly­(ethylene oxide) (PEO) and poly­(dimethylsiloxane) (PDMS) side chains attached to a polynorbornene backbone. Small-angle X-ray scattering analysis showed that for densely grafted BSCPs, the scattering length density gradually transitions between the PEO and PDMS domains. For loosely grafted BSCPs, the polymer backbone formed a distinct mesodomain, with a lower electron and mass density than both the PEO and PDMS domains. The bottlebrush backbone essentially “stitches” the PEO and PDMS side chains, looping back and forth from the PEO to PDMS domains with the backbone segments oriented normal to the domain interfaces. Self-consistent field theory (SCFT) calculations validated the stitching of the backbone driven by the microphase separation of PEO and PDMS, along with a strong segmental order of the side chains in the melt. The reduced birefringence upon PEO crystallization suggests the disruption of the strong segmental order by the crystallization. Both the static intrinsic and the form birefringences of the BSCPs decreased upon PEO crystallization. Solid-state NMR confirmed the rigidity of PEO crystallites and the bottlebrush backbone. Self-assembly of BSCPs containing polyhedral oligomeric silsesquioxane (POSS) pendent groups was also evaluated by X-ray scattering, showing the formation of lamellar microdomains that inhibited POSS crystallization.

Hu, Mingqiu↗

Integrated Simulation Design Challenges to Support TPS Repair Operations

During the Orbiter Repair Maneuver (ORM) operations planned for Return to Flight (RTF), the Shuttle Remote Manipulator System (SRMS) must grapple the International Space Station (ISS), undock the Orbiter, maneuver it through a long duration trajectory, and orient it to an EVA crewman poised at the end of the Space Station Remote Manipulator System (SSRMS) to facilitate the repair of the Thermal Protection System (TPS). Once repair has been completed and confirmed, then the SRMS proceeds back through the trajectory to dock the Orbiter to the Orbiter Docking System. In order to support analysis of the complex dynamic interactions of the integrated system formed by the Orbiter, ISS, SRMS, and SSMS during the ORM, simulation tools used for previous ‘nominal’ mission support required substantial enhancements. These upgrades were necessary to provide analysts with the capabilities needed to study integrated system performance. Prevalent throughout this ORM operation is a dynamically varying topology. In other words, the ORM starts with the SRMS grappled to the mated Shuttle/ISS stack (closed loop topology), moves to an open loop chain topology consisting of the Shuttle, SRMS, and ISS, and then, at the repair configuration, extends the chain topology to one consisting of the Shuttle, SMS, ISS, and SSRMS/EVA crewman. The resulting long dynamic chain of vehicles and manipulators may exhibit significant motion between the Shuttle worksite and the EVA crewman due to the system flexibility throughout the topology (particularly within the SRMS/SSRMS joints and links). Since the attachment points of both manipulators span the flexible structure of the ISS, simulation analysis may also need to take that into consideration. Moreover, due to the lengthy time duration associated with the maneuver and repair, orbital effects become a factor and require the ISS vehicle control system to maintain active attitude control. Several facets of the ORM operation make the associated analytical efforts different from previous mission support, including: (1) the magnitude of the SRMS handled payload (Le., Orbiter class), (2) the orbital effects induced on the integrated system consisting of the large Shuttle and ISS masses connected by a light flexible SRMS, (3) long duration environmental consequences due to the lengthy operational times associated with the maneuver and repair of the TPS, (4) active attitude control (as opposed to free drift) interacting with the SRMS and SSRMS manipulators (also due to the length of the maneuver and repair), (5) relative dynamics between the EVA crewman and thc worksite influenced by the extended flexible topology. In order to meet these analysis challenges, an ORM simulation architecture was developed leveraging upon numerous pre-existing simulation elements to analyze the various subsystems individually. For example, core manipulator subsystem simulations for both the SRMS and SSRMS were originally combined to provide the dual-arm dynamics topology simulation (in the absence of orbital dynamics and vehicle control). This capability was later merged with the simulation used to analyze SRMS loading with a heavy payload in the orbital environment with an active payload control system (in this case, the ISS Attitude Control System (ACS)), configured for the ORM. The resulting worksite dynamics simulation, based off of the modified ORM simulation, provided the extended topological chain of vehicles and manipulators, while taking into account the orbital effects of both the Shuttle and ISS (as well as its ACS). Verification and validation (V&V) of these integrated simulations became a challenge in itself. A systematic approach needed to be developed such that integration simulation results could be tested against previous constituent simulations upon which these simulations were built. General V&V categories included: (1) core orbital state propagation, (2), stand-alone SRMS, (3) stand-alone SSRMS, (4) stand-alone ISS ACS, (5) integrated Shuttle, SRMS, ISS (with active ACS) in the orbital environment, and (5) dual-arm SRMS/SSRMS dynamics topology. Integrated simulation V&V run suites were created and correlated to verification runs from subsystem simulations, in order to establish the validity of the results. This paper discusses the simulation design challenges encountered while developing simulation capabilities to mirror the ORM operations. The paper also describes the incremental build approach that was utilized, starting with the subsystem simulation elements and integration into increasing more complex simulations until the resulting ORM worksite dynamics simulation had been assembled. Furthermore, the paper presents an overall integrated simulation V&V methodology based upon a subsystem level testing, integrated comparisons, and phased checkout.

Thermal Protection System↗

Game theoretic modeling and optimization of competition and collaboration in dual channel electronic waste supply chains

The rapid growth of electronic waste (e-waste) presents critical challenges for sustainable resource recovery and environmental protection. This study develops a dual-channel closed-loop supply chain (CLSC) model formulated as a hierarchical Stackelberg game, that integrates dynamic pricing and cost-sharing mechanisms to optimize both economic and environmental outcomes. The model explicitly captures strategic interactions between manufacturer-led and third-party recycling channels, accounting for consumer behavior, regulatory incentives, and market competition. Numerical simulations conducted (implemented over a four-iteration horizon using a commercial optimization solver) show that, relative to the baseline equilibrium, manufacturer profit increases from 11.6 thousand USD to 37.9 thousand USD (+226.8%), total recycled volume rises from 7,848 to 7,942 units (+1.2%), and collector profit nearly doubles under cost-sharing, enabling more equitable profit distribution. Furthermore, scenario-based simulations across Sub-Saharan Africa, high-income economies, and emerging Asian industrial countries reveal that infrastructure quality, policy intensity, and labor costs critically shape recycling efficiency and profit allocation. These findings demonstrate that subsidies alone are insufficient to ensure system efficiency. Instead, coordinated strategies that integrate internal incentive alignment with context-sensitive policy support are required. Overall, this study offers a robust framework for designing resilient, efficient, and regionally adaptable e-waste management systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Dynamic behavior of chemically tunable mechano-responsive hydrogels

Here, using theory and simulation, we model the mechanical behavior of gels that encompass loops and dangling chain ends. If the loops remain folded and dangling ends are chemically inert, then these topological features just serve as defects. If, however, the loops unfold to expose the hidden (“cryptic”) binding sites and the ends of the dangling chains are reactive, these moieties can form bonds that improve the gel's mechanical properties. For gels with a lower critical solubility temperature (LCST), we systematically switch on the possible unfolding and binding events. To quantify the resulting effects, we derive equations for the gel's equilibrium and dynamic elastic moduli. We also use a finite element approach to simulate the gel's response to deformation and validate the analytic calculations. Herein, we show that the equilibrium moduli are highly sensitive to the presence of unfolding and binding transitions. The dynamical moduli are sensitive not only to these structural changes, but also to the frequency of deformation. For example, when reactive ends bind to exposed cryptic sites at T = 29 °C and relatively high frequency, the storage shear modulus is 119% greater than the corresponding equilibrium value, while the storage Young's modulus is 109% greater than at equilibrium. These findings provide guidelines for tuning the chemical reactivity of loops and dangling ends and the frequency of deformation to tailor the mechano-responsive behavior of polymer networks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The coupling effects of kinematics and flexibility on the Lagrangian dynamic formulation of open chain deformable links

A nonlinear Lagrangian formulation for the spatial kinematic and dynamic analysis of open chain deformable links consisting of cylindrical joints that connect pairs of flexible links is developed. The special cases of revolute or prismatic joint can also be obtained from the kinematic equations. The kinematic equations are described using a 4x4 matrix method. The configuration of each deformable link in the open loop kinematic chain is identified using a coupled set of relative joint variables, constant geometric parameters, and elastic coordinates. The elastic coordinates define the link deformation with respect to a selected joint coordinate system that is consistent with the kinematic constraints on the boundary of the deformable link. These coordinates can be introduced using approximation techniques such as Rayleigh-Ritz method, finite element technique or any other desired approach. The large relative motion between two neighboring links are defined by a set of joint coordinates which describes the large relative translational and rotational motion between two neighboring joint coordinate systems. The origin of these coordinate systems are rigidly attached to the neighboring links at the joint definition points along the axis of motion.

Changizi, Koorosh↗

Cluster bootstrap for cosmological correlators

We show that cosmological wavefunction coefficients associated with n-site chain and loop graphs for a cubic scalar theory in de Sitter spacetime have symbol alphabets given by subsets of A 2n−2 and B 2n−1 cluster variables, respectively, and satisfy the associated cluster adjacency properties. The key step in proving this is identifying a precise connection between graph “tubings” that appear in the kinematic flow equation and polygon “triangulations” that encode the combinatorics of cluster compatibility. Our results imply that cosmological wavefunction coefficients in a general power-law FRW cosmology satisfy cluster adjacency to all orders in the ϵ expansion around the de Sitter limit. We use this information as bootstrap input to show that de Sitter symbols for n ≤ 4 are uniquely determined by simple physical constraints.

differential and algebraic geometry↗

Recycling of additively printed rare-earth bonded magnets

Here, we describe an efficient and environmentally benign method of recycling of additive printed Nd-Fe-B polymer bonded magnets. Rapid pulverization of bonded magnets into composite powder containing Nd-Fe-B particles and polymer binder was achieved by milling at cryogenic temperatures. The recycled bonded magnets fabricated by warm compaction of ground cryomilled coarse composite powders and nylon particles showed improved magnetic properties and density. Remanent magnetization and saturation magnetization increased by 4% and 6.5% respectively, due to enhanced density while coercivity and energy product were retained from the original additive printed bonded magnets. This work presents a facile method that enables the direct reuse of end-of-life bonded magnets for remaking new bonded magnets. In addition to magnetic properties, mechanical properties comparable to commercial products have been achieved. This research advances efforts to ensure sustainability in critical materials by forming close loop supply chain.

36 MATERIALS SCIENCE↗

Human motion planning based on recursive dynamics and optimal control techniques

This paper presents an efficient optimal control and recursive dynamics-based computer animation system for simulating and controlling the motion of articulated figures. A quasi-Newton nonlinear programming technique (super-linear convergence) is implemented to solve minimum torque-based human motion-planning problems. The explicit analytical gradients needed in the dynamics are derived using a matrix exponential formulation and Lie algebra. Cubic spline functions are used to make the search space for an optimal solution finite. Based on our formulations, our method is well conditioned and robust, in addition to being computationally efficient. To better illustrate the efficiency of our method, we present results of natural looking and physically correct human motions for a variety of human motion tasks involving open and closed loop kinematic chains.

Non-NASA Center↗

Analysis of a first order phase locked loop in the presence of Gaussian noise

A first-order digital phase locked loop is analyzed by application of a Markov chain model. Steady state loop error probabilities, phase standard deviation, and mean loop transient times are determined for various input signal to noise ratios. Results for direct loop simulation are presented for comparison.

Blasche, P. R.↗

A Markov chain technique for determining the acquisition behavior of a digital tracking loop

An iterative procedure is presented for determining the acquisition behavior of discrete or digital implementations of a tracking loop. The technique is based on the theory of Markov chains and provides the cumulative probability of acquisition in the loop as a function of time in the presence of noise and a given set of initial condition probabilities. A digital second-order tracking loop to be used in the Viking command receiver for continuous tracking of the command subcarrier phase was analyzed using this technique, and the results agree closely with experimental data.

Chadwick, H. D.↗

Structural Diversity of Ultralong CDRH3s in Seven Bovine Antibody Heavy Chains

Antigen recognition by mammalian antibodies represents the most diverse setting for protein-protein interactions, because antibody variable regions contain exceptionally diverse variable gene repertoires of DNA sequences containing combinatorial, non-templated junctional mutational diversity. Some animals use additional strategies to achieve structural complexity in the antibody combining site, and one of the most interesting of these is the formation of ultralong heavy chain complementarity determining region 3 loops in cattle. Repertoire sequencing studies of bovine antibody heavy chain variable sequences revealed that bovine antibodies can contain heavy chain complementarity determining region 3 (CDRH3) loops with 60 or more amino acids, with complex structures stabilized by multiple disulfide bonds. It is clear that bovine antibodies can achieve long, peculiarly structured CDR3s, but the range of diversity and complexity of those structures is poorly understood. We determined the atomic resolution structure of seven ultralong bovine CDRH3 loops. The studies, combined with five previous structures, reveal a large diversity of cysteine pairing variations, and highly diverse globular domains.

59 BASIC BIOLOGICAL SCIENCES↗

Water-Based Electrode Manufacturing and Direct Recycling of Lithium-Ion Battery Electrodes—A Green and Sustainable Manufacturing System

It is critical to develop a low-cost and environmentally friendly system to manufacture and recycle lithium-ion batteries (LIBs) as the demand on LIBs keeps increasing dramatically. Conventional LIB cathodes are manufactured using N-methyl-2-pyrrolidone as the solvent, which is expensive, highly toxic, flammable, and energy intensive to produce and recover. Ideally, a close-loop industrial supply chain should be built, in which the batteries are manufactured, market harvested, and recycled with minimal external toxic solvent through the whole system. This work demonstrates a green and more sustainable manufacturing method for LIBs where no hazardous organic solvent is used during electrode manufacturing and recycling. The electrodes fabricated via water-based processing demonstrate comparable rate performance and cycle life to the ones from conventional solvent-based processing. Utilization of a water-soluble binder enables recovering the cathode compound from spent electrodes using water, which is successfully regenerated to deliver comparable electrochemical performance to the pristine one.

25 ENERGY STORAGE↗

Polymer Structure Dependent Hierarchy in PolyMOC Gels

Polymer gels are often very soft due to their low branch functionality ($f$) and the inevitable presence of defects (e.g., primary loops or dangling chains). Polymer metal–organic cage (polyMOC) gels are a relatively new class of supramolecular gels with precisely defined junction structures made possible by subcomponent assembly of nanoscale MOCs connected by polymer chains. In this paper, we report that variation of the molecular weight and architecture of the polymer component of polyMOCs provides an entry into gels with ultra-high $f$. For example, materials with $f$ ~ 9–12, i.e., ~ 9–12 polymer chains connect each MOC within the gel network, are realized. As a consequence of their increased $f$, these gels display exemplary mechanical properties at low concentrations (down to 240 μM) of metal ions and only 5.4–5.9 wt % of polymer. Furthermore, X-ray and neutron scattering pointed to an additional level of structural hierarchy that arises from the assembly of M 12 L 24 MOCs into clusters. The relationships between polymer and polyMOC network structure revealed here will facilitate the design of high-performance polyMOCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Swelling Inhibition of Liquid Crystalline Colloidal Montmorillonite and Beidellite Clays by DNA

Exploring the interaction of nucleic acids with clay minerals is important to understand such issues as the persistence in soils of biomolecules and the appearance of genetic polymers in prebiotic environments. Colloidal dispersions of double stranded DNA and clay nanosheets may also provide interesting model systems to study the statistical physics of mixtures of semi-flexible rods and plates. Here, we show that adding very small amounts of DNA to liquid-crystalline montmorillonite and beidellite smectite clay suspensions strongly widens the isotropic/nematic phase coexistence region. Moreover, a spectroscopic study shows that, upon DNA addition, the first DNA molecules adsorb onto the clay particles. Remarkably, synchrotron small-angle X-ray scattering experiments reveal that the average distance between the clay sheets, in the nematic phase at coexistence, decreases with increasing DNA concentration and that the inhibition of swelling by DNA becomes almost independent of clay concentration. We interpret this DNA-mediated attraction between clay nanosheets by bridging conformations of DNA strands (plates on a string structure). In addition to bridging, DNA chains can form "loops" between sections adsorbed on the same particle, giving rise to sheet repulsions due to protruding loops. Furthermore, this interpretation agrees with the observed inter-clay spacings being dependent only on the DNA concentration.

59 BASIC BIOLOGICAL SCIENCES↗