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At least 55 records · Page 3

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NASA NTRS1999

Polymer mobility in cell walls of cucumber hypocotyls

Cell walls were prepared from the growing region of cucumber (Cucumis sativus) hypocotyls and examined by solid-state 13C NMR spectroscopy, in both enzymically active and inactivated states. The rigidity of individual polymer segments within the hydrated cell walls was assessed from the proton magnetic relaxation parameter, T2, and from the kinetics of cross-polarisation from 1H to 13C. The microfibrils, including most of the xyloglucan in the cell wall, as well as cellulose, behaved as very rigid solids. A minor xyloglucan fraction, which may correspond to cross-links between microfibrils, shared a lower level of rigidity with some of the pectic galacturonan. Other pectins, including most of the galactan side-chain residues of rhamnogalacturonan I, were much more mobile and behaved in a manner intermediate between the solid and liquid states. The only difference observed between the enzymically active and inactive cell walls, was the loss of a highly mobile, methyl-esterified galacturonan fraction, as the result of pectinesterase activity.

NASA Discipline Plant Biology↗

DOE OSTI2025

How do substituted phenyl-based cations affect the structure-property-stability relationship of low-dimensional perovskites?

Incorporating organic bulky cations in the precursor or post-treatment to achieve two-dimensional/three-dimensional (2D/3D) heterojunction is an effective strategy for enhancing the stability of perovskite materials. However, the issue of insufficient charge transport in 2D perovskites limits their development, and the fundamental mechanism of out-of-plane carrier transport remains unclear. This study designed and synthesized seven organic phenyl-core cations, differentiated at the 1- and 1,4-positions, and identified the impacts on the corresponding properties of the 2D crystalline perovskite. Shorter cations facilitated a more compact arrangement of adjacent inorganic layers, aligning to favor charge transport along the vertical direction. In addition, introducing high electronegativity led to increased intermolecular interactions, resulting in enhanced structural stability and improved phenyl ring π-orbital overlap and interlayer electron coupling, yielding efficient charge transport. Resilience to thermal stressing of the perovskite was strongly correlated with the carbon chain length of the spacer cations. Here, the increase in cation length and the reduction in the rigidity of the amino-terminal both aided in the dispersion of thermal stress in the inorganic framework. Additional hydrogen bonding also contributed to mitigating structural disorder.

14 SOLAR ENERGY↗

DOE OSTI2025

Error field measurements and correction on MUSE permanent magnet stellarator

The magnetic field topology and error fields are measured in the MUSE permanent magnet stellarator with an electron beam and fluorescent rod. The effective magnetization of the magnets is determined by measuring rational flux surface locations. Electron magnetic drift effects must be considered self-consistently due to the small magnetic shear on MUSE. Error fields are characterized by flux surface shape deviation and magnetic island chain width and phase. Error fields are then corrected by adjusting the permanent magnet (PM) holders as rigid bodies. Resonant error fields are on the order of or smaller than 3 x 10 -6 of the toroidal field after correction and surface shape matches well with the design. Resonant components of the quasi-symmetry deviation are estimated, using a novel magnetic drift measurement, to be in the 10 −4 range. The PM approach is validated as a low-cost and precise way to build optimized stellarators.

electron beam mapping↗

NASA NTRS2002

Rotationally Molded Liquid Crystalline Polymers

Rotational molding is a unique process for producing hollow plastic parts. Rotational molding offers low cost tooling and can produce very large parts with complicated shapes. Products made by rotational molding include water tanks with capacities up to 20,000 gallons, truck bed liners, playground equipment, air ducts, Nylon fuel tanks, pipes, toys, stretchers, kayaks, pallets, and many others. Thermotropic liquid crystalline polymers are an important class of engineering resins employed in a wide variety of applications. Thermotropic liquid crystalline polymers resins are composed of semirigid, nearly linear polymeric chains resulting in an ordered mesomorphic phase between the crystalline solid and the isotropic liquid. Ordering of the rigid rod-like polymers in the melt phase yields microfibrous, self-reinforcing polymer structures with outstanding mechanical and thermal properties. Rotational molding of liquid crystalline polymer resins results in high strength and high temperature hollow structures useful in a variety of applications. Various fillers and reinforcements can potentially be added to improve properties of the hollow structures. This paper focuses on the process and properties of rotationally molded liquid crystalline polymers. This paper will also highlight the interactions between academia and small businesses in developing new products and processes.

Rogers, Martin↗

NASA NTRS2017

Flexible Proteins at the Origin of Life

Almost all modern proteins possess well-defined, relatively rigid scaffolds that provide structural preorganization for desired functions. Such scaffolds require the sufficient length of a polypeptide chain and extensive evolutionary optimization. How ancestral proteins attained functionality, even though they were most likely markedly smaller than their contemporary descendants, remains a major, unresolved question in the origin of life. On the basis of evidence from experiments and computer simulations, we argue that at least some of the earliest water-soluble and membrane proteins were markedly more flexible than their modern counterparts. As an example, we consider a small, evolved in vitro ligase, based on a novel architecture that may be the archetype of primordial enzymes. The protein does not contain a hydrophobic core or conventional elements of the secondary structure characteristic of modern water-soluble proteins, but instead is built of a flexible, catalytic loop supported by a small hydrophilic core containing zinc atoms. It appears that disorder in the polypeptide chain imparts robustness to mutations in the protein core. Simple ion channels, likely the earliest membrane protein assemblies, could also be quite flexible, but still retain their functionality, again in contrast to their modern descendants. This is demonstrated in the example of antiamoebin, which can serve as a useful model of small peptides forming ancestral ion channels. Common features of the earliest, functional protein architectures discussed here include not only their flexibility, but also a low level of evolutionary optimization and heterogeneity in amino acid composition and, possibly, the type of peptide bonds in the protein backbone.

Flexible protein↗

DOE OSTI2026

Chain entanglements enable regeneration of high-performance thermosets

Thermoset plastics underpin structural materials, electronics and transportation, yet the permanent covalent networks that prevent flow and provide dimensional stability also make them difficult to recycle without sacrificing performance. In this work we show that high-performance thermosets can be built around dense chain entanglements, the physical interlacing of long polymer strands, rather than dense permanent crosslinks, with only a small number of selectively cleavable junctions preserving connectivity. Long, rigid, entangled polyolefin backbones generated by frontal polymerization form glassy polymers with high stiffness, high toughness and excellent creep suppression yet can be fully deconstructed into soluble, linear oligomers. Varying oligomer length and end-group chemistry enables their reuse as re-entangling building blocks that regenerate thermosets with thermal and mechanical properties that remain unchanged across generations. The strategy further extends to high-temperature fibre-reinforced composite matrices and additively manufactured structures, establishing chain entanglement as a design principle for durable, regenerable thermosets.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Unified formulation of dynamics for serial rigid multibody systems

There has been a growing interest in the development of new and efficient algorithms for multibody dynamics in recent years. Serial rigid multibody systems form the basic subcomponents of general multibody systems, and a variety of algorithms to solve the serial chain forward dynamics problem have been proposed. In this paper, the economy of representation and analysis tools provided by the spatial operator algebra are used to clarify the inherent structure of these algorithms, to identify those that are similar, and to study the relationships among the ones that are distinct. For the purposes of this study, the algorithms are categorized into three classes: algorithms that require the explicit computation of the mass matrix, algorithms that are completely recursive in nature, and algorithms of intermediate complexity. In addition, alternative factorizations for the mass matrix and closed form expressions for its inverse are derived. These results provide a unifying perspective, within which these diverse dynamics algorithms arise naturally as a consequence of a progressive exploitation of the structure of the mass matrix.

Jain, Abhinandan↗

NASA NTRS1992

Towed Articulated Housing For Geophysical Measurements

Snakelike articulated string of rigid shells towed by helicopter, boat, kite or balloon, carries scientific instruments over land and sea surfaces. Nested shells connected to internal chain by bolt covered by preceding cone. String articulates readily to negotiate obstacles, but locally stiff to lie across a narrow crevasse.

Burke, James D.↗

DOE OSTI2026

Microstructure of amide-functionalized polyethylenes determined by NMR relaxometry

Amidation of polyethylenes creates a range of amide-containing materials with enhanced properties, but the effect of these functional groups on the microstructure of these new materials is not known. Here we employ solid-state nuclear magnetic resonance (NMR) techniques to analyze the microstructure of amide-modified polyethylenes. While a decrease in crystallinity was observed with increasing amounts of functionalization, we found by measuring the chain mobility of the crystalline, amorphous, and interphasial regions of the polyethylenes with NMR relaxation techniques that the grafted amidyl groups partition into the rigid amorphous fraction (RAF) between the crystalline and amorphous regions. The chemical specificity of these NMR experiments creates precise assessments of the location of functional groups within the materials. Together, these insights into the microstructure and morphology of amide-containing polyethylenes lay a foundation for a deeper understanding of the structure and properties of functional polyolefins.

Haber, Shira [Lawrence Berkeley National Laborator↗

NASA NTRS2015

An Efficient Solution Method for Multibody Systems with Loops Using Multiple Processors

This paper describes a multibody dynamics algorithm formulated for parallel implementation on multiprocessor computing platforms using the divide-and-conquer approach. The system of interest is a general topology of rigid and elastic articulated bodies with or without loops. The algorithm divides the multibody system into a number of smaller sets of bodies in chain or tree structures, called "branches" at convenient joints called "connection points", and uses an Order-N (O (N)) approach to formulate the dynamics of each branch in terms of the unknown spatial connection forces. The equations of motion for the branches, leaving the connection forces as unknowns, are implemented in separate processors in parallel for computational efficiency, and the equations for all the unknown connection forces are synthesized and solved in one or several processors. The performances of two implementations of this divide-and-conquer algorithm in multiple processors are compared with an existing method implemented on a single processor.

Multibody dynamics↗

DOE OSTI2026

Conserving asphalt resources: Rethinking rejuvenator performance evaluation through peptizing efficiency

Timely rejuvenation and restoration of asphalt are essential conservation practices that help preserve and extend the service life of roads, bridges, driveways, and parking lots. The performance of asphalt rejuvenators is often assessed based on their diffusion rates and softening power, yet these metrics alone fail to capture true rejuvenation potential. Here, this study integrates density functional theory (DFT) modeling with experimental analysis to show that rejuvenation effectiveness is primarily governed by molecular interactions with oxidized asphaltene nanoaggregates. DFT results revealed that amide- and unsaturated-chain compounds, such as hexadecanamide, oleic acid, and 9,17-octadecadienal, act cooperatively to disrupt π–π stacking and exfoliate asphaltene layers, reducing binding strength and enhancing dispersion. Unlike bulky, rigid molecules that remain trapped, these components remain mobile and repeatedly interact with multiple aggregation sites. Experimental validation using rheometry and FTIR confirmed that such molecularly compatible rejuvenators restore the binder flexibility and polydispersity, even when diffusion is relatively slow. Building on this mechanistic foundation, six rejuvenators (A2, A5, A7, A8, A9, and A10) were evaluated using a three-metric performance framework encompassing cracking resistance (Glover–Rowe parameter), UV stability, and surface hydrophobicity. Among the six rejuvenators evaluated, A9 exhibited the highest overall performance, reducing the Glover–Rowe cracking parameter by 85% (from 351 kPa to 53 kPa), demonstrating the greatest resistance to UV-induced aging with a stability index of 4.17 h·kPa⁻¹, and increasing surface hydrophobicity to a contact angle of 103.6°. Its superior performance is primarily attributed to its amide- and unsaturated-chain components, which act cooperatively to disrupt π–π stacking interactions and exfoliate asphaltene layers, thereby promoting molecular deagglomeration and enhancing long-term durability. These results shift the criteria for selecting rejuvenators: effective candidates must pair the electronic capability to unlock aged asphaltenes with sufficient structural stability to resist secondary aging and restore hydrophobicity. Restoring hydrophobicity is critical, as aging reduces the asphalt’s water repellency and increases water diffusion, which in turn accelerates moisture-related damage; consequently, a high-performing rejuvenator must effectively restore the binder’s hydrophobic characteristic. Collectively, these findings provide a framework for the rational design of next-generation of bio-based rejuvenators that enhance pavement longevity and promote long-term sustainability.

Aging↗

DOE OSTI2025

Conformational Dynamics and Catalytic Backups in a Hyper-thermostable Engineered Archaeal Protein Tyrosine Phosphatase

Protein tyrosine phosphatases (PTPs) are a family of enzymes that play important roles in regulating cellular signaling pathways. The activity of these enzymes is regulated by the motion of a catalytic loop that places a critical conserved aspartic acid side chain into the active site for acid–base catalysis upon loop closure. These enzymes also have a conserved phosphate-binding loop that is typically highly rigid and forms a well-defined anion-binding nest. The intimate links between loop dynamics and chemistry in these enzymes make PTPs an excellent model system for understanding the role of loop dynamics in protein function and evolution. In this context, archaeal PTPs, which have often evolved in extremophilic organisms, are highly understudied, despite their unusual biophysical properties. We present here an engineered chimeric PTP (ShufPTP) generated by shuffling the amino acid sequence of five extant hyperthermophilic archaeal PTPs. Despite ShufPTP’s high sequence similarity to its natural counterparts, it presents a suite of unique properties, including high flexibility of the phosphate binding P-loop, facile oxidation of the active-site cysteine, mechanistic promiscuity, and, most notably, hyperthermostability, with a denaturation temperature likely >130 °C (>8 °C higher than the highest recorded growth temperature of any archaeal strain). Our combined structural, biochemical, biophysical, and computational analysis provides insight both into how small steps in evolutionary space can radically modulate the biophysical properties of an enzyme and showcases the tremendous potential of archaeal enzymes for biotechnology, to generate novel enzymes capable of operating under extreme conditions.

archaea↗

NASA NTRSDate not supplied

A Framework for Sense and Follow Convoys for Collective Autonomous Mobility

Convoys are collections of vehicles that share similar velocity profiles. In the sense-and follow convoy construct, a vehicle can follow a member of an existing convoy resulting in convoy chaining. We prove conditions under which this can occur such that the resulting convoy chain is bounded and the velocities of all members converge to the leader velocity through locally distributed control algorithms. To assess the approach, we utilize a six degree-of-freedom rigid body vehicle dynamics model for each agent. A dynamic inversion based control law is used to track the desired trajectory generated by the convoy algorithms. To simulate the system, we utilize Unity, a cross-platform game engine, where 3-dimensional terrain, building, and vehicle data can be visualized. Numerous simulations are presented to illustrate the concept.

convoys↗

NASA NTRSDate not supplied

A Framework for Sense and Follow Convoys for Collective Autonomous Mobility

convoys↗

DOE OSTI2024

Tailoring the Gating Effect of Organic Cage via a Porous Liquid Approach

Porous liquids (PLs) represent a new frontier in material design combining the merits of solid porous host and liquid phase in gas separation and catalysis. Herein, the PL construction approach is harnessed to tailor the gating effect of organic cages toward enhanced gas separation. A type-II fluorinated PL (F-PL) is developed via liquifying a fluorinated organic cage (F-cage) by a fluorinated ionic liquid (F-IL). The F-cage is featured by a small window size (≈5.1 Å), high surface area, good stability under highly ionic conditions, and abundant fluorine moieties. The F-IL possesses high steric hindrance (bulky cation) and structure similarity with the F-cage (fluorinated alkyl chain in the anion). The existing status structure integrity of F-cage in F-IL upon F-PL formation is illustrated via spectroscopy and X-ray-based techniques. The existence of rigid voids in F-PL is illustrated by positron annihilation lifetime spectroscopy (PALS) and the improved gas uptake capacity than F-IL via pressure-swing CO 2 uptake isotherms (0–40) bar. Further, the comparison of the gas uptake behavior (CO 2 , N 2 , CH 4 , and Xe) of F-PL and F-cage, combining the computational simulation, highlights that the PL construction can be leveraged to tune the window size of porous scaffolds, leading to enhanced gas selectivity.

36 MATERIALS SCIENCE↗

NASA NTRS1990

Recursive dynamics for flexible multibody systems using spatial operators

Due to their structural flexibility, spacecraft and space manipulators are multibody systems with complex dynamics and possess a large number of degrees of freedom. Here the spatial operator algebra methodology is used to develop a new dynamics formulation and spatially recursive algorithms for such flexible multibody systems. A key feature of the formulation is that the operator description of the flexible system dynamics is identical in form to the corresponding operator description of the dynamics of rigid multibody systems. A significant advantage of this unifying approach is that it allows ideas and techniques for rigid multibody systems to be easily applied to flexible multibody systems. The algorithms use standard finite-element and assumed modes models for the individual body deformation. A Newton-Euler Operator Factorization of the mass matrix of the multibody system is first developed. It forms the basis for recursive algorithms such as for the inverse dynamics, the computation of the mass matrix, and the composite body forward dynamics for the system. Subsequently, an alternative Innovations Operator Factorization of the mass matrix, each of whose factors is invertible, is developed. It leads to an operator expression for the inverse of the mass matrix, and forms the basis for the recursive articulated body forward dynamics algorithm for the flexible multibody system. For simplicity, most of the development here focuses on serial chain multibody systems. However, extensions of the algorithms to general topology flexible multibody systems are described. While the computational cost of the algorithms depends on factors such as the topology and the amount of flexibility in the multibody system, in general, it appears that in contrast to the rigid multibody case, the articulated body forward dynamics algorithm is the more efficient algorithm for flexible multibody systems containing even a small number of flexible bodies. The variety of algorithms described here permits a user to choose the algorithm which is optimal for the multibody system at hand. The availability of a number of algorithms is even more important for real-time applications, where implementation on parallel processors or custom computing hardware is often necessary to maximize speed.

Jain, A.↗

NASA NTRS2015

Layered Thermal Insulation Systems for Industrial and Commercial Applications

From the high performance arena of cryogenic equipment, several different layered thermal insulation systems have been developed for industrial and commercial applications. In addition to the proven areas in cold-work applications for piping and tanks, the new Layered Composite Insulation for Extreme Environments (LCX) has potential for broader industrial use as well as for commercial applications. The LCX technology provides a unique combination of thermal, mechanical, and weathering performance capability that is both cost-effective and enabling. Industry applications may include, for example, liquid nitrogen (LN2) systems for food processing, liquefied natural gas (LNG) systems for transportation or power, and chilled water cooling facilities. Example commercial applications may include commercial residential building construction, hot water piping, HVAC systems, refrigerated trucks, cold chain shipping containers, and a various consumer products. The LCX system is highly tailorable to the end-use application and can be pre-fabricated or field assembled as needed. Product forms of LCX include rigid sheets, semi-flexible sheets, cylindrical clam-shells, removable covers, or flexible strips for wrapping. With increasing system control and reliability requirements as well as demands for higher energy efficiencies, thermal insulation in harsh environments is a growing challenge. The LCX technology grew out of solving problems in the insulation of mechanically complex cryogenic systems that must operate in outdoor, humid conditions. Insulation for cold work includes equipment for everything from liquid helium to chilled water. And in the middle are systems for LNG, LN2, liquid oxygen (LO2), liquid hydrogen (LH2) that must operate in the ambient environment. Different LCX systems have been demonstrated for sub-ambient conditions but are capable of moderately high temperature applications as well.

thermal conductivity↗

NASA NTRS2002

Wholly Aromatic Ether-imides. Potential Materials for n-Type Semiconductors

We report on the synthesis and characterization of a novel series low-molar-mass ether-imide rod-shaped model compounds. All ether-imides were obtained by terminating the appropriate rigid core dianhydride, i.e. pyromellitic dianhydride (PMDA), 1,4,5,8-naphthalenetetracarboxylic dianhydride (NDA), 3,3',4,4'-biphenyltetracarboxylic dianhydride (BPDA), and 3,3,4,4'-oxydiphthalic dianhydride (ODPA) with three flexible aryl-ether tails of different chain length. The mono-functional aryl-ether amines, i.e. 4-(3-phenoxy-phenoxy)-phenylamine (2) and 4-(3-phenoxy-3-phenoxy-phenoxy)-phenylamine (4), were synthesized using standard fluoro-displacement and Ullmann condensation techniques. The corresponding ether-imide model compounds were obtained in high yields using a one-step solution imidization procedure. Increasing the number of meta-substituted aryl-ether units reduces the melt transition temperatures and at the same time it increases the solubility of the model compounds. Most model compounds are crystalline solids and form isotropic melts upon heating. 2,7-Bis-(-4-phenoxy-phenyl)-benzo[Imn][3,8]phenanthroline1,3,6,8-tetraone (NDA-n0), however, displays a smectic A (SA) when cooled from the isotropic phase, followed by what appears to be either a highly ordered smectic phase or a, columnar phase. This is the first example, known to date, in which a mesophase is detected in a wholly aromatic ether-imide compound. For all compounds we present spectroscopic data and X-ray diffraction data. Cyclic voltammetry was used to determine the redox behavior and pertinent energy levels of the model compounds.

Dingemans, Theo J.↗