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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 271 records · Page 15

Rheology of dense fiber suspensions: Origin of yield stress, shear thinning, and normal stress differences

We explain the origins of yield stress, shear thinning, and normal stress differences in rigid fiber suspensions. We investigate the interplay between the hydrodynamic, noncontact attractive and repulsive, and interfiber contact interactions. The shear-thinning viscosity and finite yield stress obtained from the Immerse Boundary Method simulations are in quantitative agreement with experiential results from the literature. In this study, we show that attractive interactions result in yield stress and shear thinning rheology in the suspensions of rigid fibers. This is an important finding, given the ongoing discussion regarding the origin of the yield stress for suspensions of fibers. Finally, the ability of the proposed model to quantitatively predict the rheology is not limited to only shear thinning and yield stress but also extends to normal stresses.

42 ENGINEERING↗

Solar Modulation of Cosmic Nuclei over a Solar Cycle: Results from the Alpha Magnetic Spectrometer

We report the properties of precision time structures of cosmic nuclei He, Li, Be, B, C, N, and O fluxes over an 11-year solar cycle from May 2011 to November 2022 in the rigidity range from 1.92 to 60.3 GV. The nuclei fluxes show similar but not identical time variations with amplitudes decreasing with increasing rigidity. In particular, below 3.64 GV the Li, Be, and B fluxes, and below 2.15 GV the C, N, and O fluxes, are significantly less affected by solar modulation than the He flux. We observe that these differences in solar modulation are linearly correlated with the differences in the spectral indices of the cosmic nuclei fluxes. This shows, in a model-independent way, that solar modulation of galactic cosmic nuclei depends on their spectral shape. In addition, solar modulation differences due to nuclei velocity dependence on the mass-to-charge ratio (𝐴/𝑍) are not observed.

cosmic ray composition & spectra↗

Antiprotons and Elementary Particles over a Solar Cycle: Results from the Alpha Magnetic Spectrometer

We present results over an 11-year Solar cycle of cosmic antiprotons based on 1.1 × 10 6 events in the rigidity range from 1.00 to 41.9 GV. The $\bar{𝑝}$ fluxes exhibit distinct properties. The magnitude of the $\bar{𝑝}$ flux temporal variation is significantly smaller than those of 𝑝, 𝑒 − , and 𝑒 + . A hysteresis between the $\bar{𝑝}$ fluxes and the 𝑝 fluxes is observed, whereas the $\bar{𝑝}$ and 𝑒 − fluxes show a linear correlation. With a model-independent analysis, we found a universal relation between the shape of the rigidity spectrum and the magnitude of flux temporal variation over an 11-year Solar cycle for both positively and negatively charged particles. The simultaneous results on $\bar{𝑝}$ and 𝑝, 𝑒 − , and 𝑒 + provide unique information for understanding particle transport in the Solar System as a function of mass, charge, and spectral shape.

cosmic ray composition & spectra↗

Image registration for accurate electrode deformation analysis in operando microscopy of battery materials

Operando imaging techniques have become increasingly valuable in both battery research and manufacturing. However, the reliability of these methods can be compromised by instabilities in the imaging setup and operando cells, particularly when utilizing high-resolution imaging systems. The acquired imaging data often include features arising from both undesirable system vibrations and drift, as well as the scientifically relevant deformations occurring in the battery sample during cell operation. For meaningful analysis, it is crucial to distinguish and separately evaluate these two factors. To address these challenges, we employ a suite of advanced image-processing techniques. These include fast Fourier transform analysis in the frequency domain, power spectrum-based assessments for image quality, as well as rigid and non-rigid image-registration methods. These techniques allow us to identify and exclude blurred images, correct for displacements caused by motor vibrations and sample holder drift and, thus, prevent unwanted image artifacts from affecting subsequent analyses and interpretations. Additionally, we apply optical flow analysis to track the dynamic deformation of battery electrode materials during electrochemical cycling. This enables us to observe and quantify the evolving mechanical responses of the electrodes, offering deeper insights into battery degradation. Together, these methods ensure more accurate image analysis and enhance our understanding of the chemomechanical interplay in battery performance and longevity.

Sun, Tianxiao↗

One-dimensional alignment of defects in a flexible metal-organic framework

Crystalline materials are often considered to have rigid periodic lattices, while soft materials are associated with flexibility and nonperiodicity. The continuous evolution of metal-organic frameworks (MOFs) has erased the boundaries between these two distinct conceptions. Flexibility, disorder, and defects have been found to be abundant in MOF materials with imperfect crystallinity, and their intricate interplay is poorly understood because of the limited strategies for characterizing disordered structures. Here, we apply advanced nuclear magnetic resonance spectroscopy to elucidate the mesoscale structures in a defective MOF with a semicrystalline lattice. We show that engineered defects can tune the degree of lattice flexibility by combining both ordered and disordered compartments. The one-dimensional alignment of correlated defects is the key for the reversible topological transition. The unique matrix is featured with both rigid framework of nanoporosity and flexible linkage of high swellability.

36 MATERIALS SCIENCE↗

Confinement-induced chirality in phase-separated achiral polymer solutions

Self-organization of polymers in constrained geometries largely determines their applications in high-strength materials, photonics, and electronics. Chiral organization under confinement is well established for polymers with intrinsic molecular chirality; however, it has not been observed for achiral polymers. Here, we report the emergence of chirality in spatially confined solutions of achiral rigid-rod polymers. We show that kinetically arrested phase separation of polymer solutions confined to narrow capillaries resulted in alternating segments of isotropic and chiral nematic phases. The chiral structure of the nematic segments originated from the interplay between the constrained geometry, surface anchoring, orientational wetting, and elastic anisotropy of rigid-rod polymers. The catenoidal shape of the chiral structure recapitulated the morphology of biological chiral structures. These findings provide insight into the organization of soft matter under spatial confinement and offer a straightforward way to form chiral structures from achiral synthetic polymers.

Science & Technology - Other Topics↗

Triaxiality of neutron-rich ruthenium nuclei studied by lifetime measurements

The breaking of axial symmetry in nuclei enables otherwise precluded behaviours, making it an interesting phenomenon to study. Experimental fingerprints such as very low-lying $2^+_2$ states suggest pronounced triaxial deformation for the neutron-rich ruthenium isotopes. Nevertheless, theoretical calculations differ in the description of the triaxial deformation and its evolution with neutron number, making experimental data crucial to understanding it. We investigated the evolution of the degree of triaxiality and $γ$ rigidity in neutron-rich ruthenium isotopes by measuring lifetimes of excited states in 108-112 Ru with the recoil distance Doppler-shift method. The experiment was carried out at the Grand Accélérateur National d’Ions Lourds using the Advanced Gamma Tracking Array coupled to the Variable Mode Spectrometer. We obtained B(E2) values for 29 transitions in the studied nuclei and compared them with fully microscopic symmetry conserving configuration mixing calculations, and phenomenological generalized triaxial rotor and triaxial particle-rotor models. The models generally reproduce the measured transition strengths, and show an increase in triaxiality with neutron number, reaching near maximum triaxiality in 112 Ru. The results are consistent with a transition from soft to rigid motion as the neutron number increases.

Heines, Johannes Sorby [Univ. of Oslo (Norway); No↗

Alignment of the Alpha Magnetic Spectrometer (AMS) in space

Abstract The Alpha Magnetic Spectrometer (AMS) is a precision particle physics detector operating at an altitude of $$\sim 410$$ ∼ 410 km aboard the International Space Station. The AMS silicon tracker, together with the permanent magnet, measures the rigidity (momentum/charge) of cosmic rays in the range from $$\sim 0.5$$ ∼ 0.5 GV to several TV. In order to have accurate rigidity measurements, the positions of more than 2000 tracker modules have to be determined at the micron level by an alignment procedure. The tracker was first aligned using the 400 GeV/c proton test beam at CERN and then re-aligned using cosmic-ray events after being launched into space. A unique method to align the permanent magnetic spectrometer for a space experiment is presented. The developed underlying mathematical algorithm is discussed in detail.

47 OTHER INSTRUMENTATION↗

Wearable Sensors Measure Ankle Joint Changes of Patients with Parkinson’s Disease before and after Acute Levodopa Challenge

Background . Previous studies found levodopa could improve the activity of the ankle joints of patients with Parkinson’s disease (PD). But ankle joint movement is composed of four motion ranges. The specific changes of four motion ranges in PD remain unknown. Objective . The purpose of this study was to decompose the complex ankle joint movement, measure ankle joint changes before and after the acute levodopa challenge test (ALCT), and investigate the effects of these parameters on gait performance. Methods . 29 PD patients and 30 healthy control subjects (HC) completed the Instrumented Stand and Walk (ISAW) test and gait parameters were collected by the JiBuEn gait analysis system. The percentage of improvement of gait data and the UPDRS III in the on-drug condition (ON) were determined with respect to the off-drug condition (OFF). Results . We observed a reduction in the heel strike angle (HS), 3-plantarflexion (3-PF) angle, and 4-dorsiflexion (4-DF) angle of ankle joints. We did not find significant difference in the toe-off angle (TO), 1-plantarflexion (1-PF) angle, and 2-dorsiflexion (2-DF) angle among three groups. Stride length improvement rate was significantly correlated with HS ( r s = 0.616, P < 0.001 ) and 3-PF ( r s = 0.639, P < 0.001 ) improvement rates. The improvement in the sum of rigidity items (UPDRS motor subsection item 22) was also correlated with HS ( r s = 0.389, P = 0.037 ) and 3-PF ( r s = 0.373, P = 0.046 ) improvement rates. Conclusions . Exogenous levodopa supplementation can significantly reduce the rigidity of patients with PD, improve their 3-PF and 4-DF of ankle joint kinematic parameters, and ultimately enhance their gait.

Wu, Zhuang↗

pnnl/HNSRigidBodySimulator

HNS Rigid Body Simulatoris a tool for performing rigid-body dynamics simulations of nanoscale systems (e.g., macromolecular assemblies) in Python.

Marina, Sofia↗

Fluorogenic aptamers resolve the flexibility of RNA junctions using orientation-dependent FRET

To further understand the transcriptome, new tools capable of measuring folding, interactions, and localization of RNA are needed. Although Förster resonance energy transfer (FRET) is an angle- and distance-dependent phenomenon, the majority of FRET measurements have been used to report distances, by assuming rotationally averaged donor–acceptor pairs. Angle-dependent FRET measurements have proven challenging for nucleic acids due to the difficulties in incorporating fluorophores rigidly into local substructures in a biocompatible manner. Fluorescence turn-on RNA aptamers are genetically encodable tags that appear to rigidly confine their cognate fluorophores, and thus have the potential to report angular-resolved FRET. In this work, we use the fluorescent aptamers Broccoli and Mango-III as donor and acceptor, respectively, to measure the angular dependence of FRET. Joining the two fluorescent aptamers by a helix of variable length allowed systematic rotation of the acceptor fluorophore relative to the donor. FRET oscillated in a sinusoidal manner as a function of helix length, consistent with simulated data generated from models of oriented fluorophores separated by an inflexible helix. Analysis of the orientation dependence of FRET allowed us to demonstrate structural rigidification of the NiCo riboswitch upon transition metal-ion binding. This application of fluorescence turn-on aptamers opens the way to improved structural interpretation of ensemble and single-molecule FRET measurements of RNA.

59 BASIC BIOLOGICAL SCIENCES↗

Data for Greenhouse Gas Accounting Procedures in Low Carbon Fuel Policies Overlook the Spatial Variability of Miscanthus-Derived Sustainable Aviation Fuel

Low carbon fuel policies such as the U.S. Renewable Fuel Standard (RFS), Canada Clean Fuel Regulations (CFR), and California Low Carbon Fuel Standard (LCFS) as well as the 45Z tax credit are intended to reduce greenhouse gas (GHG) emissions from transportation. Cellulosic feedstocks, optimized biorefineries, and favorable farming locations can significantly reduce biofuel carbon intensity (CI). Despite advances in field-to-fuel GHG monitoring and flexibility in resource allocation within biorefineries (e.g., governing net electricity production), rigid CI accounting procedures in current policies may limit CI responsiveness across candidate sites and processing facilities. This work examines a hypothetical biomass-to-sustainable aviation fuel (SAF) pathway using miscanthus and alcohol-to-jet (i) to demonstrate how GHG accounting requirements drive estimates of biofuel CIs and (ii) to explore potential CI and financial implications of scenario-specific life cycle assessment (LCA). Results demonstrate that GHG accounting using the CFR/LCFS can reasonably account for distinct levels of net electricity production by a biorefinery, but only the CFR yields similar CI sensitivity to spatially explicit factors (feedstock CI, grid electricity CI) as scenario-specific LCA: most GHG accounting frameworks do not capture CI variation across candidate sites in the United States. Ultimately, this work demonstrates the importance of LCA methodological specifications in low carbon fuel policies and tax credits.

Miscanthus↗

Fast and versatile sequence-independent protein docking for nanomaterials design using RPXDock

Computationally designed multi-subunit assemblies have shown considerable promise for a variety of applications, including a new generation of potent vaccines. One of the major routes to such materials is rigid body sequence-independent docking of cyclic oligomers into architectures with point group or lattice symmetries. Current methods for docking and designing such assemblies are tailored to specific classes of symmetry and are difficult to modify for novel applications. Here we describe RPXDock, a fast, flexible, and modular software package for sequence-independent rigid-body protein docking across a wide range of symmetric architectures that is easily customizable for further development. RPXDock uses an efficient hierarchical search and a residue-pair transform ( RPX ) scoring method to rapidly search through multidimensional docking space. We describe the structure of the software, provide practical guidelines for its use, and describe the available functionalities including a variety of score functions and filtering tools that can be used to guide and refine docking results towards desired configurations.

59 BASIC BIOLOGICAL SCIENCES↗

Fully Recyclable Advanced Composites with Reduced Cure Times for Improved Manufacturing Efficiency

At Cyclotron Road, the participant team from Mallinda focused its research efforts on developing its Polyimine chemistry for commercial applications. The value-differentiating characteristics of the technology are predicated on the chemical reversibility of the system which opens the door for a number of industrial applications. In short, the company’s technology is a highly crosslinked thermoset polymer network that can exchange covalent bonds within the polymer matrix when the polymer is heated to the glass transition temperature of the material. This leads to a resin system that can alternate between rigid and semi-rigid states; allowing for compression molding, and surface welding of thermosetting composite materials made with polyimine polymers. This research project worked towards improving the thermal properties of its resin from 80 °C to over 260 °C. The improved properties of Mallinda’s resin unlocks development potential within the automotive and aerospace markets where advance composite materials require stringent performance requirements and elevated operating temperatures.

36 MATERIALS SCIENCE↗

FY2020-21 parameters for Gold ions in Booster, AGS, and RHIC

Sections 1 through 6 of this report give parameters for low-energy gold ions circulating in RHIC at injection and in AGS at extraction. Section 7 gives parameters for Au79+ ions circulating in RHIC at the standard injection magnetic rigidity of 81.11378003 Tm. Sections 8 through 10 give parameters for medium-energy Au79+ ions circulating in RHIC at 31.2, 26.5, 19.5, 13.5 GeV per nucleon. To reach these energies, acceleration in RHIC is required. The magnetic rigidity at RHIC injection for these setups is 60.3050632557 Tm. The corresponding ion energy is 7.30950517185 GeV per nucleon.

43 PARTICLE ACCELERATORS↗

Error Analysis on Numerical Integration Algorithms in a Hypoelasticity Framework

This report determines local truncation errors for common stress integration algorithms used in explicit finite element codes with hypoelastic material models. The hypoelastic integration algorithms in question utilize an operator splitting procedure in a rotation neutralized configuration, where the stress response is determined from de- coupling the total deformation into rotational and strain dependent components. This document analyzes the error in evolving the stress given a one-step time increment Δt and compares the errors associated with both the rotational and strain components of the operator splitting method. A slight modification to a traditional algorithm is proposed and studied, where the rate of deformation is appropriately rotated from the midstep configuration at t n+1/2 to the end step configuration at t n+1 before the constitutive evaluation. The proposed modification either completely eliminates the error associated with the rotation rate or is of the same order of magnitude as the original algorithm for the three test cases considered in this report. These cases consist of an unaxial stretch with a constant true strain rate with a rigid body rotation, an uniaxial stretch with a constant engineering strain rate with a rigid body rotation, and a simple shear deformation. All three cases are compared to a closed form solution, and in almost every test case the alternative algorithm yields the most accurate one-step local truncation error.

97 MATHEMATICS AND COMPUTING↗

DOE WPTO FY2021 Seedling End Report: Coupling Soil-Foundation Models to MHK Device Dynamic Models to Tighten the Design Envelope

The purpose of this Seedling project is to couple a marine renewable energy (MRE) dynamics simulation software with the soil-foundation models in the OC6 Phase II project [Bergua et al., 2021] and evaluate the software’s performance. This is a first step to accurately evaluating soil-foundation impacts on other types of MRE, like wave or current energy converters (WECs, CECs). OC6 Phase II compares offshore wind turbine (OWT) simulations using several different soil-foundation models to identify and fill key gaps in soil-foundation analyses. WEC-Sim was chosen to model the OC6 Phase II offshore wind turbine and various load cases because of its adaptability, accuracy of hydrodynamic loads, and ability to apply an arbitrary wind loading. Of the four methods used in OC6, the apparent fixity soil-foundation method was coupled with WEC-Sim. Technical challenges with flexible hydrodynamic bodies, added mass and external function libraries inhibited the ability to compare the WEC-Sim results to other OC6 participants. These challenges required that the WEC-Sim model of the OC6 OWT use a combination of rigid and flexible bodies to ensure a numerically stable solution. The rigid monopile creates a more stiff system and causes smaller amplitude motion under hydrodynamic loading and higher dominant frequency of motion under wind loading. These discrepancies are expected based on the increased stiffness of the WEC-Sim case.

16 TIDAL AND WAVE POWER↗

Design of functional materials based on new principles of disorder. Final Report

Disorder is present to some extent in every material. The disorder can be sparse and localized – individual defects – or globally such as in a glass. Normally disorder is considered to be detrimental to function. However, this is not necessarily always the case. This project addressed the question: How does disorder provide new potentialities for the behavior of a material that would be absent in a crystalline material of the same composition? We have discovered a new principle for disordered matter: Independence of bond-level response. This work has introduced the possibility of creating new classes of mechanical meta-materials with applications everywhere from microscopic biological molecules (allostery) to large scale architectural disordered networks. During the course of this grant, we have subsequently elaborated on these novel ideas about bond-level independence of properties in disordered materials. In particular, this study has required that we understand the limits of disorder. That is, if crystals are perfect order, is there another diametrically opposed pole which is the most disordered state? We have shown that, in a well-defined way, jamming is one extreme disordered pole of rigid matter. Jamming is a far-from-equilibrium way of creating a rigid solid by rapidly quenching a random distribution of particles to a mechanically stable system at zero temperature. To understand the jammed state of matter, we have elucidated the low-frequency excitation of these systems. This has allowed a new way of understanding materials that cannot be easily classified as crystals or glasses. These ideas can be extended to address the mechanical properties of polycrystalline matter. Memory formation in matter can take inspiration from memory that occurs in a biological context. The issue of memory formation raises another set of questions at the heart of how the energy landscape is organized and how it can be manipulated to store information in a solid. This project has explored how to understand the degree to which multiple memories can be stored in a single system and has created a holistic understanding of how inputs can be used to create a desired response.

36 MATERIALS SCIENCE↗