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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Metallurgical Analysis and Forward Modeling of Weld Distortion in SMR Containment Vessels

This work aimed to apply Sandia’s expertise in metallurgy and modeling to enable the use of hybrid laser arc welding for building nuclear reactor containment structures, via a collaboration with Holtec International. Experimental observations were coupled with finite element analysis to resolve microstructure development, mechanical properties, distortion, and residual stress in welds relevant to the production of the Holtec SMR-160. High residual stresses were observed in welds that were not subjected to preheat. Meanwhile, the microstructure of the welds generally exhibited a narrow heat affected zone relative to conventional arc welds. FEA appeared to be effective in simulating the thermal/mechanical conditions that occur during hybrid laser arc welding of simplified and instrumented test welds. Subsequently, FEA was used to perform sensitivity analyses for various weld geometries that would be prohibitively costly to assess with physical experiments. Insights from the study were used to inform Holtec’s welding process, and successful production welds were performed in 2025.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1994

Effects of plasma hydrogenation on trapping properties of dislocations in heteroepitaxial InP/GaAs

In previous work, we have demonstrated the effectiveness of a post-growth hydrogen plasma treatment for passivating the electrical activity of dislocations in metalorganic chemical vapor deposition (MOCVD) grown InP on GaAs substrates by a more than two order of magnitude reduction in deep level concentration and an improvement in reverse bias leakage current by a factor of approximately 20. These results make plasma hydrogenation an extremely promising technique for achieving high efficiency large area and light weight heteroepitaxial InP solar cells for space applications. In this work we investigate the carrier trapping process by dislocations in heteroepitaxial InP/GaAs and the role of hydrogen passivation on this process. It is shown that the charge trapping kinetics of dislocations after hydrogen passivation are significantly altered, approaching point defect-like behavior consistent with a transformation from a high concentration of dislocation-related defect bands within the InP bandgap to a low concentration of individual dislocation related deep levels, before and after passivation. It is further shown that the 'apparent' activation energies of dislocation related deep levels, before and after passivation, reduce by approximately 70 meV as DLTS fill pulse times are increased from 1 microsecond to 1 millisecond. A model is proposed which explains these effects based on a reduction of Coulombic interaction between individual core sites along the dislocation cores by hydrogen incorporation. Knowledge of the trapping properties in these specific structures is important to develop optimum, low loss heteroepitaxial InP cells.

Ringel, S. A.↗
NASA NTRS1995

Superconductivity devices: Commercial use of space

The work described in this report covers various aspects of the Rainbow solid-state actuator technology. It is presented in six parts dealing with materials, processing, fabrication, properties and associated phenomena. The Rainbow actuator technology is a relatively new materials development which had its inception in 1992. It consists of a new processing technology for preparing piezoelectric and electrostrictive ceramic materials. It involves a high temperature chemical reduction process which leads to an internal pre-stressing of the oxide wafer, thus the name Rainbow, an acronym for Reduced And INternally Biased Oxide Wafer. Ceramics fabricated by this method produce bending-mode actuator devices which possess several times more displacement and load bearing capacity than present-day benders (unimorphs, bimorphs). It is anticipated that these solid-state, electromechanical actuators which can be used in a number of applications in space such as cryopump motors, anti-vibration active structures, autoleveling platforms, telescope mirror correctors and autofocusing devices. When considering any of these applications, the key to the development of a successful device is the successful development of a ceramic material which can produce maximum displacement per volt input; hence, this initiative involving a solid-state means for achieving unusually high electromechanical displacement can be significant and far reaching. An additional benefit obtained from employing the piezoelectric effect in these actuator devices is the ability to also utilize them as sensors; and, indeed, they can be used as both motor (actuator) and generator (sensor) in multifunction devices.

Haertling, Gene↗
DOE OSTI2026

Tailored Silicone Network Architecture for Ultimate Mechanical Reinforcement

Hydrosilylation cured silicone elastomers are subject to reaction inefficiency, leading to incomplete and non-uniform crosslink networks, restricting the potential of mechanical reinforcement. This work investigates pre-synthesized, functional PDMS architectures as additives to improve ultimate mechanical performance relative to conventional single-step curing. Three custom, functional structures were prepared: a partially crosslinked PDMS scaffold (Structure A), a bottle-brush PDMS (Structure B), and a star-shaped PDMS derived from an MQ resin (Structure C). Rheological characterization was used to identify the ultimate design space and proper stoichiometric ratio for Structure A, and confirm successful formation of all structures for suitable incorporation into a base silicone formulation at 30wt%. Mechanical tests indicated that all three structures increased in ultimate tensile strength relative to their single-step counterparts, with Structure A providing additional improvements to toughness (432 vs. 258 kJ/m3) and ultimate elongation (158 vs. 115%). Furthermore, Structure B remained very soft in the unfilled state, while Structure C provided hardness (23 vs. 18 Shore A) and stiffness (780 vs. 420 kPa Young’s modulus) increases. In silica filled systems, Structure A retained increased strength but reduced elongation, while Structure B indicated strong reinforcement in terms of strength, toughness, and stiffness. Thermal analysis on the cure profiles of these materials suggested that pre-formation of network architectures enable a more complete reaction than a single-step process (15.9 vs. 15.1 J/g). Ultimately, these results indicate that tailoring PDMS architecture before the final cure can improve ultimate mechanical properties via improved network development in silicone elastomers. Furthermore, this work offers a promising strategy for designing higher-performance, more tunable silicone formulations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Structural stability, elemental ordering, and transport properties of layered ScTaN 2

Ternary transition metal (TM) nitrides have gained significant attention in thin film research due to their promising properties for a broad range of applications. Particularly, some of the ternary TM nitrides have been predicted to adopt layered structures that make them interesting for thermoelectric conversion and quantum materials applications. Unfortunately, synthesis of TM ternary nitride films by physical vapor deposition often favors disordered 3D structures rather than the predicted 2D-like layered structure. In this study, we investigate the structural interplay in the Sc-Ta-N ternary system using a combinatorial approach. Combinatorial libraries S⁢c 𝑥 ⁢T⁢a 1−𝑥 ⁢N are synthesized following a two-step method: First, deposit film precursors by cosputtering and then process the resulting 3D-structured samples with rapid thermal annealing. Synchrotron grazing-incidence wide-angle x-ray scattering on films annealed at 1200 ⁢°⁢C for 20 min leads to the nucleation of ScTaN 2 layered structure (𝑃⁢6 3 /𝑚⁢𝑚⁢𝑐) near stoichiometry. We find that the layered structure can accommodate large off-stoichiometry in the Ta-rich region (𝑥 < 0.5), facilitated by the alloying with quasi-isostructural Ta 5 ⁢N 6 compound that exists on a composition tie line at 𝑥 = 0. While focusing on ScTaN 2 , we estimate the long-range order parameter in near-stoichiometric films to be 0.86, corresponding to a fraction of Sc/Ta antisites of 7%. Transport measurements on ScTaN 2 reveal a nearly temperature-independent high carrier density (10 21 c⁢m −3 ), suggesting a heavily doped semiconductor or semimetallic character, consistent with a small positive Seebeck coefficient of +19 µV/K. The carrier mobility at 2 K is relatively small (9.5c⁢m 2 V −1 s −1 ) and the residual-resistivity ratio is minor, suggesting that electrical conduction is dominated by defects or disorder. Measured magnetoresistance suggests possible weak antilocalization at 2 K. This paper highlights the interplay between ScTaN 2 and Ta 5 ⁢N 6 crystal structures in stabilizing layered materials, emphasizes the importance of cation order/disorder for potential tunable alloys, and suggests that ScTaN 2 is a promising platform for exploring electronic properties.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Solar modulation of the cosmic radiation in the heliosphere

Changes in the solar modulation of galactic and anomalous component cosmic rays reflect changes in the structure and magnetic topology of the interplanetary medium. Therefore, to the extent that the modulation process is understood, the cosmic rays can be used as a probe of the medium to infer the extent and structure of the heliosphere in regions not directly sampled by spacecraft. The challenge to modulation theory and observation has been to determine which properties of the solar wind are most important for producing the observed modulation. Significant progress has been made in answering this question during the last solar cycle using observations from spacecraft at radii to 40 AU from the Sun and at latitudes up to 30 degrees with respect to the ecliptic. A brief summary of new results and observations (with specific attention to the STIP intervals XV-XIX) will be presented to illustrate the present state of our understanding of the relation between the solar wind and interplanetary magnetic field and the modulations of the cosmic radiation.

Mckibben, R. B.↗
NASA NTRS2004

Advanced SiC/SiC Ceramic Composites For Gas-Turbine Engine Components

NASA Glenn Research Center (GRC) is developing a variety of advanced SiC/SiC ceramic composite (ASC) systems that allow these materials to operate for hundreds of hours under stress in air at temperatures approaching 2700 F. These SiC/SiC composite systems are lightweight (approximately 30% metal density) and, in comparison to monolithic ceramics and carbon fiber-reinforced ceramic composites, are able to reliably retain their structural properties for long times under aggressive gas-turbine engine environments. The key for the ASC systems is related first to the NASA development of the Sylramic-iBN Sic fiber, which displays higher thermal stability than any other SiC- based ceramic fibers and possesses an in-situ grown BN surface layer for higher environmental durability. This fiber is simply derived from Sylramic Sic fiber type that is currently produced at ATK COI Ceramics (COIC). Further capability is then derived by using chemical vapor infiltration (CVI) and/or polymer infiltration and pyrolysis (PIP) to form a Sic-based matrix with high creep and rupture resistance as well as high thermal conductivity. The objectives of this study were (1) to optimize the constituents and processing parameters for a Sylramic-iBN fiber reinforced ceramic composite system in which the Sic-based matrix is formed at COIC almost entirely by PIP (full PIP approach), (2) to evaluate the properties of this system in comparison to other 2700 F Sylramic-iBN systems in which the matrix is formed by full CVI and CVI + PIP, and (3) to examine the pros and cons of the full PIP approach for fabricating hot-section engine components. A key goal is the development of a composite system with low porosity, thereby providing high modulus, high matrix cracking strength, high interlaminar strength, and high thermal conductivity, a major property requirement for engine components that will experience high thermal gradients during service. Other key composite property goals are demonstration at high temperatures of high environmental resistance and high creep resistance, which in turn will result in long component life. Data are presented from a variety of laboratory tests on simple two-dimensional panels that examine these properties and compare the performance of the optimized full PIP system with those of the full CVI and CVI + PIP hybrid systems. Underlying mechanisms for performance differences in the various systems are discussed. Remaining issues for further property enhancement and for application of the full PIP approach for engine components are also discussed, as well as on-going approaches at NASA to solve these issues.

H. M. Yun↗
DOE OSTI2025

Chiral-odd generalized parton distributions in the large-𝑁 𝑐 limit of QCD: Spin-flavor structure, polynomiality, and sum rules

We study the nonperturbative properties of the nucleon’s chiral-odd generalized parton distributions (transversity GPDs) in the large-𝑁 𝑐 limit of QCD. This includes the parametric ordering of the spin-flavor components, the polynomiality property of the moments, and the sum rules connecting the GPDs with the tensor form factors. A multipole expansion in the transverse momentum transfer is used to enumerate and interpret the structures in the nucleon matrix element of the chiral-odd partonic operator, including monopole, dipole and quadrupole terms. The 1/𝑁 𝑐 expansion of the GPDs is performed using the abstract mean-field picture of baryons in the large-𝑁 𝑐 limit and its symmetries. We derive a large-𝑁 𝑐 relation between the flavor-nonsinglet GPDs 𝐸$^{𝑢−𝑑}_𝑇$ and $\tilde{𝐻}^{𝑢−𝑑}_𝑇$ and test it with recent lattice QCD results. We show that the polynomiality property and sum rules of the GPDs are fulfilled with the restricted realization of translational and rotational invariance in the mean-field picture. The results provide a basis for the phenomenological analysis of chiral-odd GPDs and hard exclusive processes in the large-𝑁 𝑐 limit, and for calculations in specific dynamical models.

generalized parton distributions↗
DOE OSTI2026

ODIN: Confirmation and 3D Reconstruction of Six Massive Protoclusters at Cosmic Noon

Protoclusters represent sites of accelerated galaxy formation and extreme astrophysical activity characteristic of dense environments. Identifying massive protoclusters and mapping their spatial structures are therefore crucial for understanding how large-scale environment influences galaxy evolution. We combine wide-field Lyα imaging from the One-hundred-deg$^{2}$ DECam Imaging in Narrowbands survey with extensive Dark Energy Spectroscopic Instrument and ancillary spectroscopy across the extended COSMOS and XMM Large Scale Structure (LSS) fields (≈14 deg$^{2}$) to search for massive protoclusters. We confirm six systems at z ≈ 2.4 and ≈ 3.1, including three newly identified structures and three which overlap with previously known structures and/or systems detected using other tracers. We reconstruct their three-dimensional structures, estimate descendant halo masses, and for one structure at z ≈ 3.12, demonstrate that overlapping narrowband filters (NB497 and N501) provide accurate redshift tomography for emission-line galaxies. One protocluster at z ≈ 2.45 overlaps with one of the LATIS tomographic fields, enabling direct comparison between galaxy and H i overdensities traced by Lyα forest absorption. Another at z ≈ 3.12 hosts a massive quiescent galaxy (M$_{*}$ ≈ 1.2 × 10$^{11}$M$_{⊙}$), suggesting that overdense environments may play a role in accelerating galaxy assembly and quenching. Comparing Lyα emission properties across environments, we find that protocluster galaxies exhibit higher median line fluxes and a deficit of faint emitters relative to the field. The effect is strongest when combining 2D and 3D density information, indicating that galaxies in the densest protocluster cores are most affected by environmental processes. This effect is stronger at z ≈ 3.1 than at z ≈ 2.4, suggesting possible redshift evolution.

Ortiz, Ashley [Purdue U.] (ORCID:000900083184304X)↗
NASA NTRS1998

Nuclear Instruments and Methods in Physics Research: Microstructural Characterization of Semi-Interpenetrating Polymer Networks by Positron Lifetime Spectroscopy - Section B

Thermoset and thermoplastic polyimides have complementary physical/mechanical properties. Whereas thermoset polyimides are brittle and generally easier to process, thermoplastic polyimides are tough but harder to process. It is expected that a combination of these two types of polyimides may help produce polymers more suitable for aerospace applications. Semi-Interpenetrating Polymer Networks (S-IPNs) of thermoset LaRC(Trademark)-RP46 and thermoplastic LARC(Trademark)-IA polyimides were prepared in weight percent ratios ranging from 100:0 to 0: 100. Positron lifetime measurements were made in these samples to correlate their free volume features with physical/mechanical properties. As expected, positronium atoms are not formed in these samples. The second life time component has been used to infer the positron trap dimensions. The "free volume" goes through a minimum at about 50:50 ratio, suggesting that S-IPN samples are not merely solid solutions of the two polymers. These data and related structural properties of the S-IPN samples have been discussed in this paper.

Singh, Jag J.↗
DOE OSTI2024

The Toughness of Interlocking Metasurfaces

Interlocking metasurfaces (ILMs) are arrays of autogenous latching unit cells patterned across a surface. These create structural joints similar to bioinspired suture joints but patterned over a 2D surface rather than a 1D seam. This enables ILMs to be an alternative to conventional joining technologies such as bolts, welds, and adhesives. However, compared to conventional joining methods, relatively little is known of the engineering considerations for designing structural ILMs. Herein, the interfacial toughness of an archetypal ILM is examined for the first time. Under the conditions studied here, the ILM is substantially tougher than the material from which it is made, in this case, exhibiting up to a 50% increase in interfacial crack initiation energy over the solid base material, a photocured 3D‐printed polymer. Through experimental tests using in‐situ digital image correlation along with complementary computational analyses, the mechanism of toughening in the ILM structure and the origins of toughness anisotropy are revealed. The increase in toughness is associated with cross‐cell interactions, that is, load‐sharing across unit cells, which give rise to a finite process zone length with different effective material properties. In this way, ILM toughening is analogous to crack blunting in ductile materials or fiber bridging in composites; yet here, the ILM is composed of a single‐phase base material and so the architected toughening is geometric in nature and hence amenable to future topological optimization.

fracture↗
DOE OSTI2026

Design Principles for the Synthesis of Self-Pillared ZSM-5 Zeolite Nanosheets

The design of next-generation materials for emerging energy and environmental applications heavily relies on empirical approaches to direct nonclassical nucleation and crystal growth pathways, polymorphism, intercrystalline transformations, and seed-assisted growth processes. A long-standing obstacle to nanoporous materials design is the complexity of their crystallization, which hinders the development of predictive models and/or physical descriptors that can guide their synthesis. In this study, we use a combination of state-of-the-art synthesis, characterization, and computational design to prepare hierarchical MFI-type zeolites, which we couple with benchmark catalytic testing to assess structure-property-performance relationships. These hierarchical materials are intergrowths of two commercially relevant zeolite frameworks, MFI and MEL, prepared as self-pillared pentasil (SPP) zeolites through seed-assisted, organic-free syntheses for which little theoretical guidance existed. Here, by comparing a large library of zeolite seeds with different pore sizes, dimensions, and structural composite building units, we determined the relative impact of seed and silica source selection, among other synthesis variables. Combined experimental and computational studies are used to test several hypotheses in literature to rationalize the choice of seed structure and establish a more robust selection criteria for seed-assisted synthesis of zeolites. Specifically, we show that a data-driven approach to develop structural descriptors correlates to new, facile routes to rationally design SPP zeolites, addressing knowledge gaps in the fundamental understanding of (non)classical crystal growth mechanisms that are characteristic of nanoporous aluminosilicates.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Spectroscopic measurements of element abundances in the solar corona: Variations on the FIP theme

Solar wind and solar energetic particle (SEP) data yield systematic differences between elemental abundances in the corona and in the photosphere related to the first ionization potential (FIP) of the elements: low-FIP elements are preferentially enhanced relative to high-FIP elements by about a factor of four. Spectroscopic studies of the inner corona show that such a pattern may apply on average but not in detail for coronal loops: substantial abundance differences occur between different types of coronal structures, and variations have been found from flare to flare, from one active region to another, and over time in the same region; further, in some flares, anomalies such as enhanced Ne:O ratios, distinctly at odds with the FIP pattern, show that a competing element selection mechanism sometimes operates. Details of the observed abundance variability -- such as the magnitude of the variations, the relevant temporal and spatial scales, and correlations with other properties of the given coronal structure -- may give important clues to the processes which supply and heat the corona, or they may reflect the changing physical conditions or locations where those processes take place. However, many such details remain to be established definitively. At present, abundance variability is primarily a major complication to data analysis and interpretation. However, once it is better understood, it may provide a new diagnostic tool for probing the lower layers of the solar atmosphere.

Saba, J. L. R.↗
NASA NTRS1996

Microstructural Characterization of Semi-Interpenetrating Polymer Networks by Positron Lifetime Spectroscopy

Thermoset and thermoplastic polyimides have complementary physical and mechanical properties. Whereas thermoset polyimides are brittle and generally easier to process, thermoplastic polyimides are tough but harder to process. A combination of these two types of polyimides may help produce polymers more suitable for aerospace applications. Semi-Interpenetrating Polymer Networks (S-IPN) of thermoset LaRC(TM)-RP46 and thermoplastic LaRC(TM)-IA polyimides were prepared in weight percent ratios ranging from 100:0 to 0:100. Positron lifetime measurements were made in these samples to correlate their free volume features with physical and mechanical properties. As expected, positronium atoms are not formed in these samples. The second lifetime component has been used to infer the positron trap dimensions. The 'free volume' goes through a minimum at a ratio of about 50:50, and this suggests that S-IPN samples are not merely solid solutions of the two polymers. These data and related structural properties of the S-IPN samples are discussed.

Singh, Jag J.↗
DOE OSTI2026

Processing-Dependent Structure and Poroelasticity of Nafion in Liquid Water

Ionomers act as the solid polymer electrolyte membrane in many modern electrochemical devices, yet the role of their nanostructure in modulating the poroelastic response remains poorly understood, especially in liquid water, where few techniques can measure simultaneous transport-mechanical properties. Poroelastic Relaxation Indentation (PRI) is uniquely suited for measuring time-dependent transport-mechanical properties of porous solids, specifically hydraulic diffusivity, elastic modulus, Poisson’s ratio, and intrinsic permeability, for porous solids. While ionomers such as Nafion are not porous in the typical sense, Nafion has a nanophase-segregated structure that, when fully swollen in liquid water, behaves as a poroelastic solid with a coupled mechanical-transport response. Using a poroelastic framework, we investigate how casting and pretreatment of Nafion membranes alter their poroelastic response in liquid environments. We characterize both extruded and dispersion-cast Nafion membranes pretreated in water at 25 or 100 °C and relate the mechanical-transport properties to the ionomer structure via hydrophilic and intercrystalline domain spacing measured using Small-Angle X-ray Scattering (SAXS). At 25 °C, dispersion-cast membranes exhibit distinctly lower hydraulic diffusivity and intrinsic permeability than extruded membranes but with comparable mechanical properties. Pretreatment at 100 °C increases hydrophilic domain spacing, improving transport but at the expense of mechanical stiffness. Dispersion-cast membranes respond more strongly to pretreatment than extruded membranes. Using the Carman-Kozeny pore network model and the hydrophilic domain-spacing, we estimate the pore radius and tortuosity to show how pretreatment reduces structure-related tortuosity differences between dispersion-cast and extruded membranes. Here, in this work, we show that nanophase-segregated materials such as Nafion can be rigorously characterized using poroelasticity, resulting in physically meaningful transport-mechanical properties. Coupling PRI with SAXS provides insights into the nanostructural features that govern the coupled mechanical-transport response. By establishing PRI for a nanophase-segregated material, this approach opens avenues for this technique’s application in other hydrated polymeric materials not typically considered to be poroelastic.

Shen, Margaret [University of California, Berkeley↗
NASA NTRS1994

Assessment of impact damage of composite rocket motor cases

This contract reviewed the available literature on mechanisms of low velocity impact damage in filament wound rocket motor cases, MDE methods to quantify damage, critical coupon level test methods, manufacturing and material process variables and empirical and analytical modeling off impact damage. The critical design properties for rocket motor cases are biaxial hoop and axial tensile strength. Low velocity impact damage is insidious because it can create serious nonvisible damage at very low impact velocities. In thick rocket motor cases the prevalent low velocity impact damage is fiber fracture and matrix cracking adjacent to the front face. In contrast, low velocity loading of thin wall cylinders induces flexure, depending on span length and the flexure induces delamination and tensile cracking on the back face wall opposed to impact occurs due to flexural stresses imposed by impact loading. Important NDE methods for rocket motor cases are non-contacting methods that allow inspection from one side. Among these are vibrothermography, and pulse-echo methods based on acoustic-ultrasonic methods. High resolution techniques such as x-ray computed tomography appear to have merit for accurate geometrical characterization of local damage to support development of analytical models of micromechanics. The challenge of coupon level testing is to reproduce the biaxial stress state that the full scale article experiences, and to determine how to scale the composite structure to model full sized behavior. Biaxial tensile testing has been performed by uniaxially tensile loading internally pressurized cylinders. This is experimentally difficult due to gripping problems and pressure containment. Much prior work focused on uniaxial tensile testing of model filament wound cylinders. Interpretation of the results of some studies is complicated by the fact that the fabrication process did not duplicate full scale manufacturing. It is difficult to scale results from testing subscale cylinders since there are significant differences in out time of the resins relative to full scale cylinder fabrication, differences in hoop fiber tensioning and unsatisfactory coupon configurations. It appears that development of a new test method for subscale cylinders is merited. Damage tolerance may be improved by material optimization that uses fiber treatments and matrix modifications to control the fiber matrix interface bonding. It is difficult to develop process optimization in subscale cylinders without also modeling the longer out times resins experience in full scale testing. A major breakthrough in characterizing the effect of impact damage on residual strength, and understanding how to scale results of subscale evaluations, will be a sound micromechanical model that described progressive failure of the composite. Such models will utilize a three dimensional stress analysis due to the complex nature of low velocity impact stresses in thick composites. When these models are coupled with non-contact NDE methods that geometrically characterize the damage and acoustic methods that characterize the effective local elastic properties, accurate assessment of residual strength from impact damage may be possible. Directions for further development are suggested.

Paris, Henry G.↗
DOE OSTI2024

Direct observation of ultrafast cluster dynamics in supercritical carbon dioxide using X-ray Photon Correlation Spectroscopy

Supercritical fluids exhibit distinct thermodynamic and transport properties, making them of particular interest for a wide range of scientific and engineering applications. These anomalous properties emerge from structural heterogeneities due to the formation of molecular clusters at conditions above the critical point. While the static behavior of these clusters and their effects on the thermodynamic response functions have been recognized, the relation between the ultrafast cluster dynamics and transport properties remains elusive. By measuring the intermediate scattering function in carbon dioxide at conditions near the critical point with X-ray photon correlation spectroscopy, we directly capture the cross-over dynamics between 4 and 13 picoseconds, revealing the transition between ballistic and diffusive motion. Complementary analysis using large-scale molecular dynamics simulations reveals that this behavior arises from collisions between unbound molecules and clusters. This study provides direct evidence of the ultrafast momentum exchange between clusters, which has significant impact on transport properties, solvation processes, and reaction kinetics in supercritical fluids.

carbon capture and storage↗
DOE OSTI2025

Stereochemical Control of Water Transport Properties in Thiol‐yne Polymers

Barrier polymers underpin almost every commercial sector, yet the needs of several emerging areas remain unmet by commercially‐available materials, including temporary orthopedic implants, transient health monitors, neural implants, and other long‐term implants. The ability to tune polymer composition independently of polymer structure positions thiol‐yne click chemistry as a promising platform to serve these emerging technologies. Here, this work describes the differences in the hierarchical structure of stoichiometrically identical materials which differ only in the proportion of the cis versus trans backbone alkene stereochemistry. Varying the isomer content in this way directs different temperature and rate dependent crystallization behavior, which affords control over micron‐scale structure. This investigation focuses on how these stereochemical features affect the water vapor permeation process by several methods and develops an understanding of how this unique structural regularity improves barrier performance relative to a commercially available water barrier polymer, poly(ethylene terephthalate).

77 NANOSCIENCE AND NANOTECHNOLOGY↗