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DOE OSTI2023

Scaling Containment on a Large Centrifuge

Containment science concerns the trapping or leakage of radioactive cavity gases from underground nuclear explosions (UNEs). The most physically relevant data for validation of containment science comes from legacy UNE testing or large field-scale chemical explosions. Field-scale tests can inform on the degree of residual stress imparted to host geology and possible formation of an accompanying gas-containing “stress cage”, for example, as a function of chemical explosion yield. However, field testing can be expensive, difficult to conduct, and challenging to instrument with limitations on data coverage (i.e., the number of boreholes; difficult coring through damage zones). Small-scale laboratory tests are typically simpler to conduct and more thoroughly characterize, but may not include the right scale of containment processes for stress-cage or chimney formation. This report presents the theory and fundamentals of large centrifuge physical modeling, including a history of explosive or similar testing relevant to containment science investigations on centrifuges. Subscale models with embedded chemical explosives in the enhanced gravity of a large centrifuge can represent hundreds of meters of depth and large explosions not otherwise attainable in the laboratory as based on scaling of length, energy, and other processes by the g-factor of the centrifuge (i.e., the number of times larger the centrifugal force is than the gravitational force on the Earth’s surface). The centrifuge uniquely joins the simplicity and exhaustiveness of laboratory-scale characterization with the physics of field-scale processes. This report is part of Sandia National Laboratories’ (SNL’s) effort to prepare for physical modeling with approximately one-meter tall geologic models of stress cage and/or chimney formation on its 29-foot [8.84 m] radius centrifuge with a load capacity of 1.6 million 𝑔-pounds [726 𝑔-ton]. The scaling relationships herein will inform model design decisions and performance requirements for in-flight sensors.

42 ENGINEERING↗

DOE OSTI2026

MONet/1000 Soils metagenome pathway modelling narrative w/ auto batch import

This narrative performs metabolic modeling and flux balance analysis (FBA) using metagenome-assembled genomes (MAGs) from the 1000 Soils samples, as described by Song et al. (2026, accepted). The set of MAGs (in FASTA format) is converted into a set of assembly objects compatible with functional annotation via RASTtk, yielding a set of genome objects that undergo metabolic modeling via OMEGGA. These genome objects are then used to conduct FBA, generating tables of metabolite uptake rates across the MAGs under investigation.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Interface Reactions Responsible for Run-Out in Active Brazing: Part 1

The run-out phenomenon was observed in Ag-Cu-Zr active braze joints made between the alumina ceramic and Kovar™ base material. Run-out introduces a significant yield loss by generating functional and/or cosmetic defects in brazements. A prior study identified a correlation between run-out and the aluminum (Al) released by the reduction/oxidation and the latter’s reaction with the Kovar™ base material. A study was undertaken to understand the fundamental principles of run-out by examining the interface reaction between Ag-xAl filler metals (x=2, 5, and 10 wt.%) and Kovar™ base material. Sessile drop samples were fabricated using brazing temperatures of 965°C or 995°C and times of 5 min or 20 min. The correlation was made between the degree of wetting-and-spreading by the sessile drops and the run-out phenomenon. Wetting-and-spreading increased with Al content (x) of the Ag-xAl filler metal, but was largely insensitive to the brazing process parameters. The increased Al concentration resulted in higher Al contents of the (Fe, Ni, Co) x Al y reaction layer. Run-out was predicted when the filler metal has a locally-elevated, Al content exceeding 2 – 5 wt.%. Lastly, several mitigation strategies were proposed, based upon these findings.

36 MATERIALS SCIENCE↗

DOE OSTI2021

A Rate Theory Model of Radiation-Induced Swelling in an Austenitic Stainless Steel

Many rate theory models of cavity (void) swelling have been published over the past 50 years, all having the same, or similar, structures. A rigorous validation of the models has not been possible because of the dearth of information concerning the microstructures that correspond with the swelling data. Whereas the lack of microstructure information is still an issue for historical swelling data, in the past 10–20 years data have been published on the evolution of the microstructure (point defect yields from collision cascades, cavity number densities, and dislocation densities/yield strengths) allowing certain gaps in information to be filled when considering historic swelling data. With reasonable estimates of key microstructure parameters, a standard rate theory model can be applied, and the model parameter space explored, in connection with historical swelling data. By using published data on: (i) yield strength as a function of dose and temperature (to establish an empirical expression for dislocation density evolution); (ii) cavity number densities as a function of temperature; and (iii) freely migrating defect (FMD) production as a function of primary knock-on atom (PKA) spectrum, the necessary parameter and microstructure inputs that were previously unknown can be used in model development. This paper describes a rate-theory model for void swelling of 316 stainless steel irradiated in the EBR-2 reactor as a function of irradiation temperature and neutron dose.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Filled Elastomers: Mechanistic and Physics-Driven Modeling and Applications as Smart Materials

Elastomers are made of chain-like molecules to form networks that can sustain large deformation. Rubbers are thermosetting elastomers that are obtained from irreversible curing reactions. Curing reactions create permanent bonds between the molecular chains. On the other hand, thermoplastic elastomers do not need curing reactions. Incorporation of appropriated filler particles, as has been practiced for decades, can significantly enhance mechanical properties of elastomers. However, there are fundamental questions about polymer matrix composites (PMCs) that still elude complete understanding. This is because the macroscopic properties of PMCs depend not only on the overall volume fraction (ϕ) of the filler particles, but also on their spatial distribution (i.e., primary, secondary, and tertiary structure). This work aims at reviewing how the mechanical properties of PMCs are related to the microstructure of filler particles and to the interaction between filler particles and polymer matrices. Overall, soft rubbery matrices dictate the elasticity/hyperelasticity of the PMCs while the reinforcement involves polymer–particle interactions that can significantly influence the mechanical properties of the polymer matrix interface. For ϕ values higher than a threshold, percolation of the filler particles can lead to significant reinforcement. While viscoelastic behavior may be attributed to the soft rubbery component, inelastic behaviors like the Mullins and Payne effects are highly correlated to the microstructures of the polymer matrix and the filler particles, as well as that of the polymer–particle interface. Additionally, the incorporation of specific filler particles within intelligently designed polymer systems has been shown to yield a variety of functional and responsive materials, commonly termed smart materials. We review three types of smart PMCs, i.e., magnetoelastic (M-), shape-memory (SM-), and self-healing (SH-) PMCs, and discuss the constitutive models for these smart materials.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Reconnaissance with JWST of the J-region Asymptotic Giant Branch in Distance Ladder Galaxies: From Irregular Luminosity Functions to Approximation of the Hubble Constant

Abstract We study stars in the J-regions of the asymptotic giant branch (JAGB) of near-infrared color–magnitude diagrams in the maser host NGC 4258 and four hosts of six Type Ia supernovae (SNe Ia): NGC 1448, NGC 1559, NGC 5584, and NGC 5643. These clumps of stars are readily apparent near 1.0 < F150W − F277W < 1.5 andm F150W = 22–25 mag with James Webb Space Telescope NIRCam photometry. Various methods have been proposed to assign an apparent reference magnitude to this recently proposed standard candle, including the mode, median, sigma-clipped mean, or a modeled luminosity function parameter. We test the consistency of these by measuring intrahost variations, finding differences of up to ∼0.2 mag that significantly exceed statistical uncertainties. Brightness differences appear intrinsic, and are further amplified by the nonuniform shape of the JAGB luminosity function, also apparent in the LMC and SMC. We follow a “many methods” approach to measure consistently JAGB magnitudes and distance moduli to the SN Ia host sample calibrated by NGC 4258. We find broad agreement with distance moduli measured from Cepheids, tip of the red giant branch, and Miras. However, the SN host mean distance modulus estimated via the JAGB method necessary to estimateH 0 differs by ∼0.19 mag among the above definitions, the result of different levels of luminosity function asymmetry. The methods yield a full range of 71−78 km s −1 Mpc −1 , i.e., a fiducial result ofH 0 = 74.7 ± 2.1(stat) ± 2.3(sys, ±3.1 if combined in quadrature) km s −1 Mpc −1 , with systematic errors limited by the differences in methods. Future work may seek to standardize and refine this promising tool further, making it more competitive with established distance indicators.

Astronomy & Astrophysics↗

DOE OSTI2025

Soil oxygen dynamics: a key mediator of tile drainage impacts on coupled hydrological, biogeochemical, and crop systems

Tile drainage removes excess water and is an essential, widely adopted management practice to enhance crop productivity in the US Midwest and throughout the world. Tile drainage has been shown to significantly change hydrological and biogeochemical cycles by lowering the water table and reducing the residence time of soil water, although examining the complex interactions and feedbacks in an integrated hydrology–biogeochemistry–crop system remains elusive. Oxygen dynamics are critical to unraveling these interactions and have been ignored or oversimplified in existing models. Understanding these impacts is essential, particularly so because tile drainage has been highlighted as an adaptation under projected wetter springs and drier summers in the changing climate in the US Midwest. We used the ecosys model that uniquely incorporates first-principle soil oxygen dynamics and crop oxygen uptake mechanisms to quantify the impacts of tile drainage on hydrological and biogeochemical cycles and crop growth in corn–soybean rotation fields. The model was validated with data from a multi-treatment, multi-year experiment in Washington, IA. The relative root mean square error (rRMSE) for the corn and soybean yield in validation is 5.66 % and 12.57 %, respectively. The Pearson coefficient (r) of the monthly tile flow during the growing season is 0.78. Plant oxygen stress turns out as an emergent property of the equilibrium between the soil oxygen supply and biological demand. The impact of tile drainage on the system is achieved through a series of coupled feedback mechanisms. The model results show that tile drainage reduces the soil water content and enhances soil oxygenation. It additionally increases the subsurface discharge and elevates inorganic nitrogen leaching, with seasonal variations influenced by climate and crop phenology. The improved aerobic condition alleviates crop oxygen stress during wet springs, thereby promoting crop root growth during the early growth stage. The development of greater root density, in turn, mitigates water stress during dry summers, leading to an overall increase in the crop yield by ∼6 %. These functions indicate the potential of tile drainage in bolstering crop resilience to climate change and the use of this modeling tool for large-scale assessments of tile drainage. The model reveals the underlying causal mechanisms that drive the agroecosystem response to drainage on the coupled hydrology, biogeochemistry, and crop system dynamics.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2026

Strengthening poly(lactic acid) composites with poly(methyl methacrylate) functionalized flax nanofibrils

Biobased reinforcements for poly(lactic acid) (PLA) are needed for more additive manufacturing applications requiring higher strength and sustainability. Flax nanofibrils (FNFs) produced through mechanical refining were explored as a lower energy alternative to cellulose nanofibril (CNF) reinforcements. To compatibilize the FNFs for the PLA matrix, a grafting-through surfactant free emulsion polymerization (SFEP) was performed to functionalize the FNF surface with poly(methyl methacrylate) (PMMA). FNFs produced using different refining energy were functionalized under varying solid contents in suspension. Polymerizations performed at 0.7 wt% FNFs in water yielded the highest degree of PMMA functionality. These optimal conditions were scaled up and the PMMA modified FNFs melt compounded into PLA yielding a 12% increase in tensile strength and 92% increase in the modulus of elasticity as compared to the original PLA. Interestingly, the FNFs with the lowest refining energy yielded the strongest composites using these methods, surpassing the higher refining energy CNF reinforcements. This increase was attributed to improved dispersion of the FNF reinforcements in the PLA matrix that was enabled by the PMMA coating on the FNF surface preventing interfibrillar adhesion and aggregation within the PLA matrix.

Mulligan, Abigail [University of Maine]↗

DOE OSTI2022

Long-term integrated soil-crop management improves soil microbial community structure to reduce GHG emission and increase yield

Integrated soil-crop management (ISCM) has been shown as an effective strategy to increase efficiency and yield while its soil microbial community structure and function remain unclear. We evaluated changes in soil physicochemical factors, bacterial community structure responses, and the contributions of soil properties and bacterial communities to summer maize-winter wheat yield and GHG emissions through an ISCM experiment [T1 (local smallholder farmers practice system), T2 (improved management system), T3 (high–yield production system), and T4 (optimized management system)], which could provide scientific guidance for sustainable development of soil in summer maize-winter wheat rotation system. The results showed that the optimized ISCM could improve the soil quality, which significantly changed the soil bacterial community structure to reduce GHG emissions and increase yield. The co-occurrence network density of T3 was increased significantly. The Acidobacteria (class) and OM190 (class) were enriched in T2 and T4. The Frankiales (order) and Gaiellales (order) were enriched in T3. However, the changes in different crop growth stages were different. At the wheat jointing stage and maize mature stage, T4 could enhance carbon-related functional groups, such as aromatic hydrocarbon degradation and hydrocarbon degradation, to increase the soil organic carbon content. And at the maize tasseling stage, T4 could enhance nitrogen-related functional groups. And soil bacteria structure and function indirectly affected annual yield and GHG emission. T2 and T4 exhibited a similar soil microbial community. However, the yield and nitrogen use efficiency of T2 were reduced compared to those of T4. The yield of T3 was the highest, but the GHG emission increased and soil pH and nitrogen use efficiency decreased significantly. Therefore, T4 was a suitable management system to improve soil quality and soil bacterial community structure and function to decrease GHG emissions and increase the yield of the summer maize-winter wheat rotation system.

Yu, Ningning↗

DOE OSTI2026

Identified charged hadron production in Au+Au collisions at $\sqrt{s_{NN}}$ = 54.4 GeV with the STAR detector

Here, we present results on the production of 𝜋±, 𝐾±, 𝑝, and $\bar{𝑝}$ in Au+Au collisions at $\sqrt{𝑠_{N⁢N}}$ = 54.4~GeV using the STAR detector at RHIC, at mid-rapidity (|𝑦|< 0.1). Invariant yields of these particles as a function of transverse momentum are shown. We determine bulk properties such as integrated particle yields (𝑑 ⁢𝑁 /𝑑 ⁢𝑦 ), mean transverse momentum (⟨𝑝 𝑇 ⟩), particle ratios, which provide insight into the particle production mechanisms. Additionally, the kinetic freeze-out parameters (𝑇 kin and ⟨𝛽 𝑇 ⟩), which provide information about the dynamics of the system at the time of freeze-out, are obtained. The Bjorken energy density (𝜖 𝐵⁢𝐽 ), which gives an estimate of the energy density in the central rapidity region of the collision zone at the formation time 𝜏, is calculated and presented as a function of multiplicity for various energies. The results are compared with those from the models such as A Multi-Phase Transport (AMPT) and Heavy Ion Jet INteraction Generator (HIJING) for further insights.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Measurement of the non-prompt D-meson fraction as a function of multiplicity in proton-proton collisions at $\sqrt{s}$ = 13 TeV

The fractions of non-prompt (i.e. originating from beauty-hadron decays) D 0 and D + mesons with respect to the inclusive yield are measured as a function of the charged-particle multiplicity in proton-proton collisions at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV with the ALICE detector at the LHC. The results are reported in intervals of transverse momentum (pT) and integrated in the range 1 < p T < 24 GeV/c. The fraction of non-prompt D 0 and D + mesons is found to increase slightly as a function of p T in all the measured multiplicity intervals, while no significant dependence on the charged-particle multiplicity is observed. In order to investigate the production and hadronisation mechanisms of charm and beauty quarks, the results are compared to PYTHIA 8 as well as EPOS 3 and EPOS 4 Monte Carlo simulations, and to calculations based on the colour glass condensate including three-pomeron fusion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Working towards recalcitrance mechanisms: increased xylan and homogalacturonan production by overexpression of GAlactUronosylTransferase12 (GAUT12) causes increased recalcitrance and decreased growth in Populus

The development of fast-growing hardwood trees as a source of lignocellulosic biomass for biofuel and biomaterial production requires a thorough understanding of the plant cell wall structure and function that underlie the inherent recalcitrance properties of woody biomass. Downregulation of GAUT12.1 in Populus deltoides was recently reported to result in improved biomass saccharification, plant growth, and biomass yield. To further understand GAUT12.1 function in biomass recalcitrance and plant growth, here we report the effects of P. trichocarpa GAUT12.1 overexpression in P. deltoides. Increasing GAUT12.1 transcript expression by 7-49% in P. deltoides PtGAUT12.1-overexpression (OE) lines resulted in a nearly complete opposite biomass saccharification and plant growth phenotype to that observed previously in PdGAUT12.1-knockdown (KD) lines. This also included significantly reduced glucose, xylose, and total sugar release (12-13%), plant height (6-54%), stem diameter (8-40%), and overall total aerial biomass yield (48-61%) in 3-month-old, greenhouse-grown PtGAUT12.1-OE lines compared to controls. Total lignin content was unaffected by the gene overexpression. Importantly, selected PtGAUT12.1-OE lines retained the recalcitrance and growth phenotypes upon growth for 9 months in the greenhouse and 2.8 years in the field. PtGAUT12.1-OE plants had significantly smaller leaves with lower relative water content, and significantly reduced stem wood xylem cell numbers and size. At the cell wall level, xylose and galacturonic acid contents increased markedly in total cell walls as well as in soluble and insoluble cell wall extracts, consistent with increased amounts of xylan and homogalacturonan in the PtGAUT12.1-OE lines. This led to increased cell wall recalcitrance, as manifested by the 9-15% reduced amounts of recovered extractable wall materials and 8-15% greater amounts of final insoluble pellet in the PtGAUT12.1-OE lines compared to controls. The combined phenotype and chemotype data from P. deltoides PtGAUT12.1-OE and PdGAUT12.1-KD transgenics clearly establish GAUT12.1 as a recalcitrance- and growth-associated gene in poplar. Overall, the data support the hypothesis that GAUT12.1 synthesizes either an HG-containing primer for xylan synthesis or an HG glycan required for proper xylan deposition, anchoring, and/or architecture in the wall, and the possibility of HG and xylan glycans being connected to each other by a base-sensitive covalent linkage.

09 BIOMASS FUELS↗

DOE OSTI2025

Direct-photon production in inelastic and high-multiplicity proton–proton collisions at $\sqrt{s}$ = 13 TeV

In this letter, we present the ﬁrst measurement of direct photons at the transverse momentum of 1 < 𝑝 T < 6 GeV/𝑐 at midrapidity 𝜂 < 0.8 in inelastic and high-multiplicity proton–proton collisions at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV. The fraction of virtual direct photons in the inclusive virtual photon spectrum is obtained from a ﬁt to the dielectron invariant mass spectrum. In the limit of zero invariant mass, this fraction is equal to the relative contribution of real direct photons in the inclusive real photon spectrum. Contributions from decays of light- ﬂavour neutral mesons are estimated using independent measurements in proton–proton collisions at the same energy and the same event class. For the ﬁrst time at the LHC energies, a direct-photon signal is observed at low 𝑝T in both inelastic and high-multiplicity event classes, with a signiﬁcance of 3.2𝜎 and 1.9𝜎 in terms of standard deviations, correspondingly. The yield of direct photons in inelastic pp collisions is compared to perturbative QCD calculations. The integrated photon yield is studied as a function of charged-particle multiplicity and is compared to the results from other experiments and theoretical calculations. The results show a signiﬁcant increase of direct- photon yield with charged-particle multiplicity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Automated workflow for non-empirical Wannier-localized optimal tuning of range-separated hybrid functionals

Here, we introduce an automated workflow for generating non-empirical Wannier-localized optimally-tuned screened range-separated hybrid (WOT-SRSH) functionals. WOT-SRSH functionals have been shown to yield highly accurate fundamental band gaps, band structures, and optical spectra for bulk and 2D semiconductors and insulators. Our workflow automatically and efficiently determines the WOT-SRSH functional parameters for a given crystal structure and composition, approximately enforcing the correct screened long-range Coulomb interaction and an ionization potential ansatz. In contrast to previous manual tuning approaches, our tuning procedure relies on a new search algorithm that only requires a few hybrid functional calculations with minimal user input. We demonstrate our workflow on 23 previously studied semiconductors and insulators, reporting the same high level of accuracy. By automating the tuning process and improving its computational efficiency, the approach outlined here enables applications of the WOT-SRSH functional to compute spectroscopic and optoelectronic properties for a wide range of materials.

Gant, Stephen E. [University of California, Berkel↗

DOE OSTI2022

Bootstrap estimation of the effect of instrument response function uncertainty on the reconstruction of fusion neutron sources

Neutron imagers are important diagnostics for the inertial confinement fusion implosions at the National Ignition Facility. They provide two- and three-dimensional reconstructions of the neutron source shape that are key indicators of the overall performance. To interpret the shape results properly, it is critical to estimate the uncertainty in those reconstructions. There are two main sources of uncertainties: limited neutron statistics, leading to random errors in the reconstructed images, and incomplete knowledge of the instrument response function (the pinhole-dependent point spread function). While the statistical errors dominate the uncertainty for lower yield deuterium-tritium (DT) shots, errors due to the instrument response function dominate the uncertainty for DT yields on the order of 10 16 neutrons or higher. In this work, a bootstrapping method estimates the uncertainty in a reconstructed image due to the incomplete knowledge of the instrument response function. The main reconstruction is created from the fixed collection of pinhole images that are best aligned with the neutron source. Additional reconstructions are then built using subsets of that collection of images. Variations in the shapes of these additional reconstructions originate solely from uncertainties in the instrument response function, allowing us to use them to provide an additional systematic uncertainty estimate.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Inclusive and multiplicity dependent production of electrons from heavy-flavour hadron decays in pp and p-Pb collisions

Measurements of the production of electrons from heavy-flavour hadron decays in pp collisions at $\sqrt{s}$ = 13 TeV at midrapidity with the ALICE detector are presented down to a transverse momentum (p T ) of 0.2 GeV/c and up to p T = 35 GeV/c, which is the largest momentum range probed for inclusive electron measurements in ALICE. In p-Pb collisions, the production cross section and the nuclear modification factor of electrons from heavy-flavour hadron decays are measured in the p T range 0.5 < p T < 26 GeV/c at $\sqrt{s_{NN}}$= 8.16 TeV. The nuclear modification factor is found to be consistent with unity within the statistical and systematic uncertainties. In both collision systems, first measurements of the yields of electrons from heavy-flavour hadron decays in different multiplicity intervals normalised to the multiplicity-integrated yield (self-normalised yield) at midrapidity are reported as a function of the self-normalised charged-particle multiplicity estimated at midrapidity. The self-normalised yields in pp and p-Pb collisions grow faster than linear with the self-normalised multiplicity. A strong p T dependence is observed in pp collisions, where the yield of high-p T electrons increases faster as a function of multiplicity than the one of low-p T electrons. The measurement in p-Pb collisions shows no p T dependence within uncertainties. The self-normalised yields in pp and p-Pb collisions are compared with measurements of other heavy-flavour, light-flavour, and strange particles, and with Monte Carlo simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Using a 2-shock 1D platform at NIF to measure the effect of convergence on mix and symmetry

In this paper, we describe the use of a robust new 1-D like implosion platform at the National Ignition Facility [G. H. Miller et al., Opt. Eng. 43, 2841 (2004)] to study the effect of convergence on mix and shape. Previous experiments suggest that nuclear yields and ion temperature degrade with increased convergence [M. D. Cable et al., Phys. Rev. Lett. 73, 2316 (1994)] due to enhanced perturbation growth and mix, but little has been reported on the distortion of the shape with time. The 2-shock platform was developed [S. F. Khan et al., Phys. Plasmas 23, 042708 (2016)] to maintain a high degree of sphericity during the whole implosion phase and has a thick, uniformly doped (1% Si) plastic CH shell to minimize the effect of mixing due to hydrodynamic feed-through from the outer ablator surface. An inner layer of deuterated plastic (CD) and hydrogen-tritium (DT) gas fill allows for the measurement of DT neutrons produced by the mix between the gas and ablator. DD neutrons provide information about the hot, unmixed CD region. By changing the fill gas density while keeping the capsule diameter, ablator thickness, and Au hohlraum conditions fixed, the x-ray hot spot convergence ratio was varied from 14 to 22. We find that the atomic mix (DT yield) grows linearly as a function of convergence, but since T ion changes as well, it does not necessarily mean that the amount or extent of mix grows linearly as well. Lastly, we also find the DD yield, which is a measurement of the shell heating, saturates above a certain convergence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Design, synthesis, and characterization of vinyl-addition polynorbornenes with tunable thermal properties

Unfunctionalized vinyl-addition polynorbornene (VAPNB) possesses many outstanding properties such as high thermal, chemical, and oxidative stability. These features make VAPNB a promising candidate for many engineering applications. However, VAPNB has a small service window between its glass transition temperature (T g ) and decomposition temperature (T d ), and it cannot be readily processed in a melt state. In this work, we demonstrate that the service window of VAPNBs can be tailored through the use of norbornene monomers bearing alkyl, aryl, and aryl ether substituents. The vinyl addition homopolymerization and copolymerization of these functionalized norbornyl-based monomers yielded VAPNBs with high T' g s (>150 °C) and large service windows (T d –T g > 100 °C), which are comparable to other commercial engineering thermoplastics. To further establish the feasibility of melt processing, a functionalized VAPNB material with T g = 209 °C and a service window of 170 °C was successfully extruded and molded into bars. Subsequent characterization of the bars by dynamic mechanical analysis (DMA), nuclear magnetic resonance spectroscopy (NMR), and gel permeation chromatography (GPC) revealed only minor signs of polymer degradation. Furthermore, these studies suggest that substituted VAPNBs could be developed into a new class of engineering thermoplastics that is compatible with workhorse melt processing techniques such as extrusion and injection molding, as well as emerging techniques such as extrusion-based 3D printing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗