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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Picosecond measurements of plastic scintillator pulse shapes from gamma-ray interactions

An understanding of the pulse shape of organic scintillators can provide insight into scintillation mechanisms and inform the selection of the optimal detector material for a given application. Although the timing properties of organic scintillators have been extensively studied, significant discrepancies persist in reported rise and decay times. New plastic scintillating media have also been developed in recent years for which no literature data exist. The goal of this work is to provide high-precision measurements of the pulse shape of a suite of fast plastic organic scintillators from Eljen Technology—EJ-200, EJ-204, EJ-208, EJ-230, EJ-232, and EJ-232Q (with 0.5% benzophenone)—under excitation from $γ$-ray sources. The contributors to the system temporal resolution were quantified, and the dominant source of uncertainty was identified as the determination of the start time of a scintillation event. A pulse shape model was applied to the reconstructed temporal distributions, and rise and decay times were extracted and compared with manufacturer specifications. This work outlines a measurement approach to obtain the pulse shape of organic scintillators in response to $γ$-rays with temporal resolution on the order of tens of picoseconds, yielding data required for modeling plastic scintillator based detection systems for a range of applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Identification of Common Types of Plastics by Vibrational Spectroscopic Techniques

Polyethylene Terephthalate (PET), High-Density Polyethylene (HDPE), Polyvinyl Chloride (PVC), Low-Density Polyethylene (LDPE), Polypropylene (PP), and Polystyrene (PS) account for most plastic use worldwide, with production nearing 380 million tons annually. A considerable portion enters municipal solid waste and landfills, creating long-term environmental concerns. Scaling recycling operations requires automated sorting technologies, with spectroscopy and machine learning offering promising solutions. In this study, a six-class convolutional neural network (CNN) was developed for plastic identification using vibrational spectroscopies. Raman Scattering (RS) spectra collected from recycling samples enabled accurate chemical differentiation while assessing the influence of visible features such as color. A CNN trained on RS data achieved 100% classification accuracy. To strengthen field applicability, Attenuated Total Reflectance–Fourier Transform Infrared (ATR-FTIR) spectroscopy was incorporated, achieving 95% accuracy with a similar CNN model. These findings demonstrate the potential of integrating spectroscopy with deep learning for reliable plastic classification, advancing development of scalable, field-ready recycling technologies.

Garcia Tovar, Maria P.↗
DOE OSTI2017

Nanoindentation study of electrodeposited Ag thin coating: An inverse calculation of anisotropic elastic-plastic properties

A new inverse method was proposed to calculate the anisotropic elastic-plastic properties (flow stress) of thin electrodeposited Ag coating utilizing nanoindentation tests, previously reported inverse method for isotropic materials and three-dimensional (3-D) finite element analyses (FEA). Indentation depth was ~4% of coating thickness (~10 μm) to avoid substrate effect and different indentation responses were observed in the longitudinal (L) and the transverse (T) directions. The estimated elastic-plastic properties were obtained in the newly developed inverse method by matching the predicted indentation responses in the L and T directions with experimental measurements considering indentation size effect (ISE). The results were validated with tensile flow curves measured from free-standing (FS) Ag film. The current method can be utilized to characterize the anisotropic elastic-plastic properties of coatings and to provide the constitutive properties for coating performance evaluations.

Cheng, Guang (ORCID:0000000268604420)↗
DOE OSTI2024

Identification of Suitable Vacuum Gas Oils as Plasticizers Using HT-GC × GC-HRMS

Vacuum gas oils (VGOs) have long been heralded as effective plasticizers due to their high boiling-points and lubricating properties. One of these VGOs, HyVac Oil 93050, is a paraffinic plasticizer that is currently utilized in polymer–plasticizer explosive formulations, while this oil effectively increases the elasticity and decreases the sensitivity for current formulations. We seek to identify alternative VGOs with similar density, viscosity, molecular composition, and impurities for future formulations. In this study, 18 VGOs, including HyVac Oil 93050, were initially evaluated for their density and viscosity. The oils were then ranked based on physical characteristics and analyzed for molecular composition using high-temperature comprehensive two-dimensional gas chromatography with high-resolution time-of-flight mass spectrometry (HT-GC × GC-HRMS). Further, the HT-GC × GC-HRMS chromatograms of the top 10 most similar VGOs to HyVac Oil 93050, according to density, were compared utilizing the Pearson correlation coefficient. Three of the oils with densities similar to those of HyVac Oil 93050 had a Pearson correlation within the lot-to-lot variation of HyVac Oil 93050. For the top 3 candidates, Pearson correlation was then utilized as a feature selection technique to discover significant chemical differences. Positive chemical ionization (PCI) and negative chemical ionization (NCI) HT-GC × GC-HRMS chromatograms were also evaluated and aided in the discovery and identification of several key compounds including additives that acted as stabilizers for the VGOs. After this further chemical analysis, two of the original 17 potential VGOs were determined to be physically and chemically similar to HyVac Oil 93050.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Exponential Water Uptake in Ionomer Membranes Results from Polymer Plasticization

Water content is the most influential factor in the performance of ion-exchange membranes (IEMs), controlling their mechanical rigidity, ionic conductivity, and degradation rates. Membranes absorb water exponentially at high water activity (a w ), making that region of the sorption isotherm the most influential on membrane properties. Plasticization of the polymer by water has been proposed to cause this exponential uptake at high a w . However, an integrated microscopic picture of the structure, thermodynamic, and mechanical properties of IEMs as a function of a w has remained elusive. In this work, we use large-scale molecular simulations validated with experimental measurements to compute the sorption isotherms, Young’s modulus, polymer dynamics, and structure of IEMs. The simulations unveil that the exponential increase in water uptake (WU) coincides in all cases with the glass to rubber transition of the membrane, as measured through its Young’s modulus and segmental polymer dynamics. Functionalization of the polymer with alkyl groups further contributes to its plasticization, increasing the WU at a given a w and ion-exchange capacity (IEC). The alkyl chains act synergistically with water to plasticize the polymer matrix and allow water penetration in the membrane. The simulations reveal that the width of the water channels depends on the ratio λ of water to ions in the polymer but is independent of its IEC. We conclude that differences in the polymer matrix–not the water channels–are responsible for the distinct uptake response of IEMs to the thermodynamic driving force of water activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Plasticized Polymer Interlayer for Low-Temperature Fabrication of a High-Quality Silver Nanowire-Based Flexible Transparent and Conductive Film

Silver nanowires (AgNWs) are one of the most promising materials to replace commercially available indium tin oxide in flexible transparent conductive films (TCFs); however, there are still numerous problems originating from poor AgNW junction formation and improper AgNW embedment into transparent substrates. To mitigate these problems, high-temperature processes have been adopted; however, unwanted substrate deformation prevents the use of these processes for the formation of flexible TCFs. In this work, we present a novel poly(methyl methacrylate) interlayer plasticized by dibutyl phthalate for low-temperature fabrication of AgNW-based TCFs, which does not cause any substrate deformation. By exploiting the viscoelastic properties of the plasticized interlayer near the lowered glass-transition temperature, a monolithic junction of AgNWs on the interlayer and embedment of the interconnected AgNWs into the interlayer are achieved in a single-step pressing. The resulting AgNW-TCFs are highly transparent (~92% at a wavelength of 550 nm), highly conductive (<90 Ω/sq), and environmentally and mechanically robust. Therefore, the plasticized interlayer provides a simple and effective route to fabricate high-quality AgNW-based TCFs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Conversion of Compositionally Diverse Plastic Waste over Earth-Abundant Sulfides

Chemical deconstruction of polyolefin plastic wastes via hydroconversion is promising for mitigating plastic accumulation in landfills and the environment. However, hydroconversion catalysts cannot handle complex feedstocks containing multiple polymers, additives, and heteroatom impurities. Here, we report a single-step strategy using earth-abundant metal sulfide catalysts to deconstruct these wastes. We show that NiMoS x /HY catalysts deconstruct polyolefin feedstocks, achieving ~81–94% selectivity to liquid products. Postsynthetic zeolite modification enhances the catalyst’s activity by >2.5 times, achieving over 95% selectivity to liquid fuels with controllable product distribution in the naphtha, jet fuel, and diesel range. The catalyst is resilient to increasingly complex feedstocks, such as additive-containing polymers and mixed plastics composed of polyolefins and heteroatom-containing polymers, including poly(vinyl chloride). As a result, we extend the strategy to single-use polyolefin wastes that can generate toxic byproducts, such as HCl and NH 3 , and eliminate their emissions by integrating reaction and sorption in a one-step process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Plastic and low-cost axial zero thermal expansion alloy by a natural dual-phase composite

Zero thermal expansion (ZTE) alloys possess unique dimensional stability, high thermal and electrical conductivities. Their practical application under heat and stress is however limited by their inherent brittleness because ZTE and plasticity are generally exclusive in a single-phase material. Besides, the performance of ZTE alloys is highly sensitive to change of compositions, so conventional synthesis methods such as alloying or the design of multiphase to improve its thermal and mechanical properties are usually inapplicable. In this study, by adopting a one-step eutectic reaction method, we overcome this challenge. A natural dual-phase composite with ZTE and plasticity was synthesized by melting 4 atom% holmium with pure iron. The dual-phase alloy shows moderate plasticity and strength, axial zero thermal expansion, and stable thermal cycling performance as well as low cost. By using synchrotron X-ray diffraction, in-situ neutron diffraction and microscopy, the critical mechanism of dual-phase synergy on both thermal expansion regulation and mechanical property enhancement is revealed. These results demonstrate that eutectic reaction is likely to be a universal and effective method for the design of high-performance intermetallic-compound-based ZTE alloys.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Uncovering the phonon spectra and lattice dynamics of plastically deformable InSe van der Waals crystals

Stacking two-dimensional (2D) van der Waals (vdW) materials in a layered bulk structure provides an appealing platform for the emergence of exotic physical properties. As a vdW crystal with exceptional plasticity, InSe offers the opportunity to explore various effects arising from the coupling of its peculiar mechanical behaviors and other physical properties. Here, we employ neutron scattering techniques to investigate the correlations of plastic interlayer slip, lattice anharmonicity, and thermal transport in InSe crystals. Not only are the interlayer slip direction and magnitude well captured by shifts in the Bragg reflections, but we also observe a deviation from the expected Debye behaviour in the heat capacity and lattice thermal conductivity. Combining the experimental data with first-principles calculations, we tentatively attribute the observed evidence of strong phonon-phonon interactions to a combination of a large acoustic-optical frequency resonance and a nesting effect. These findings correlate the macroscopic plastic slip and the microscopic lattice dynamics, providing insights into the mechano-thermo coupling and modulation in 2D vdW materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Closed-loop recycling of plastics enabled by dynamic covalent diketoenamine bonds

Recycled plastics are low-value commodities due to residual impurities and the degradation of polymer properties with each cycle of re-use. Plastics that undergo reversible polymerization allow high-value monomers to be recovered and re-manufactured into pristine materials, which should incentivize recycling in closed-loop life cycles. However, monomer recovery is often costly, incompatible with complex mixtures and energy-intensive. Here, we show that next-generation plastics-polymerized using dynamic covalent diketoenamine bonds-allow the recovery of monomers from common additives, even in mixed waste streams. Poly(diketoenamine)s 'click' together from a wide variety of triketones and aromatic or aliphatic amines, yielding only water as a by-product. Recovered monomers can be re-manufactured into the same polymer formulation, without loss of performance, as well as other polymer formulations with differentiated properties. The ease with which poly(diketoenamine)s can be manufactured, used, recycled and re-used-without losing value-points to new directions in designing sustainable polymers with minimal environmental impact.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Enhanced superconductivity and ferroelectric quantum criticality in plastically deformed strontium titanate

The properties of quantum materials are commonly tuned using experimental variables such as pressure, magnetic field and doping. Here we explore a different approach using irreversible, plastic deformation of single crystals. We show that compressive plastic deformation induces low-dimensional superconductivity well above the superconducting transition temperature (Tc) of undeformed SrTiO3, with evidence of possible superconducting correlations at temperatures two orders of magnitude above the bulk Tc. The enhanced superconductivity is correlated with the appearance of self-organized dislocation structures, as revealed by diffuse neutron and X-ray scattering. We also observe deformation-induced signatures of quantum-critical ferroelectric fluctuations and inhomogeneous ferroelectric order using Raman scattering. Our results suggest that strain surrounding the self-organized dislocation structures induces local ferroelectricity and quantum-critical dynamics that strongly influence Tc, consistent with a theory of superconductivity enhanced by soft polar fluctuations. Our results demonstrate the potential of plastic deformation and dislocation engineering for the manipulation of electronic properties of quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Reduced partitioning of plastic strain for strong and yet ductile precipitate-strengthened alloys

When a material that contains precipitates is deformed, the precipitates and the matrix may strain plastically by different amounts causing stresses to build up at the precipitate-matrix interfaces. If premature failure is to be avoided, it is therefore essential to reduce the difference in the plastic strain between the two phases. Here, we conduct nanoscale digital image correlation to measure a new variable that quantifies this plastic strain difference and show how its value can be used to estimate the associated interfacial stresses, which are found to be approximately three times greater in an Fe-Ni 2 AlTi steel than in the more ductile Ni-based superalloy CMSX-4 ® . It is then demonstrated that decreasing these stresses significantly improves the ability of the Fe-Ni 2 AlTi microstructure to deform under tensile loads without loss in strength.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Plastic flow anisotropy drives shear fracture

Abstract Fracture of initially crack-free bodies often occurs due to plastic instabilities known as shear bands. Previous computer simulations advanced a myriad of mechanisms to rationalize shear banding. However, they were restricted to planar geometries. We investigate the relevance of anisotropic plasticity by picking an axisymmetric tensile test rig, in which shear localization is rarely observed. The three-dimensional finite-element simulations of shear banding in this type of specimens are the first of their kind. The micromechanical modeling covers a range of competing mechanisms believed to be responsible for such failure. We show that anisotropic plasticity can effectively trigger shear bands thereby causing failure of ductile solids. Our results enable shear fracture to be rationalized in ductile rocks and mitigated against in designing advanced materials.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

High-performance polyvinyl chloride gel artificial muscle actuator with graphene oxide and plasticizer

A transparent and electroactive plasticized polyvinyl chloride (PVC) gel was investigated to use as a soft actuator for artificial muscle applications. PVC gels were prepared with varying plasticizer (dibutyl adipate, DBA) content. The prepared PVC gels were characterized using Fourier-transform infrared spectroscopy, thermogravimetric analysis, and dynamic mechanical analysis. The DBA content in the PVC gel was shown to have an inverse relationship with both the storage and loss modulus. The electromechanical performance of PVC gels was demonstrated for both single-layer and stacked multi-layer actuators. When voltage was applied to a single-layer actuator and then increased, the maximum displacement of PVC gels (for PVC/DBA ratios of 1:4, 1:6, and 1:8) was increased from 105.19, 123.67, and 135.55µm (at 0.5kV) to 140.93, 157.13, and 172.94µm (at 1.0kV) to 145.03, 191.34, and 212.84µm (at 1.5kV), respectively. The effects of graphene oxide (GO) addition in the PVC gel were also investigated. The inclusion of GO (0.1 wt.%) provided an approximate 20% enhancement of displacement and 41% increase in force production, and a 36% increase in power output for the PVC/ GO gel over traditional plasticizer only PVC gel. The proposed PVC/GO gel actuator may have promising applications in artificial muscle, small mechanical devices, optics, and various opto-electro-mechanical devices due to its low-profile, transparency, and electrical response characteristics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Data-driven analysis of neutron diffraction line profiles: application to plastically deformed Ta

Abstract Non-destructive evaluation of plastically deformed metals, particularly diffraction line profile analysis (DLPA), is valuable both to estimate dislocation densities and arrangements and to validate microstructure-aware constitutive models. To date, the interpretation of whole line diffraction profiles relies on the use of semi-analytical models such as the extended convolutional multiple whole profile (eCMWP) method. This study introduces and validates two data-driven DLPA models to extract dislocation densities from experimentally gathered whole line diffraction profiles. Using two distinct virtual diffraction models accounting for both strain and instrument induced broadening, a database of virtual diffraction whole line profiles of Ta single crystals is generated using discrete dislocation dynamics. The databases are mined to create Gaussian process regression-based surrogate models, allowing dislocation densities to be extracted from experimental profiles. The method is validated against 11 experimentally gathered whole line diffraction profiles from plastically deformed Ta polycrystals. The newly proposed model predicts dislocation densities consistent with estimates from eCMWP. Advantageously, this data driven LPA model can distinguish broadening originating from the instrument and from the dislocation content even at low dislocation densities. Finally, the data-driven model is used to explore the effect of heterogeneous dislocation densities in microstructures containing grains, which may lead to more accurate data-driven predictions of dislocation density in plastically deformed polycrystals.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Atomic-scale homogeneous plastic flow beyond near-theoretical yield stress in a metallic glass

Abstract The onset of yielding and the related atomic-scale plastic flow behavior of bulk metallic glasses at room temperature have not been fully understood due to the difficulty in performing the atomic-scale plastic deformation experiments needed to gain direct insight into the underlying fundamental deformation mechanisms. Here we overcome these limitations by combining a unique sample preparation method with atomic force microscopy-based indentation, which allows study of the yield stress, onset of yielding, and atomic-scale plastic flow of a platinum-based bulk metallic glass in volumes containing as little as approximately 1000 atoms. Yield stresses markedly higher than in conventional nanoindentation testing were observed, surpassing predictions from current models that relate yield stress to tested volumes; subsequent flow was then established to be homogeneous without exhibiting collective shear localization or loading rate dependence. Overall, variations in glass properties due to fluctuations of free volume are found to be much smaller than previously suggested.

Yu, Jiaxin↗
DOE OSTI2021

Polyolefin plastic waste hydroconversion to fuels, lubricants, and waxes: a comparative study

Hydroconversion technologies have surged to the forefront of deconstructing plastic waste. Recent studies have been performed over several catalysts with varying conditions and plastics that make comparisons difficult. We compile and compare data from the literature by introducing various metrics and perform a simple energy analysis. We draw mechanistic similarities to and differences from the past literature on small alkane hydroconversion and leverage the former to propose standard approaches to tune product selectivity. We exemplify the plastics materials gap and the challenges it creates. Lastly, we discuss the current limitations and suggest future work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Catalytic production of tetrahydropyran (THP): a biomass-derived, economically competitive solvent with demonstrated use in plastic dissolution

Tetrahydropyran (THP) is a five-carbon heterocyclic ether that is non-carcinogenic, non-peroxide forming, biodegradable, and economically competitive with tetrahydrofuran (THF) as a solvent. In this work, THP has been synthesized from renewable biomass at >99.8% selectivity and 98% yield via hydrogenation of furfural-derived 3,4-dihydropyran (DHP) over Ni/SiO 2 in a continuous flow reactor at 150–200 °C. The apparent activation energy of THP formation is 31 kJ mol -1 , and the reaction orders with respect to the partial pressures of H 2 , DHP, and THP are: 2, 1, and -0.3. The kinetic data has been fitted to a Hougen–Watson model where the rate limiting step is the hydrogenation of adsorbed DHP. Ni/SiO 2 is shown to have a low deactivation rate constant of 0.012 h -1 over 100 h time on stream and can be regenerated in situ. As a performance advantage, THP is shown to be resistant to ring opening polymerization under strongly acidic conditions that THF is not, revealing it to be a superior solvent. Further, the minimum selling price of THP is competitive with the market price of THF ($$900 – 1400 per ton ) at a DHP feedstock cost of $1000 per ton. Conductor-like Screening Model for Real Solvents (COSMO-RS) and molecular dynamics (MD) simulations with 1008 solvents and 8 common plastics have demonstrated that THP can serve as an alternative solvent to THF, 2-methyltetrahydrofuran (MeTHF), and cyclopentyl methyl ether (CPME) for plastic dissolution, especially low-density polyethylene (LDPE), polypropylene (PP), polystyrene (PS) and polyvinyl chloride (PVC). This work establishes THP as a green solvent with excellent thermal, chemical and peroxidative stability that can be used for numerous applications, including waste plastic recycling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗