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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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10 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Multimaterial 3D Printing in Activating Bath Enables In Situ Polymerization of Thermosets with Intricate Geometries and Diverse Elastic Behaviors

Polydicyclopentadiene, p(DCPD), is a high‐performance thermoset valued for its exceptional toughness, strength, and stiffness. When copolymerized with 1,5‐cyclooctadiene (COD), its mechanical properties can be tuned from glassy to rubbery at room temperature. While frontal polymerization enables a rapid and energy‐efficient route to 3D print DCPD‐based materials, challenges such as ink shelf life and gravitational distortion, especially in direct ink writing of soft COD‐rich formulations, must be considered. Here, a complementary chemical strategy is presented, embedded 3D printing, that enables localized in situ polymerization of printed DCPD/COD inks within a reactive support matrix. The matrix provides both physical support and a reservoir of chemical activator, which diffuses into the ink, activates a latent bis(N‐heterocyclic carbene) Ru precatalyst, and initiates ring‐opening metathesis polymerization. Curing begins at the ink–matrix interface and propagates inward via diffusion, stabilizing the interface and preventing capillary‐driven deformation regardless of the matrix yield stress. This approach eliminates the need for cold storage, external curing, or photoinitiation, significantly expanding the processing window. Using this method, diverse thermosetting and elastomeric architectures are fabricated with features as small as 5 µm and aspect ratios of 100, including interlinked chains, shallow spherical shells exhibiting snap‐through buckling, and hair‐like fin arrays inaccessible through traditional techniques.

chemical activation↗
DOE OSTI2025

Snap-Through Buckling Pressure Prediction of Spherical Caps: A Comparison of Analytical, Implicit, and Explicit Methods

Snap-through buckling is a nonlinear and dynamic instability that occurs in curved shell structures such as domes, pressure vessels, and aerospace panels. Unlike classical linear buckling, it involves a sudden transition between equilibrium states caused by geometric nonlinearity and rapid strain-to-kinetic energy conversion (Timoshenko & Gere, 1961; Budiansky & Roth, 1962). This study investigates the snap-through behavior of thin spherical caps using both implicit and explicit solvers in ANSYS Workbench. While implicit analysis accurately captures quasi-static response, it struggles with convergence near instability. In contrast, explicit LS-DYNA simulation naturally handles the nonlinear dynamic event with minimal tuning and computational cost.

42 ENGINEERING↗
DOE OSTI2022

Dynamics of Polymer Nanocapsule Buckling and Collapse Revealed by In Situ Liquid-Phase TEM

Nanocapsules are hollow nanoscale shells that have applications in drug delivery, batteries, self-healing materials, and as model systems for naturally occurring shell geometries. In many applications, nanocapsules are designed to release their cargo as they buckle and collapse, but the details of this transient buckling process have not been directly observed. In this work, we use in situ liquid-phase transmission electron microscopy to record the electron-irradiation-induced buckling in spherical 60-187 nm polymer capsules with ~3.5 nm walls. We observe in real time the release of aqueous cargo from these nanocapsules and their buckling into morphologies with single or multiple indentations. The in situ buckling of nanoscale capsules is compared to ex situ measurements of collapsed and micrometer-sized capsules and to Monte Carlo (MC) simulations. The shape and dynamics of the collapsing nanocapsules are consistent with MC simulations, which reveal that the excessive wrinkling of nanocapsules with ultrathin walls results from their large Föppl-von Kármán numbers around 10 5 . Our experiments suggest design rules for nanocapsules with the desired buckling response based on parameters such as capsule radius, wall thickness, and collapse rate.

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

Chemically controlled pattern formation in self-oscillating elastic shells

Significance Mechanochemical processes drive various biological functions including morphogenesis and morphological changes in responsive synthetic hydrogels. By allowing reactive components to function in an elastic closed shell, autonomous chemical reactions generate microcompartments capable of expanding or contracting or induce buckled patterns. This capability can drive specific functions such as enhancing the rate of diffusion of compartmentalized chemicals or releasing cargos at specific rates. Here, we demonstrate the coupling of mechanical response to autonomous chemical reactions in elastic shells which swell and deswell to generate specific dynamic patterns and morphologies. The reverse feedback from the mechanical input triggers the chemical reaction. Our work inspires the design of responsive shells to enhance the functionality of microcompartments and nanoreactors.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Strongly correlated and topological states in [111] grown transition metal oxide thin films and heterostructures

We highlight recent advances in the theory, materials fabrication, and experimental characterization of strongly correlated and topological states in [111] oriented transition metal oxide thin films and heterostructures, which are notoriously difficult to realize compared to their [001] oriented counterparts. We focus on two classes of complex oxides, with the chemical formulas ABO 3 and A 2 B 2 O 7 , where the B sites are occupied by an open-shell transition metal ion with a local moment and the A sites are typically a rare earth element. The [111] oriented quasi-two-dimensional lattices derived from these parent compound lattices can exhibit peculiar geometries and symmetries, namely, a buckled honeycomb lattice, as well as kagome and triangular lattices. These lattice motifs form the basis for emergent strongly correlated and topological states expressed in exotic magnetism, various forms of orbital ordering, topological insulators, topological semimetals, quantum anomalous Hall insulators, and quantum spin liquids. For transition metal ions with high atomic number, spin–orbit coupling plays a significant role and may give rise to additional topological features in the electronic band structure and in the spectrum of magnetic excitations. We conclude this perspective by articulating open challenges and opportunities in this actively developing field.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Structural, Criticality, and Radiation Dose Calculations to Support SNF Loading into a DOE Standard Canister

The DOE Standard Canister Demonstration Project includes the development of an internal support structure (ISS) for the 4.6-m-long and 45.7-cm-diameter canister. This study presents structural evaluations, criticality safety assessments, and dose rate calculations conducted within the scope of the ISS design process to support smooth canister loading operations and to ensure safe storage, transportation, and disposal of Peach Bottom 1 Core II (PB2) and Fort St. Vrain (FSV) SNF, currently stored at INL’s CPP-603 facility. The ISS includes a 316L stainless-steel basket that holds 12 PB2 SNF rods. The PB2 basket rests on top of six individual, 78.7-cm-long, 316L stainless-steel columns that are equally spaced and welded to the inner canister wall at the lower end of the shell. These columns represent the FSV basket and can hold one FSV SNF element. An A92014 T6 aluminum spacer disc is bolted to the bottom plate of the PB2 basket to vertically restrain the FSV SNF element after the PB2 basket is placed inside the canister above the FSV basket. The structural evaluations of the ISS followed applicable ASME BPVC.III.3 guidelines and included finite element (FE) analyses of the PB2 basket structure; analyses of welds and bolds; buckling analyses of selected components, and acceptability assessments of the expected basket deformations under loading operations. The criticality safety assessments used the Monte Carlo N-Particle (MCNP) software architecture Version 6.2, including ENDF/B-V continuous-energy cross-section libraries, considering intact SNF in a single storage overpack or two multistorage overpack configurations and intact or failed SNF configured for disposal. The dose rate computations are based on source terms taken from the DOE Spent Fuel Database. The isotopic composition was decay corrected for the year 2022 using the ORIGEN module in the SCALE suite. A 19-group photon spectrum and a 27-group neutron-source spectrum were generated and used in MCNP to calculate estimated dose-equivalent rates, both on DOE Standard Canister contact and at a radial distance of 1 m from the canister surface. The results of this study indicate a structurally sound system that can uphold its criticality safety functions throughout its intended operational phases. Furthermore, this study provides confidence that sufficient radiological protection is technically achievable.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Structural, Criticality, and Radiation Dose Calculations to support SNF Loading into a DOE Standard Canister

The DOE Standard Canister Demonstration Project includes the development of an internal support structure (ISS) for the 4.6-m long and 45.7-cm diameter canister. This study presents structural evaluations, criticality safety assessments, and dose rate calculations conducted within the scope of the ISS design process to support smooth canister loading operations and to ensure safe storage, transportation, and disposal of Peach Bottom 1 Core II (PB2) and Fort St. Vrain (FSV) SNF, currently stored at the CPP-603 facility of the INL. The ISS includes a 316L stainless steel basket that holds twelve PB2 SNF rods. Further, six individual, 78.7-cm long, 316L stainless steel columns are equally spaced and welded to the inner canister wall at the lower end of the shell. These columns represent the FSV basket and can hold one FSV SNF element. An A92014 T6 aluminum spacer disc is bolted to the bottom plate of the PB2 basket to vertically restrain the FSV SNF element after the PB2 basket is placed inside the canister on top of the FSV basket. The structural evaluations of the ISS followed applicable ASME BPVC.III.3 guidelines and included finite element (FE) analyses of the PB2 basket structure; analyses of welds and bolds; buckling analyses of selected components, and acceptability assessments of the expected basket deformations under loading operations. The criticality safety assessments used the Monte Carlo N-Particle (MCNP) software architecture version 6.2 including ENDF/B-V continuous energy cross-section libraries, considering intact SNF in a single storage overpack or two multi-storage overpack configurations, and intact or failed SNF configured for disposal. The dose rate computations are based on source terms taken from the DOE Spent Fuel Database. The isotopic composition was decay corrected for the year 2022 using the ORIGEN module in the SCALE suite. A 19-group photon spectrum and 27-group neutron-source spectra were generated and used in MCNP to calculate estimated dose-equivalent rates, both on DOE Standard Canister contact and at a radial distance of from the canister surface. The results of this study indicate a structurally sound system that can uphold its criticality safety functions throughout its intended operational phases. Further, they increase confidence that sufficient radiological protection is technically achievable.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Helfrich-Hurault elastic instabilities driven by geometrical frustration

Here, the Helfrich-Hurault (HH) elastic instability is a well-known mechanism behind patterns that form as a result of strain upon liquid crystal systems with periodic ground states. In the HH model, layered structures undulate and buckle in response to local, geometric incompatibilities in order to maintain the preferred layer spacing. Classic HH systems include cholesteric liquid crystals under electromagnetic field distortions and smectic liquid crystals under mechanical strains, where both materials are confined between rigid substrates. However, richer phenomena are observed when undulation instabilities occur in the presence of deformable interfaces and variable boundary conditions. Understanding how the HH instability is affected by deformable surfaces is imperative for applying the instability to a broader range of materials. In this review, the HH mechanism is reexamined and special focus is given to how the boundary conditions influence the response of lamellar systems to geometrical frustration. Lamellar liquid crystals confined within a spherical shell geometry are used as the model system. Made possible by the relatively recent advances in microfluidics within the past 15 years, liquid crystal shells are composed entirely of fluid interfaces and have boundary conditions that can be dynamically controlled at will. Past and recent work that exemplifies how topological constraints, molecular anchoring conditions, and boundary curvature can trigger the HH mechanism in liquid crystals with periodic ground states is examined. The review ends by identifying similar phenomena across a wide variety of materials, both biological and synthetic. The fact that the HH mechanism is a generic and often overlooked response of periodic materials to geometrical frustration is highlighted.

42 ENGINEERING↗
DOE OSTI2020

Modeling Efforts to Gain Insight into Historical Leak Events from the Single-Shell Tank A-105 in the Hanford 241-A Tank Farm - 20113

The 241-A Tank Farm is a single-shell tank (SST) farm constructed to store process waste from Hanford nuclear operations. Millions of gallons of nuclear waste were stored in the 241-A Tank Farm SSTs and some of the SSTs leaked in the past. In addition, spills and pipeline leaks during transfers and storage and intentional discharges to cribs and trenches resulted in releasing waste to the ground. Tank liner leaks are referred to as 'leaks' and all other discharges to the soil are referred to as 'releases.' Liquid waste that could be removed by pumping has been removed from all of the SSTs to reduce the potential for future leaks. The most significant historical leak event in 241-A Tank Farm occurred in 1965 when tank A-105 experienced a pressurized steam event. This event resulted in damage to the inner steel liner flooring of A-105, which was separated from the sidewalls over part of its circumference and buckled up to 2.5 m, vertically. During this event up to 7,570 L of contaminated liquid may have leaked to the adjacent soil. This leak occurred under extreme temperature and pressure conditions. Modeling efforts to better understand the nature and extent of historical leaks from subsurface SSTs that were used to store highly radioactive, self-boiling liquid wastes at 241-A Tank Farm have recently been undertaken. These efforts have compiled the available historical information to support a preliminary non-isothermal, multiphase flow and chemical transport modeling effort to re-create the conditions under which the leaks occurred and to formulate a conceptual model as to the extent and distribution of leaked radioactive contaminants in the adjacent soil material. The focus of this work was on developing an understanding of the key features, processes and bounding conditions related to tank A-105 leak events that occurred in the 1960's. The activities include estimation of leak composition, non-isothermal multiphase flow and transport modeling, and geochemical modeling. The STOMP{sup C} Water-Air-Energy modeling code was utilized to implement the three-dimensional representation of the subsurface tank and the surrounding flow field. Once constructed, the model was used to evaluate the conceptual understanding of leaks originating from different parts of the tank under the elevated temperature boundary conditions that were imposed by surrounding tanks at the time of the historical leaks. The chemical evolution of the liquid waste was also evaluated as it leaked from the tank under transient pressure and temperature gradients. The results of the preliminary evaluation suggested the presence of a heat-pipe effect beneath tank A-105 in which water vapor at an elevated temperature is driven away from the base of the tank to a position where water vapor cools, condenses and is then drawn back toward the tank by the strong capillary attraction of the dry soil. A non-sorbing contaminant (Tc-99) was introduced into this flow field to better understand the potential distribution patterns of leaked contaminants that may have occurred during the historical leak events. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

NDSE Static Series V & VI Test Results

The purpose for the Neutron-Diagnosed Subcritical Experiment (NDSE) Static Test Series at the Nevada National Security Site (NNSS) Area 11 is to develop and validate the capability to make precise and accurate measurements of k eff for Special Nuclear Material (SNM) targets with k eff ~ 0.95.1 The series has now completed six sets of measurements using the deuterium-tritium (DT) Dense Plasma Focus (DPF) neutron source, with a Rocky-Flats-Shells Highly Enriched Uranium (RF HEU) target, to measure the gamma die-away to this purpose. The last of these series, Series V and VI, are the subject of this report. Both series were performed on a target comprised of the Object IV HEU + CH 2 configuration, which is identical to Object II but with smaller DPF collimators that limit the incident neutron flux to the HEU radius.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗