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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Complementary workflows for identifying one-hop network behavior and multi-hop network dependencies

A network analysis tool evaluates network flow information in complementary workflows to identify one-hop behavior of network assets and also identify multi-hop dependencies between network assets. In one workflow (e.g., using association rule learning), the network analysis tool can identify significant one-hop communication patterns to and/or from network assets, taken individually. Based on the identified one-hop behavior, the network analysis tool can discover patterns of similar communication among different network assets, which can inform decisions about deploying patch sets, mitigating damage, configuring a system, or detecting anomalous behavior. In a different workflow (e.g., using deep learning or cross-correlation analysis), the network analysis tool can identify significant multi-hop communication patterns that involve network assets in combination. Based on the identified multi-hop dependencies, the network analysis tool can discover functional relationships between network assets, which can inform decisions about configuring a system, managing critical network assets, or protecting critical network assets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Systematic Evaluation of Backdoor Data Poisoning Attacks on Image Classifiers

Backdoor data poisoning attacks have recently been demonstrated in computer vision research as a potential safety risk for machine learning (ML) systems. Traditional data poisoning attacks manipulate training data to induce unreliability of an ML model, whereas backdoor data poisoning attacks maintain system performance unless the MLmodel is presented with an input containing an embedded“trigger” that provides a predetermined response advantageous to the adversary. Our work builds upon prior back-door data-poisoning research for ML image classifiers and systematically assesses different experimental conditions including types of trigger patterns, persistence of trigger patterns during retraining, poisoning strategies, architectures (ResNet-50, NasNet, NasNet-Mobile), datasets (Flowers, CIFAR-10), and potential defensive regularization techniques (Contrastive Loss, Logit Squeezing, Manifold Mixup,Soft-Nearest-Neighbors Loss). Experiments yield four key findings. First, the success rate of backdoor poisoning at-tacks varies widely, depending on several factors, including model architecture, trigger pattern and regularization technique. Second, we find that poisoned models are hard to detect through performance inspection alone. Third, regularization typically reduces backdoor success rate, although it can have no effect or even slightly increase it, depending on the form of regularization. Finally, backdoors inserted through data poisoning can be rendered ineffective after just a few epochs of additional training on a small set of clean data without affecting the model’s performance.

Truong, Loc T.↗
DOE OSTI2020

A Visual Analytics Framework for Reviewing Streaming Performance Data

Understanding and tuning the performance of extreme-scale parallel computing systems demands a streaming approach due to the computational cost of applying offline algorithms to vast amounts of performance log data. Analyzing large streaming data is challenging because the rate of receiving data and limited time to comprehend data make it difficult for the analysts to sufficiently examine the data without missing important changes or patterns. To support streaming data analysis, we introduce a visual analytic framework comprising of three modules: data management, analysis, and interactive visualization. The data management module collects various computing and communication performance metrics from the monitored system using streaming data processing techniques and feeds the data to the other two modules. The analysis module automatically identifies important changes and patterns at the required latency. In particular, we introduce a set of online and progressive analysis methods for not only controlling the computational costs but also helping analysts better follow the critical aspects of the analysis results. Finally, the interactive visualization module provides the analysts with a coherent view of the changes and patterns in the continuously captured performance data. Through a multi-faceted case study on performance analysis of parallel discrete-event simulation, we demonstrate the effectiveness of our framework for identifying bottlenecks and locating outliers.

Human-centered computing↗
DOE OSTI2021

Mapping 2-dimensional meshes on 3-dimensional torus

In a L×M×N 3D torus network of computer nodes, a 2-dimensional plane comprising M×N torus network of nodes mapped into M/2 meshes×2*N torus network of nodes. N can be k*M, k is an integer greater than zero, and M and N are even numbers. Each of M/2 mesh of the 2*N torus is contiguous in the 2D plane. Mapping is performed for each of the L planes of the L×M×N 3D torus network. The M/2 meshes are combined with a remaining torus network dimension comprising L planes, the combining creating another 2*N pattern, wherein an L*M/2×2*N communication pattern is created. Application entities are executed according to the mapped L*M/2×2*N communication pattern.

Chen, Dong↗
DOE OSTI2021

A Taxonomic Classification Approach for Global Spatio-temporal Data

The World Bank, World Health Organization, and other major vendors collectively provide thousands of global time series datasets that focus on issues of the environment, public health, economics, violence, education, and national security. Sorting these data into meaningful information requires the use of data mining techniques to cluster trends into an orderly and manageable number of cases. The World SpatioTemporal Analytics and Mapping (WSTAMP) project database (wstamp.ornl.gov) was developed to spatiotemporally harmonize global vendor data (23,300+ attributes, 200+ locations, 50+ years). Within the WSTAMP analytical environment, Dynamic Time Warping (DTW) has been a highly effective data-driven approach for clustering and mapping these time series into national spatiotemporal behavior maps. Two significant properties have surfaced from this work. First, several recognizable cluster patterns have emerged and persist across a range of locations, attributes, and time frames (e.g., increasing, decreasing, rebounding, peak, oscillating). Secondly, practitioners engaging WSTAMP have noted the explanatory and anticipatory value of these patterns and articulated particular interest in detecting them within the spatiotemporal cube. This need was addressed by shifting DTW-based clustering from an open ended, data-driven implementation to a taxonomic pattern matching approach. This paper presents the method including implementation strategies for visualization and human computer interaction and applies the approach to a sample data set and concludes with next steps.

Stewart, Robert↗
DOE OSTI2021

Inductive circuit sensor system and method

An inductive circuit sensor system and method for monitoring an electromagnetic signal path through a circuit is shown. A protected element or door is movably positionable adjacent to the stationary element or frame in a monitored position. A conductive sensor pattern element is connected to a pair of inductive coils. The pattern element is a conductive wire traversing a predetermined cross-section of the door. The frame has a transmitting coil in communication with a microcontroller. The transmitting coil is coupled with the first coil and a receiving coil is coupled with the second coil. The transmitting coil receives a signal from the microcontroller and couples the signal to the pattern element. The signal is in communication with a receiving port on the microcontroller. The microcontroller is programmed to compare the signal from the transmit port with the signal at the receiving port.

Neidigk, Stephen↗
DOE OSTI2022

Technical and Economic Evaluation of the First Ever Polymer Flood Field Pilot to Enhance the Recovery of Heavy Oils on Alaska's North Slope via Machine Assisted History Matching

Polymer flooding has become globally established as a potential enhanced oil recovery method for heavy oils. To determine whether this technology may be useful in developing the substantial heavy oil resources on the Alaska North Slope, a polymer flood field pilot commenced at the Milne Point Unit in August 2018. This study seeks to evaluate the results of the field pilot on a technical and economic basis. A reservoir simulation model is constructed and calibrated to predict the oil recovery performance of the pilot through machine-assisted reservoir simulation techniques. To replicate the early water breakthrough observed during waterflooding, transmissibility contrasts are introduced into the simulation model, forcing viscous fingering effects. In the ensuing polymer flood, these transmissibility contrasts are reduced to replicate the restoration of injection conformance during polymer flooding. Transmissibility contrasts are later reinstated to replicate fracture overextension interpreted in one of the producing wells. The calibrated simulation models produced at each stage of the history matching process are used to forecast oil recovery. These forecasts are used as input for economic analysis, incremental to waterflooding expectations. The simulation forecasts indicate that polymer flooding significantly increases the heavy oil production for this field pilot compared to waterflooding alone, yielding attractive project economics. However, meaningful variations between simulation scenarios demonstrate that a simulation model is only valid for prediction if flow behavior in the reservoir remains consistent with that observed during the history matched period. Critically, this means that a simulation model calibrated for waterflooding may not fully capture the technical and economic benefits of an enhanced oil recovery process such as polymer flooding. Subsequently, the simulation model and economic model are used in conjunction to conduct a sensitivity analysis for polymer flood design parameters, from which recommendations are provided for both the continued operation of the current field pilot and future polymer flood designs. The results demonstrate that a higher polymer concentration can be injected due to the development of fractures in the reservoir. The throughput rate should remain high without exceeding operating constraints. A calculated point-forward polymer utilization parameter demonstrates the decreasing efficiency of the polymer flood at later times in the pattern life. Future projects will benefit from starting polymer injection earlier in the pattern life. A pattern with tighter horizontal well spacing will observe a greater incremental benefit from polymer flooding.

Keith, Cody↗
DOE OSTI2021

Comparing LLC-Memory Traffic between CPU and GPU Architectures

The cache hierarchy in modern CPUs and GPUs is becoming increasingly complex, which makes understanding the handshake between the memory access patterns and the cache hierarchy difficult. Moreover, the details of different cache policies are not publicly available. Therefore, the research community relies on observation to understand the relationship between memory access patterns and cache hierarchy. Our previous studies delved into the different microarchitectures of Intel CPUs. In this study, GPUs from NVIDIA and AMD are considered. Even though the execution models in CPUs and GPUs are distinct, this study attempts to correlate the behavior of the cache hierarchy of CPUs and GPUs. Using the knowledge gathered from studying Intel CPUs, the similarities and dissimilarities between CPUs and GPUs are identified. Through model evaluation, this study provides a proof of concept that traffic between last-level cache and memory can be predicted for sequential streaming and strided access patterns on GPUs.

Monil, M. A. H.↗
DOE OSTI2022

Electrochemical and Material Characterization of Laser Micro-Structured Thick Battery Electrodes

By first exploring the limitations of thick planer electrodes, advanced predictive models were prepared to identify optimal electrode patterns for improved cycling performance. Herein, the impact of electrode laser patterning will be discussed in detail. First, materials characterization techniques (SEM-EDS, XRD) were used to explore the effect ultrafast laser ablation had on the electrode materials' morphology and structure. Next, the improvements in the patterned electrodes' electrochemical cycling performances and degrees of wetting will be compared to a pristine baseline case. Finally, the correlation between experimentally obtained data and model predictions will be presented and discussed.

battery↗
DOE OSTI2023

Melamine modification of fuel cell electrodes

A method for forming a melamine-modified electrode that includes providing a metal based electrode and patterning a surface of the metal-based electrode by contacting the electrode with a melamine solution to form a patterned metal-based electrode. The patterned metal-based electrode includes metal sites blocked with melamine molecules and metal sites which are not blocked such that the metal-based electrode selectively adsorbs O2 instead of at least one of sulfate, phosphate, or sulphonate. A range of 20% to 40% of the metal sites are blocked with melamine molecules.

Strmcnik, Dusan↗
DOE OSTI2023

Improvements in Reflected Target Non-intrusive Assessment (ReTNA)

Accurate optical surfaces are a primary driver of concentrated solar power plant performance. Errors in pointing and tracking mirrors, the canting of individual mirror facets, and the surface slope of the mirror itself can be caused by errors during assembly, transportation, wind loading, gravity, and many other sources. The tools that exist to measure these error sources today largely rely on fringe deflectometry (SOFAST, QDec, others), or photogrammetry with targets attached to the mirror surface. In 2022, NREL presented a new indoor optical measurement system to measure fully assembled heliostats during development and on the assembly line for quality assurance purposes, which has undergone significant development in the last year, including the installation of a new, larger laboratory setup. This system, called ReTNA (Reflected Target Non-intrusive Assessment), uses a printed pattern as a deflectometry target. Using printed pattern features as deflectometry targets instead of fringes allows the software to measure the surface slope in two dimensions, eliminating the need to for changing, projected targets. In the last year, NREL's ReTNA tool has been adapted to use a tall, thin target, that only spans one dimension of the mirror, and a camera moving on an automatic track system. We will present these new developments, including the new setup, target patterns, software methodology for fast, automatic optical analysis, and important lessons learned throughout the process. ReTNA results will be compared to established tools, to establish the uncertainty of this new method. ReTNA leverages recent improvements in computer vision and photogrammetry to remove as much careful calibration from the setup process as possible, making the tool low cost, simple, and portable. While it will not achieve the resolution of a fringe deflectometry system, its advantages make it well suited for CSP evaluation, and allow it to fill a different industry need.

concentrating solar power↗
DOE OSTI2023

Dual wavelength negative imaging DLP-SLA system and method

The present disclosure relates to a method for forming a three dimensional (3D) component from a photopolymer resin. The method may involve generating a first optical beam at a first wavelength, with the first optical beam causing polymerization of a photopolymerizable resist. A second optical beam is generated at a second wavelength, different from the first wavelength, which inhibits polymerization of the photopolymerizable resist. A device is used to receive the first and second optical beams and to generate therefrom corresponding separate first and second light patterns, respectively, where the first light pattern forms a first image on the photopolymerizable resist to cause polymerization of a first portion of the photopolymerizable resist, while the second light pattern forms a second image on the photopolymerizable resist and inhibits polymerization of a second portion of the photopolymerizable resist.

Moran, Bryan D.↗
DOE OSTI2024

Comparison of Gas Phase Fragmentation Behaviors of Nuclear Fuel Cycle Ligands in Lanthanide and Americium Metal Ligand Nitrate Clusters

Introduction (120 words): Transport of metal ions across the aqueous-organic phase boundary is an essential step in a hydrometallurgical nuclear fuel reprocessing strategy. The study of transport agents for nuclear fuel elements is imperative to guide the design of ligands that boost the separation efficiency of the recovery process from fission products. However, limited studies have been made on the chemistry of these transport agents when complexing with transuranic elements in gas-phase where all surrounding factors are essentially excluded. This work investigates the reagent ligand complexations to transuranic and other metals and their dissociations in the gas phase. Comparisons are made between 4f and 5f elements and between ligands. Methods (120 words): (N,N-diisobutylcarbamoylmethyl)phenyloctylphosphine oxide (CMPO) and N,N,N',N'-tetraoctyldiglycolamide (TODGA) have been selected to complex with metal nitrates. The actinide americium and lanthanides neodymium, samarium, and europium were investigated as part of this work. The lanthanides were selected to act as size and electron configuration analogues of the minor actinides. Metal complexes with two ligands and two nitrates ([M(NO3)2(CMPO)2]+, for example) are studied in Bruker micrOTOF-Q II mass spectrometer equipped with collision-induced dissociation capability. The comparisons of the mass spectra are made in groups of homogenous ligands and mixed TODGA-CMPO ligands clusters. Comparisons are also made based on the complexed metals (Am and lanthanides). Preliminary data (300 words): Collision-induced dissociation mass spectrometry data are collected on two ligands complexed with metal nitrates where the two ligands are homogenous, with (CMPO)2 or (TODGA)2, or heterogeneous, with (TODGA)(CMPO). Several fragmentation patterns are observed among complexes with the CMPO ligand whereas the TODGA ligand commonly dissociates intact from the complex. Most of the metal complexes exhibit similar fragmentation patterns, but there are a few notable deviations in fragmentation patterns between the Am and Ln-bearing complexes. For the [M(CMPO)2(NO3)2]+ complexes, the initial loss of nitrate in the form of nitric acid is observed in all four complexes. However, [Am(CMPO)2(NO3)2]+ exhibits an additional fragmentation not found in the lanthanide complexes. Also, a significantly different ratio of the second nitric acid loss is found in the Am complex. These deviations may indicate the different interaction behaviors between actinides and lanthanides. The [M(TODGA)2(NO3)2]+ complexes exhibit the fragmentation as the loss of one TODGA ligand as an intact form and the loss of nitrate as nitric acid. The Am complex exhibits an additional fragmentation after losing the TOGDA ligand, which is not observed among the Ln complexes. The heterogeneous [M(TODGA)(CMPO)(NO3)2]+ complexes exhibit both similarities and differences between the Am and Ln complexes. For example, the heterogenous Am complex does not exhibit the loss of an intact TODGA ligand while all three Ln complexes do. This indicates that TODGA may bind more strongly to Am than Ln. Additionally, the intensity of the loss of CMPO ligand (as partially or whole) is found to be significantly larger than that of the loss of TODGA (as partially of whole) indicating that TODGA is bound to the metal significantly stronger than CMPO. Planned computational analysis will help understand the deviation in fragmentation behaviors between americium and lanthanide metal centers, or between TODGA and CMPO ligands. Novel aspect (20 words): Gas-phase actinide and lanthanide complex formation and fragmentation provide insight into the coordination environment differences of f-element metals.

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

Power Electronics Materials and Bonded Interfaces - Reliability and Lifetime

The need for reliable bonded interface materials is critical to realize the performance benefits of wide-bandgap devices in power electronic modules, especially in operating temperatures greater than 150 degrees Celsius. In this paper, we investigate the thermomechanical performance of sintered copper (Cu) as a large-area attachment, bonded between Cu baseplates and active-metal-bonded substrates, under accelerated thermal shock (-40 degrees Celsius to 200 degrees Celsius) conditions. In the fabrication phase of the samples, we used different stencil patterns and found out that the grid and stripe patterns resulted in a better outgassing of the residual organics during the sintering process, thereby ensuring a substantially improved bond quality than a full-area print. The paste consisted of Cu microflakes and we performed sintering using a Budatec SP300 sintering press at 275 degrees Celsius with 15 MPa of bonding pressure for 5 minutes in a nitrogen atmosphere. Under accelerated experiments, we monitored the degradation of the sintered Cu bond in the samples through C-mode scanning acoustic microscope (C-SAM) images. To quantify the defect percentage in C-SAM images, we investigated image denoising techniques to exclude the pattern prints. Finally, we cross-sectioned a sample and obtained digital microscope images, which revealed adhesive fracture as the dominant failure mechanism.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Comparison of Gas Phase Fragmentation Behaviors of Nuclear Fuel Cycle Ligands in Lanthanide and Americium Metal Ligand Nitrate Clusters

Title (20 word): Comparison of Gas Phase Fragmentation Behaviors of Nuclear Fuel Cycle Ligands in Lanthanide and Americium Metal Ligand Nitrate Clusters Introduction (120 words): Transport of metal ions across the aqueous-organic phase boundary is an essential step in a hydrometallurgical nuclear fuel reprocessing strategy. The study of transport agents for nuclear fuel elements is imperative to guide the design of ligands that boost the separation efficiency of the recovery process from fission products. However, limited studies have been made on the chemistry of these transport agents when complexing with transuranic elements in gas-phase where all surrounding factors are essentially excluded. This work investigates the reagent ligand complexations to transuranic and other metals and their dissociations in the gas phase. Comparisons are made between 4f and 5f elements and between ligands. Methods (120 words): (N,N-diisobutylcarbamoylmethyl)phenyloctylphosphine oxide (CMPO) and N,N,N',N'-tetraoctyldiglycolamide (TODGA) have been selected to complex with metal nitrates. The actinide americium and lanthanides neodymium, samarium, and europium were investigated as part of this work. The lanthanides were selected to act as size and electron configuration analogues of the minor actinides. Metal complexes with two ligands and two nitrates ([M(NO3)2(CMPO)2]+, for example) are studied in Bruker micrOTOF-Q II mass spectrometer equipped with collision-induced dissociation capability. The comparisons of the mass spectra are made in groups of homogenous ligands and mixed TODGA-CMPO ligands clusters. Comparisons are also made based on the complexed metals (Am and lanthanides). Preliminary data (300 words): Collision-induced dissociation mass spectrometry data are collected on two ligands complexed with metal nitrates where the two ligands are homogenous, with (CMPO)2 or (TODGA)2, or heterogeneous, with (TODGA)(CMPO). Several fragmentation patterns are observed among complexes with the CMPO ligand whereas the TODGA ligand commonly dissociates intact from the complex. Most of the metal complexes exhibit similar fragmentation patterns, but there are a few notable deviations in fragmentation patterns between the Am and Ln-bearing complexes. For the [M(CMPO)2(NO3)2]+ complexes, the initial loss of nitrate in the form of nitric acid is observed in all four complexes. However, [Am(CMPO)2(NO3)2]+ exhibits an additional fragmentation not found in the lanthanide complexes. Also, a significantly different ratio of the second nitric acid loss is found in the Am complex. These deviations may indicate the different interaction behaviors between actinides and lanthanides. The [M(TODGA)2(NO3)2]+ complexes exhibit the fragmentation as the loss of one TODGA ligand as an intact form and the loss of nitrate as nitric acid. The Am complex exhibits an additional fragmentation after losing the TOGDA ligand, which is not observed among the Ln complexes. The heterogeneous [M(TODGA)(CMPO)(NO3)2]+ complexes exhibit both similarities and differences between the Am and Ln complexes. For example, the heterogenous Am complex does not exhibit the loss of an intact TODGA ligand while all three Ln complexes do. This indicates that TODGA may bind more strongly to Am than Ln. Additionally, the intensity of the loss of CMPO ligand (as partially or whole) is found to be significantly larger than that of the loss of TODGA (as partially of whole) indicating that TODGA is bound to the metal significantly stronger than CMPO. Planned computational analysis will help understand the deviation in fragmentation behaviors between americium and lanthanide metal centers, or between TODGA and CMPO ligands. Novel aspect (20 words): Gas-phase actinide and lanthanide complex formation and fragmentation provide insight into the coordination environment differences of f-element metals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Assessing High Burnup U-19Pu-10Zr Fuel Performance against Historical and Modeled Behavior

Advancing the deployment of sodium-cooled fast reactors (SFRs) requires thorough testing of metallic fuel pins under accident conditions to establish safe operational limits of high burnup fuel. To conduct transient testing, a comprehensive understanding of steady-state fuel behavior obtained through both experimental characterization and accurate predictive capabilities is needed. This study comparatively assesses the steady-state irradiation performance of two high burnup U-19Pu-10Zr fuel pins, DP-36 and DP-40, irradiated under prototypic fast reactor conditions in preparation for planned safety testing at the Transient Reactor Test Facility. Since DP-40 was designated for use in the test and DP-36 serves as its sibling pin, non-destructive, engineering-scale post-irradiation examinations (PIE) were conducted on both pins while destructive examinations were performed exclusively on DP-36. The results were then assessed against historical performance data from similar fuel pins irradiated in the Experimental Breeder Reactor-II. Additionally, the steady-state irradiation of each pin was modeled using the BISON fuel performance code to assess the accuracy of current modeling capabilities in predicting the baseline irradiation behavior. Non-destructive examinations included neutron radiography to measure fuel column elongation, gamma scanning to verify pin integrity and fission product migration, and profilometry to assess dimensional changes. Benchmarking against existing PIE data revealed consistent patterns in axial fuel column growth and cladding diametral strain, though both pins exhibited longer low-density “fluff” structures, which can have implications for core reactivity and source term calculations. Destructive examinations on DP-36 included fission gas release analysis and sectioning for optical microscopy, which showed more complex constituent redistribution patterns than the traditionally accepted 3-ring model. The axial evolution of fractional areas and porosities of each of the redistributed zones were quantified and presented. Modeling comparisons showed agreement in fractional fission gas release but consistently overestimated axial and radial swelling and disagreed with measured axial porosity patterns. These conservative overpredictions suggested that the pins would appear closer to failure or operational limits at the start of transient tests, potentially leading to higher strain accumulation during the transient. While conservative estimates provide safety margins, they can negatively impact fuel economics. A review of the swelling models identified areas for improvement in the gaseous swelling, solid swelling, and fuel hot-pressing models when applied to ternary fuel. The results of this study highlight the critical importance of conducting pre-test characterization on both test and sibling pins to accurately capture steady-state fuel behavior, providing a precise baseline for post-test evaluations and essential inputs for transient modeling of the planned experiments. The analysis also revealed significant data gaps that require further investigation to enhance the understanding and prediction of fuel swelling and pore dynamics. Collecting comprehensive data across different irradiation conditions, burnup levels, and fuel compositions are essential for refining existing models and developing mechanistic models for both binary and ternary metallic fuels, ultimately improving the integration of modeling and experimental approaches in accident testing.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

ABC -Auxetics: An Implicit Design Approach for Negative Poisson's Ratio Materials

A novel methodology is introduced for designing auxetic (negative Poisson's ratio) structures based on topological principles and is demonstrated by investigating a new class of auxetics based on two-dimensional (2D) textile weave patterns. Conventional methodology for designing auxetic materials typically involves determining a single deformable block (a unit cell) of material whose shape results in auxetic behavior. Consequently, patterning such a unit cell in a 2D (or 3D) domain results in a larger structure that exhibits overall auxetic behavior. Such an approach naturally relies on some prior intuition and experience regarding which unit cells may be auxetic. Second, tuning the properties of the resulting structures is typically limited to parametric variations of the geometry of a specific type of unit cell. Thus, most of the currently known auxetic structures belong to a selected few classes of unit cell geometries that are explicitly defined in accordance with a specified topological (i.e., grid structure). Herein, a new class of auxetic structures is demonstrated that, while periodic, can be generated implicitly, i.e., without reference to a specific unit cell design. The approach leverages weave-based parameters (A–B–C), resulting in a rich design space for auxetics that is previously unexplored.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Directing Assembly of Mesoscale Multi‐Shell Morphologies of DNA Origami Crystals

Nature builds hierarchically ordered materials, such as seashells, wood, and bones, through spatially and temporally regulated growth. Mimicking such a level of control in synthetic systems remains challenging, particularly in achieving multiscale organizations with prescribed nanoscale arrangements and desired material morphologies. In this study, we introduce a DNA-based self-assembly strategy for constructing diverse multi-shell mesoscale morphologies from nanoscale lattices, enabling prescribed structural, and compositional 3D material patterns. Using DNA origami frames as modular monomers, we direct anisotropic epitaxial growth through addressable DNA frame binding motifs and encapsulate nanoparticles (NPs) in desired 3D patterns. Sequential monomer addition under thermodynamically favorable conditions enables shell growth through heterogeneous nucleation while minimizing unwanted homogeneous nucleation. Here, we demonstrate that DNA-encoded addressability enables epitaxial shell growth along specific lattice directions, yielding crystals with multilayered mesoscale organization, including tube-like (sushi roll) and plate-like (macaron) morphologies. Shell-specific NP configurations and compositions are achieved through addressable and differentiated placement of NPs within each shell, as validated by small-angle x-ray scattering and cross-sectional scanning transmission electron microscopy. We further demonstrate addressable NP release and reveal that shells modulate release kinetics. Together, these findings establish a platform for fabricating DNA origami crystals with programmable mesoscale morphologies, nanoscale structure, composition, and transport properties.

3D patterning↗