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At least 451 records · Page 25

Instabilities and phase transitions in architected metamaterials: a gradient-enhanced continuum approach

Architected metamaterials such as foams and lattices exhibit a wide range of properties governed by microstructural instabilities and emerging phase transitions. Their macroscopic response–including energy dissipation during impact, large recoverable deformations, morphing between configurations, and auxetic behavior–remains difficult to capture with conventional continuum models, which often rely on discrete approaches that limit scalability. In this work, we propose a nonlocal continuum formulation that captures both stable and unstable responses of elastic architected metamaterials. The framework extends anisotropic hyperelasticity by introducing nonlocal variables and internal length scales reflective of microstructural features. Local polyconvex free-energy models are systematically augmented with two families of non-(poly)convex energies, enabling both metastable and bistable responses. Implementation in a finite element framework enables solution using a hybrid monolithic–staggered strategy. Simulations capture densification fronts, forward and reverse transitions, hysteresis loops, imperfection sensitivity, and globally coordinated auxetic modes. Overall, this framework provides a robust foundation for accelerated modeling of instability-driven phenomena in architected metamaterials, while enabling extensions to anisotropic, dissipative, and active systems as well as integration with data-driven and machine learning approaches.

42 ENGINEERING↗

Phase 1 NuScale SMR FOAK Nuclear Demonstration Readiness Project (Final Scientific/Technical Report)

The overarching objective of the Phase 1 NuScale SMR First-of-a-Kind (FOAK) Nuclear Demonstration Readiness Project was to enhance competitiveness of the U.S. nuclear industry by enabling timely deployment of the NuScale small modular reactor (SMR). The scope of this Phase 1 project continued to advance the licensing and design maturity, particularly in those areas related to supporting customer readiness, supply chain integration, cost competitiveness, and cost confidence. This investment provided by the Government has accelerated development of these designs and technologies so that the existing domestic fleet of nuclear power plants remains viable and the most mature in the nuclear industry. The intent is to have the new, advanced U.S. designs be deployed as early 2026, and be globally competitive. As a part of the First-of-a-Kind Nuclear Demonstration Readiness Project, NuScale has been developing an advanced reactor design, leading the path for other development projects or complex technology advancements for existing plants that have significant technical and licensing risk. The NuScale Power team (NuScale) is advancing licensing, engineering, supply chain development, testing, and other required activities to enhance the innovation and competitiveness of the U.S. nuclear industry by enabling timely deployment of the NuScale SMR. Specifically, NuScale is performing the following activities in Phase 1. Fully supporting the NRC review of the NuScale DCA to ensure approval of a final safety evaluation report by the end of 2020. Improving plant cost confidence and cost competitiveness through design and supply chain advancement, incorporation of constructability best practices, and margin recovery to increase plant power output. Accelerating design maturity, technology development, and operational program readiness to support a customer commitment for plant deployment. The Department of Energy (DOE) Office of Scientific and Technical Information (OSTI), a unit of the Office of Science, fulfills agency-wide responsibilities to collect, preserve, and disseminate both unclassified and classified scientific and technical information (STI) emanating from DOE-funded research and development (R&D) activities at DOE national laboratories and facilities and at universities and other institutions nationwide. This scientific and technical report provides summaries of the analyses and research that was performed by NuScale under this project that achieves the objective of disseminating information to the nuclear industry to ensure the innovations realized are shared for the benefit of the industry at large.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

An integrated Imaging and Modeling Toolbox for Accelerated Development of Root-focused Crops at Field Scales

This project, led by Yuxin Wu at the LBNL, was proposed to develop an integrated imaging-modeling toolbox allowing for accelerated development of root-focused crops at field scales. Our approach is based on a novel root phenotyping method we termed Tomographic Electrical Rhizosphere Imaging (TERI), which provides advanced phenotyping of key root traits by sensing the electrical impedance response of roots and soil to external electrical excitations, and mapping these responses to root and soil properties. The role of Noble Research Institute in this project is to assist TERI model establishment and validation by collecting various above- and below-ground traits data from container- and field-grown plants (mainly wheat). Over the last three years, Noble Research Institute has conducted 3 phases of experiments as proposed including: (Phase 1) greenhouse and hoop-house experiments in wheat and pecan plants grown under controlled container-grown conditions; (Phase 2) space-planted individual plant field experiment using different wheat varieties; and (Phase 3) small-plot planted field experiment using different wheat varieties, as well as using different small grains species including wheat, rye, triticale, oat and barley for increasing plant variation.

60 APPLIED LIFE SCIENCES↗

Impact of volcanic eruptions on CMIP6 decadal predictions: a multi-model analysis

Abstract. In recent decades, three major volcanic eruptions of different intensity have occurred (Mount Agung in 1963, El Chichón in 1982 and Mount Pinatubo in 1991), with reported climate impacts on seasonal to decadal timescales that could have been potentially predicted with accurate and timely estimates of the associated stratospheric aerosol loads. The Decadal Climate Prediction Project component C (DCPP-C) includes a protocol to investigate the impact of volcanic aerosols on the climate experienced during the years that followed those eruptions through the use of decadal predictions. The interest of conducting this exercise with climate predictions is that, thanks to the initialisation, they start from the observed climate conditions at the time of the eruptions, which helps to disentangle the climatic changes due to the initial conditions and internal variability from the volcanic forcing. The protocol consists of repeating the retrospective predictions that are initialised just before the last three major volcanic eruptions but without the inclusion of their volcanic forcing, which are then compared with the baseline predictions to disentangle the simulated volcanic effects upon climate. We present the results from six Coupled Model Intercomparison Project Phase 6 (CMIP6) decadal prediction systems. These systems show strong agreement in predicting the well-known post-volcanic radiative effects following the three eruptions, which induce a long-lasting cooling in the ocean. Furthermore, the multi-model multi-eruption composite is consistent with previous work reporting an acceleration of the Northern Hemisphere polar vortex and the development of El Niño conditions the first year after the eruption, followed by a strengthening of the Atlantic Meridional Overturning Circulation the subsequent years. Our analysis reveals that all these dynamical responses are both model- and eruption-dependent. A novel aspect of this study is that we also assess whether the volcanic forcing improves the realism of the predictions. Comparing the predicted surface temperature anomalies in the two sets of hindcasts (with and without volcanic forcing) with observations we show that, overall, including the volcanic forcing results in better predictions. The volcanic forcing is found to be particularly relevant for reproducing the observed sea surface temperature (SST) variability in the North Atlantic Ocean following the 1991 eruption of Pinatubo.

Bilbao, Roberto (ORCID:0000000307294980)↗

Long-term ultrasonic monitoring of concrete affected by alkali-silica reaction

This article presents continuous monitoring results of alkali-silica reaction (ASR) development in concrete specimens for over 400 days using ultrasonic testing and expansion measurements. Eight concrete specimens with nonreactive aggregate (Control), reactive coarse aggregate, and reactive fine aggregates were cast with two reinforced confinement conditions. The specimens were conditioned in an environmental chamber with high temperature and humidity (38°C and 90% relative humidity) to accelerate the ASR development. A multichannel ultrasonic monitoring system was developed to collect ultrasonic signals automatically, and the expansions in three directions were measured periodically. Results showed that the relative velocity change could detect the ASR initiation in all reactive specimens and show a correlation with expansion in the early stage. However, these correlations are inconsistent for different ASR specimens, and the velocity change becomes less sensitive to ASR damage in the late stage (after 300 days). Irrecoverable velocity drop was observed during every chamber shutdown period, especially in specimens with higher levels of ASR damage. This phenomenon suggests that the nonlinear ultrasonic response caused by the ambient temperature variation may indicate the ASR damage.

Engineering↗

Accelerated sea-level rise is suppressing CO 2 stimulation of tidal marsh productivity: A 33-year study

Accelerating relative sea-level rise (RSLR) is threatening coastal wetlands. However, rising CO 2 concentrations may also stimulate carbon sequestration and vertical accretion, counterbalancing RSLR. A coastal wetland dominated by a C 3 plant species was exposed to ambient and elevated levels of CO 2 in situ from 1987 to 2019 during which time ambient CO 2 concentration increased 18% and sea level rose 23 cm. Plant production did not increase in response to gradually rising ambient CO 2 concentration during this period. Elevated CO 2 increased shoot production relative to ambient CO 2 for the first two decades, but from 2005 to 2019, elevated CO 2 stimulation of production was diminished. The decline coincided with increases in relative sea level above a threshold that hindered root productivity. While elevated CO 2 stimulation of elevation gain has the potential to moderate the negative impacts of RSLR on tidal wetland productivity, benefits for coastal wetland resilience will diminish in the long term as rates of RSLR accelerate.

54 ENVIRONMENTAL SCIENCES↗

Finite-size effects in lead scandium tantalate relaxor thin films

Large electromechanical effects in relaxor ferroelectrics are generally attributed to the collective response of an ensemble of correlated, nanometer-sized polar structures induced by chemical and charge disorder. Here, we study finite-size effects on such polar order (i.e., how it evolves when sample dimensions approach the polarization correlation length) in 7–70-nm-thick films of the relaxor ferroelectric PbSc 0.5 Ta 0.5 O 3 . Temperature-dependent polarization studies reveal a linear suppression of the polarization and nonlinearity associated with relaxor order as the film thickness decreases to ≈ 30 nm. Below this thickness, however, the suppression rapidly accelerates, and polarization is completely absent by film thicknesses of ≈ 7 nm, despite the continued observation of a broad peak in dielectric permittivity and frequency dispersion. Diffuse-scattering measurements reveal the diffuse-scattering symmetry, and analysis suggests the films have a polarization correlation length of ≈ 23 nm. Finally, taken together, it is apparent that reduction of sample size and the resulting distribution of polar structures drive suppression and eventual quenching of the electrical response of relaxors, which may be attributed to increasing dipole-dipole and dipole-interface interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Beryllium–tungsten graded density inner shells in double shell capsules for improved hydrodynamic stability

The outer surface of the high-Z inner shell in the double shell configuration of inertial confinement fusion experiments experiences Rayleigh–Taylor instability growth during the implosion process due to inverted density and pressure gradients between a highly compressed foam interstitial layer and the accelerating dense inner shell. Graded density layers have long been known to reduce instability growth rates. In this study, we employ high-fidelity radiation hydrodynamic simulations to demonstrate this improved stability when grading beryllium into tungsten. We first characterize the response to L-band preheat of these layers using a newly calibrated radiation drive. While graded layer capsules suffer reduced performance (here, measured as DD neutron yield from a CD foam fuel) in 1D simulations due to reduced kinetic energy coupling and reduced fuel compression, they suffer less of a performance drop when 2D instabilities are accounted for. With the improved stability of graded layers, we explore the performance of capsules with larger fuel radii and thinner shells as a preliminary study to find new designs in which graded layers produce the highest yields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Nondestructive Evaluation (NDE) of Cable Moisture Exposure using Frequency Domain Reflectometry (FDR)

This Pacific Northwest National Laboratory (PNNL) milestone report assesses the capability of frequency domain reflectometry (FDR) to determine electrical cable submergence using PNNL’s Accelerated and Real-Time Environmental Nodal Assessment (ARENA) cable/motor test bed. This work includes a review of relevant literature as well as experimental tests. Nuclear power facilities have experienced various electrical cable failures related to water exposure. The current industry response involves actions to de-water cable vaults, manholes, and other cable locations. These efforts require considerable expenditure of resources, which makes it desirable for the industry to have information on cable condition and history regarding their submergence and water exposure (Mantey 2012). Two tests that are gaining favor within the nuclear industry are time-domain reflectometry (TDR) and FDR. These are low-voltage nondestructive tests that can be applied at a cable end. Testing from the cable end is important because local inspection along the cable length is very difficult due to cables being routed within trays, conduits, underground, and through walls. Both TDR and FDR techniques have been shown to locate cable insulation damage due to thermal, radiation, and mechanical damage. FDR measurements are also more sensitive than TDR to temperature changes, low-bend radius bends, and cable contact with various materials, including conductive materials like steel and water. This work evaluates the feasibility to extend FDR testing to characterizing whether an electrical cable is submerged or not and where it may be submerged using PNNL’s ARENA cable/motor test bed.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Final Seismic Shake Table Test Plan

The Spent Fuel Waste Disposition (SFWD) program is planning to conduct a full-scale seismic shake table test on the dry storage systems of spent nuclear fuel (SNF) to close the gap related to seismic loads on fuel assemblies in dry storage systems. This test will allow for quantifying the strains and accelerations on surrogate fuel assembly hardware and cladding during earthquakes of different magnitudes and frequency content. Full-scale testing is needed because a dry storage system is a complex and highly nonlinear system making it hard to predict (model) the responses to seismic excitations. The non-linearity arises from the multiple spatial gaps in the system – between fuel rods and the basket, between the basket and dry storage canister, between the dry storage canister and the storage cask (overpack), and ventilation gaps. The non-linearities pose significant limitations on the value of tests with scaled systems.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Report of the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science

This report summarizes insights from the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science, which convened more than 40 experts from national laboratories, academia, industry, and community organizations to chart a path toward more powerful, sustainable, and collaborative scientific software ecosystems. To address urgent challenges at the intersection of high-performance computing (HPC), AI, and scientific software, participants envisioned agile, robust ecosystems built through socio-technical co-design—the intentional integration of social and technical components as interdependent parts of a unified strategy. This approach combines advances in AI, HPC, and software with new models for cross-disciplinary collaboration, training, and workforce development. Key recommendations include building modular, trustworthy AI-enabled scientific software systems; enabling scientific teams to integrate AI systems into their workflows while preserving human creativity, trust, and scientific rigor; and creating innovative training pipelines that keep pace with rapid technological change. Pilot projects were identified as near-term catalysts, with initial priorities focused on hybrid AI/HPC infrastructure, cross-disciplinary collaboration and pedagogy, responsible AI guidelines, and prototyping of public-private partnerships. This report presents a vision of next-generation ecosystems for scientific computing where AI, software, hardware, and human expertise are interwoven to drive discovery, expand access, strengthen the workforce, and accelerate scientific progress.

97 MATHEMATICS AND COMPUTING↗

From Stewardship to Transformation: Toward a Nuclear Enterprise for the 21st Century

The erosion of the global security environment over the last two decades has been rapid and dramatic. It appears also to be accelerating. There are deep and widening concerns in the United States and among its allies and partners that deterrence too has eroded at both the conventional and nuclear levels. The Strategic Posture Commission captured the essence of the problem in its October 2023 report—the United States seeks to meet the challenges of complex multipolar nuclear rivalry in the 21 st century with a slimmed down version of a nuclear deterrent designed in the middle of the 20 th century. With great urgency, the Commission recommended that something more and/or different is needed than simply the replacement of legacy systems with modern variants. But the U.S. nuclear security enterprise was reshaped after the Cold War to support the stockpile stewardship mission—not renewed designed, engineering, and production at scale. It has long fallen short of the agility, flexibility, and adaptiveness periodically asked of it by national leaders. In recent years, however, the message of urgency has been clearly received in the enterprise. Its culture has begun to shift. It has also been received by those in Washington D.C. responsible for funding and guiding the enterprise. The result is an enterprise in transition. Stockpile stewardship has given way to stockpile transformation. Risk aversion is giving way to risk management. Innovation and adaptation have been embraced. Experience to date has yielded some important lessons about what works and what doesn’t in terms of accelerating and delivering the needed innovation and adaptation. It has revealed the enduring character of some challenges. But it has also revealed that a much more agile and effective enterprise is within the national reach—something that will pay important dividends for deterrence, assurance, strategic stability, and peace.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

A goldilocks computational protocol for inhibitor discovery targeting DNA damage responses including replication-repair functions

While many researchers can design knockdown and knockout methodologies to remove a gene product, this is mainly untrue for new chemical inhibitor designs that empower multifunctional DNA Damage Response (DDR) networks. Here, we present a robust Goldilocks (GL) computational discovery protocol to efficiently innovate inhibitor tools and preclinical drug candidates for cellular and structural biologists without requiring extensive virtual screen (VS) and chemical synthesis expertise. By computationally targeting DDR replication and repair proteins, we exemplify the identification of DDR target sites and compounds to probe cancer biology. Our GL pipeline integrates experimental and predicted structures to efficiently discover leads, allowing early-structure and early-testing (ESET) experiments by many laboratories. By employing an efficient VS protocol to examine protein-protein interfaces (PPIs) and allosteric interactions, we identify ligand binding sites beyond active sites, leveraging in silico advances for molecular docking and modeling to screen PPIs and multiple targets. A diverse 3,174 compound ESET library combines Diamond Light Source DSI-poised, Protein Data Bank fragments, and FDA-approved drugs to span relevant chemotypes and facilitate downstream hit evaluation efficiency for academic laboratories. Two VS per library and multiple ranked ligand binding poses enable target testing for several DDR targets. This GL library and protocol can thus strategically probe multiple DDR network targets and identify readily available compounds for early structural and activity testing to overcome bottlenecks that can limit timely breakthrough drug discoveries. By testing accessible compounds to dissect multi-functional DDRs and suggesting inhibitor mechanisms from initial docking, the GL approach may enable more groups to help accelerate discovery, suggest new sites and compounds for challenging targets including emerging biothreats and advance cancer biology for future precision medicine clinical trials.

59 BASIC BIOLOGICAL SCIENCES↗

Electrochemical Control of the Ultrafast Lattice Response of a Layered Semimetal

The unique layer-stacking in two-dimensional (2D) van der Waals materials facilitates the formation of nearly degenerate phases of matter and opens novel routes for the design of low-power, reconfigurable functional materials. Electrochemical ion intercalation between stacked layers offers a promising approach to stabilize bulk metastable phases and to explore the effects of extreme carrier doping and strain. However, in situ characterization methods to study the structural evolution and dynamical functional properties of these intercalated materials remains limited. Here a novel experimental platform is presented capable of simultaneously performing electrochemical lithium-ion intercalation and multimodal ultrafast characterization of the lattice using both electron diffraction and nonlinear optical techniques. Using the layered semimetal WTe 2 as a model system, the interlayer shear phonon mode that modulates stacking between 2Dlayers is probed, showing that small amounts of lithiation enhance the amplitude and lifetime of the phonon, contrary to expectations. This results from the dynamically fluctuating and anharmonic structure between nearly degenerate phases at room temperature, which can be stabilized by electronic carriers accompanying the inserted lithium ions. At high lithiation, the T d ’ structure emerges and quenches the phonon response. This work defines new approaches for using electrochemistry to engineer the dynamic structure of 2D materials.

36 MATERIALS SCIENCE↗

Increasing atmospheric dryness reduces boreal forest tree growth

Rising atmospheric vapour pressure deficit (VPD) associated with climate change affects boreal forest growth via stomatal closure and soil dryness. However, the relationship between VPD and forest growth depends on the climatic context. Here we assess Canadian boreal forest responses to VPD changes from 1951-2018 using a well-replicated tree-growth increment network with approximately 5,000 species-site combinations. Of the 3,559 successful growth models, we observed a relationship between growth and concurrent summer VPD in one-third of the species-site combinations, and between growth and prior summer VPD in almost half of those combinations. The relationship between previous year VPD and current year growth was almost exclusively negative, while current year VPD also tended to reduce growth. Tree species, age, annual temperature, and soil moisture primarily determined tree VPD responses. Younger trees and species like white spruce and Douglas fir exhibited higher VPD sensitivity, as did areas with high annual temperature and low soil moisture. Since 1951, summer VPD increases in Canada have paralleled tree growth decreases, particularly in spruce species. Accelerating atmospheric dryness in the decades ahead will impair carbon storage and societal-economic services.

54 ENVIRONMENTAL SCIENCES↗

Effects of electron beam irradiation on CrMnV and CrMnTiV high entropy alloys: Nano-mechanical, structural, and thermodynamic perspectives

Beam exit windows are crucial components of any particle accelerator as they provide an interface between the beamline vacuum and target material at atmospheric media. For high beam power machines, special materials and designs are required to withstand high radiation and mechanical loads, while minimizing energy loss during transition and maximizing window lifetime. This research investigates the impact of electron beam exposure to bulk CrMnV and CrMnTiV high entropy alloys (HEAs) with the primary goal of identifying suitable candidate materials for the design of robust and durable exit window settings. The selection criteria include intrinsic characteristics, power dissipation, and mechanical responses. According to the thermodynamic calculations, both equiatomic CrMnV and the addition of 7% of Ti with equiatomic CrMnV yield solid-solutions phases. The structural and mechanical properties of CrMnV and CrMnTiV samples were tested using field emission scanning electron microscopy, atomic force microscopy, scanning electron microcopy with energy dispersive x-ray spectroscopy, x-ray diffraction, and nanoindentation before and after exposure to a dose of ~66 kGy from a 10 MeV e-beam accelerator. Despite exhibiting beam transmission characteristics comparable to Cr and V, the indentation hardness of HEAs exceeded that of the Cr and V samples by five to six times. The examination of the CrMnTiV irradiated samples revealed organized deformation patterns depicting new features, which we suspect twinning and twin boundaries due to the addition of Ti to CrMnV. Ti, a hexagonal-close-packed crystal structure, is commonly known for deformation twinning behavior.

36 MATERIALS SCIENCE↗

Accelerating Structure–Property Relationship Discovery with Multimodal Machine Learning and Self-Driving Microscopy

Microscopy combined with local spectroscopy is widely used to correlate nanoscale structure with functional properties in materials, but conventional measurements rely heavily on human-selected sampling locations and predefined targets, limiting data set diversity and the potential for discovery. Here, we present a framework that integrates autonomous microscopy with dual-novelty deep kernel learning (DN-DKL) for adaptive data acquisition and a dual variational autoencoder (VAE) for representation learning. DN-DKL actively guides the microscopy toward structurally and spectroscopically novel regions, enabling efficient collection of large spectral data sets. Dual-VAE embeds local structures and spectroscopic responses into a shared latent manifold that serves as a structure–property relationship map. We applied this framework for the investigation of halide perovskite films by using conductive atomic force microscopy. The results reveal distinct hysteresis behaviors that are linked to specific nanoscale structural motifs, including grain boundary junction points that show hysteresis under different bias conditions and asymmetric grain boundaries that suppress the charge transport. This framework establishes a general strategy that leverages the complementary strengths of self-driving microscopy, machine learning, and human expertise to accelerate scientific discovery in functional materials.

atomic force microscopy↗

Engineering-scale Modeling of High-Temperature Creep and Creep Crack Growth in Alloy 316H

This document demonstrates completion of the goals described in the technical narrative of the Department of Energy’s Industry Funding Opportunity Announcement (iFOA) project entitled “Modeling and Simulation Development Pathways to Accelerating KP-FHR Licensing,” which relates to the development and demonstration of capabilities for conducting engineering-scale simulations of Alloy 316H components under high-temperature conditions. This work encompassed two major aspects: integrating and testing constitutive models for the creep response of 316H at high temperatures, and developing tools for modeling creep crack growth (CCG) in 316H. Two classes of constitutive models were used in this effort: phenomenological models based on behavior observed at the engineering scale, and reduced-order models (ROMs) that represent the nonlinear response of mesoscale models that capture the sensitivity to material microstructure and processing. Likewise, the approaches employed for CCG modeling considered both simplified engineering approaches and detailed simulations of creep and damage ahead of the crack tip. These developments, which were performed by utilizing the Grizzly code as well as the open-source libraries it depends on, strengthen Grizzly’s ability to support licensing and safety analyses of high-temperature reactor components.

316H↗