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DOE OSTI2014

L-serine capped ZnS:Mn nanocrystals for plant cell biological studies and as a growth enhancing agent for micropropagation of Bacopa monnieri Linn. (Brahmi:Scrophulariaceae)

In the present work, the prospects of ZnS:Mn nanocrystals capped with L- serine, a bio-compatible amino acid, synthesized by wet chemical route, as efficient fluorescent probes for plant cell biological studies have been investigated. The present synthesis route using bio-compatible material is a low cost and easy to control method. The colloidal stability of the capped nano crystals is very good as they remain stable without settling down for long time. It is observed that L- serine significantly modifies the structural and optical characteristics of the ZnS:Mn nanocrystals and hence is suitable as a bio-compatible capping agent. The structural properties of L- serine capped nanocrystals were investigated by XRD technique. The size of the L- serine capped ZnS:Mn nanocrystals is found to be around 2 nm . The optical characterization of the nanocrystals was carried out on the basis of photoluminescence (PL) spectroscopic studies. The intense photoluminescence emission observed around 597nm for L-serine capped ZnS:Mn offers high prospects of applications in bio-imaging fields. The unique optical properties of nanoparticles make them appealing as in vivo and in vitro fluorophores in a variety of biological investigations. In the present study, L-serine capped ZnS:Mn nanocrystals were used as a staining dye in fluorescent microscope for observing cell division, cell structure etc. These nanocrystals were also incorporated into the culture media along with the normal auxin- cytokinin hormone combinations in Murashige and Skoog (MS) medium for micropropagation of Bacopa monnieri Linn. (Brahmi:Scrophulariaceae), an Ayurvedic medicine. The results suggest that L-serine capped ZnS:Mn nanocrystals can act as efficient enhancers towards quick callusing and shoot proliferation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2017

Hydro-instability growth of perturbation seeds from alternate capsule-support strategies in indirect-drive implosions on National Ignition Facility

Hydrodynamic instability growth of the capsule support membranes (or “tents”) and fill tubes has been studied in spherical, glow discharge polymer plastic capsule implosions at the National Ignition Facility (NIF). In NIF implosions, the capsules are supported by tents because the nominal 10-μm thick fill tubes are not strong enough to support capsules by themselves. After it was recognized that the tents had a significant impact of implosion stability, new support methods were investigated, including thicker, 30-μm diameter fill tubes and cantilevered fill tubes, as described in this article. A new “sub-scale” version of the existing x-ray radiography platform was developed for measuring growing capsule perturbations in the acceleration phase of implosions. It was calibrated using hydrodynamic growth measurements of pre-imposed capsule modulations with Legendre modes of 60, 90, 110, and 140 at convergence ratios up to ~2.4. Subsequent experiments with 3-D perturbations have studied instability growth of 10-μm and 30-μm thick fill tubes to compare them with 30-nm thick tent perturbations at convergence ratios up to ~3. In other experiments, the perturbations from cantilevered fill tubes were measured and compared to the tent perturbations. The cantilevered fill tubes were supported by 12-μm thick SiC rods, offset by 100 μm, 200 μm, and 300 μm from the capsule surfaces. Based on these experiments, 30-μm thick fill tubes and 300-μm offset cantilevered fill tubes were recommended for further tests using layered deuterium-tritium implosions. In conclusion, the effects of x-ray shadowing during the drive and oxygen-induced perturbations during target assembly produced additional seeds for instabilities and were also measured in these experiments.

42 ENGINEERING↗

DOE OSTI2018

On the system stability and calibration of the image plate/scanner system for plasma diagnosis at the National Ignition Facility

At the National Ignition Facility (NIF), storage phosphor image plates (IP) are used extensively for recording x-rays, charged particles, and neutrons. For x-ray imaging and spectroscopy, absolute and relative calibrations are important for extracting plasma information from the diagnostics. We use Fuji MS, SR, and TR image plates that have been cut to fit custom diagnostic envelopes. The image plates are scanned on a General Electric FLA 7000 IP flying spot scanner. Calibrations for sensitivity, spatial scale, and temperature dependent fade are applied. During a set of recent calibrations, we noticed large shifts in the absolute calibration of the image plate system. The possible source of these shifts is discussed. We discuss scanner stability and a method for calibration. We discuss the fade and temperature effects of the image plates and how this correction is applied within the NIF environment. Here, we also compare our NIF GE FLA 7000 IP scanner with a new General Electric Amersham Typhoon IP scanner.

47 OTHER INSTRUMENTATION↗

DOE OSTI2026

A critical review on additive manufacturing of refractory alloys from a data analytics perspective- beyond nickel-based superalloys

Refractory alloys (RAs) are promising materials due to their exceptional physicochemical properties, but most research remains at the laboratory scale. For broader adoption, advancements in manufacturing are essential. Because their high stability makes conventional methods like machining and casting difficult, additive manufacturing (AM) is emerging as an effective approach for fabricating refractory alloy components. However, AM's repeated non-equilibrium thermal cycles introduce undesired features (e.g. defects, anisotropic microstructures, and residual stresses), which are magnified due to RAs’ unique properties. This paper comprehensively reviews the state-of-the-art methods of AM for refractory alloys. It explores data analytics techniques to establish design rules based on multi-fidelity experimental and computational methods. Furthermore, it investigates integrated, collaborative efforts to harmonise standalone databases, information, knowledge, and predictive models at multi-physics, multi-stage, and multi-scale. Unlike the existing literature that focuses primarily on material systems or process fundamentals, this work provides an integrated perspective on AM of refractory alloys from a data analytics standpoint, highlighting the roles of integrated computational materials engineering (ICME), verification, validation, and uncertainty quantification (VV&UQ), and digital twin-driven qualification in overcoming data scarcity and accelerating rapid qualification.

Additive manufacturing↗

DOE OSTI2016

Generalized multiband typical medium dynamical cluster approximation: Application to (Ga,Mn)N

We generalize the multiband typical medium dynamical cluster approximation and the formalism introduced by Blackman, Esterling, and Berk so that it can deal with localization in multiband disordered systems with both diagonal and off-diagonal disorder with complicated potentials. We also introduce an ansatz for the momentum-resolved typical density of states that greatly improves the numerical stability of the method while preserving the independence of scattering events at different frequencies. Starting from the first-principles effective Hamiltonian, we apply this method to the diluted magnetic semiconductor Ga 1 - x Mn x N , and find the impurity band is completely localized for Mn concentrations x < 0.03 , while for 0.03 < x < 0.10 the impurity band has delocalized states but the chemical potential resides at or above the mobility edge. So, the system is always insulating within the experimental compositional limit ( x ≈ 0.10 ) due to Anderson localization. But, for 0.03 < x < 0.10 hole doping could make the system metallic, allowing double-exchange mediated, or enhanced, ferromagnetism. Finally, this developed method is expected to have a large impact on first-principles studies of Anderson localization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Doubling fusion power with volumetric optimization in magnetic confinement fusion devices

A technique, volumetric power optimization, is presented for enhancing the power output of magnetic confinement fusion devices. Applied to a tokamak, this approach involves shifting the burning plasma region to a larger plasma volume while introducing minimal perturbations to the plasma boundary shape. This edge perturbation—squareness—is analogous to pinching and stretching the edge boundary. Stability calculations confirm that this edge alteration is compatible with maintaining plasma stability. This optimization method for optimizing fusion power output could improve the performance of magnetic confinement fusion power plants.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

A Scalable Preconditioner for a Primal Discontinuous Petrov--Galerkin Method

In this work, we show how a scalable preconditioner for the primal discontinuous Petrov--Galerkin (DPG) method can be developed using existing algebraic multigrid (AMG) preconditioning techniques. The stability of the DPG method gives a norm equivalence which allows us to exploit existing AMG algorithms and software. We show how these algebraic preconditioners can be applied directly to a Schur complement system arising from the DPG method. One of our intermediate results shows that a generic stable decomposition implies a stable decomposition for the Schur complement. This justifies the application of algebraic solvers directly to the interface degrees of freedom. Combining such results, we obtain the first massively scalable algebraic preconditioner for the DPG system.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Absolute calibration of optical streak cameras on picosecond time scales using supercontinuum generation

Here we report a new method using high stability, laser-driven supercontinuum generation in a liquid cell to calibrate the absolute photon response of fast optical streak cameras as a function of wavelength when operating at fastest sweep speeds. A stable, pulsed white light source based around the use of self-phase modulation in a salt solution was developed to provide the required brightness on picosecond timescales, enabling streak camera calibration in fully dynamic operation. The measured spectral brightness allowed for absolute photon response calibration over a broad spectral range (425-650nm). Calibrations performed with two Axis Photonique streak cameras using the Photonis P820PSU streak tube demonstrated responses which qualitatively follow the photocathode response. Peak sensitivities were 1 photon/count above background. The absolute dynamic sensitivity is less than the static by up to an order of magnitude. We attribute this to the dynamic response of the phosphor being lower.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2015

A Kinetic Approach to Modeling the Manufacture of High Density Polyurethane Structural Foam: Foaming and Polymerization

This report details the study of PMDI structural foam and the development of a computational model to represent it. This polyurethane has a fast catalyst, such that foaming and polymerization occur simultaneously. The foam is over-packed to twice or more of its free rise density to reach the density of interest. Our approach is to combine model development closely with experiments to discover underlying physical phenomena, to parameterize models, and to validate the models once they have been developed. The model must be able to represent the expansion, filling of molds, curing, and final foam properties. PMDI is a chemically blown foam, where carbon dioxide is produced via the reaction of water and isocyanate. The isocyanate also reacts with polyol in a competing reaction, which produces the polymer. A new kinetic model is developed and implemented, which follows a simplified mathematical formalism that decouples these two reactions. The model predicts the polymerization reaction via condensation chemistry, where vitrification and glass transition temperature evolution must be included to correctly predict the temperature dependence of the kinetics. The foam gas generation kinetics are determined by tracking the molar concentration of both water and carbon dioxide. Understanding the thermal history and loads on the foam due to exothermicity and oven curing is very important to the results, since the kinetics and material properties are all sensitive to temperature. The conservation equations, including the equations of motion, an energy balance, and three rate equations are solved via a stabilized finite element method. We assume generalized-Newtonian rheology that is dependent on the extent of cure, gas fraction, and temperature. The conservation equations are combined with a level set method to determine the location of the free surface over time. Results from the model are compared to experimental flow visualization data and post-test X-ray computed tomography (CT) data for the density. Several geometries are investigated including a mock encapsulation part, two configurations of a mock structural part, and a bar geometry to specifically test the density model. We have found that the model predicts both average density and filling profiles well. However, it under predicts density gradients, especially in the gravity direction. Further model improvements are also discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Summary Report of Laboratory Testing to Establish the Effectiveness of Proposed Treatment Methods for Unremediated and Remediated Nitrate Salt Waste Streams

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Summary Report of Comprehensive Laboratory Testing to Establish the Effectiveness of Proposed Treatment Methods for Unremediated and Remediated Nitrate Salt Waste Streams

The inadvertent creation of transuranic waste carrying hazardous waste codes D001 and D002 requires the treatment of the material to eliminate the hazardous characteristics and allow its eventual shipment and disposal at the Waste Isolation Pilot Plant (WIPP). This report documents the effectiveness of two treatment methods proposed to stabilize both the unremediated and remediated nitrate salt waste streams (UNS and RNS, respectively) at Los Alamos National Laboratory (LANL). The two technologies include the addition of zeolite (with and without the addition of water as a processing aid) and cementation. Surrogates were developed to evaluate both the solid and liquid fractions expected from parent waste containers, and both the solid and liquid fractions were tested. Both technologies are shown to be effective at eliminating the characteristic of ignitability (D001), and the addition of zeolite was determined to be effective at eliminating corrosivity (D002), with the preferred option1 of adding zeolite currently planned for implementation at LANL’s Waste Characterization, Reduction, and Repackaging Facility (WCRRF). The course of this work verified the need to evaluate and demonstrate the effectiveness of the proposed remedy for debris material, if required. The evaluation determined that WypAlls, cheesecloth, and Celotex absorbed with saturated nitrate salt solutions exhibit the ignitability characteristic (all other expected debris is not classified as ignitable). Finally, liquid surrogates containing saturated nitrate salts did not exhibit the characteristic of ignitability in their pure form (those neutralized with Kolorsafe and mixed with sWheat did exhibit D001). Sensitivity testing and an analysis were conducted to evaluate the waste form for reactivity. Tests included subjecting surrogate material to mechanical impact, friction, electrostatic discharge and thermal insults. The testing confirmed that the waste does not exhibit the characteristic of reactivity (D003). Follow-on testing was conducted to demonstrate the effectiveness of zeolite stabilization for ignitable WypAll and cheesecloth debris and additional nitrate salt solutions (those exhibiting the oxidizer characteristic) to demonstrate the effectiveness of the remedy. Follow-on testing also included testing of surrogate materials containing Waste Lock 770, which is present in four of the RNS containers, and potential items of debris such as plywood and Celotex material. Testing to evaluate the effectiveness of the remedy was performed using the specific remediation processes that are planned for use at the WCRRF. Finally, testing was also performed to evaluate the holding capacity of zeolite using a highly acidic surrogate solution and to characterize the composition of gases generated during mixing of zeolite with surrogate solutions. All these tests demonstrated the effectiveness of adding zeolite as the planned remedy.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

HYSPLIT/MACCS Atmospheric Dispersion Model Technical Documentation and Benchmark Analysis

The nuclear accident consequence analysis code MACCS has traditionally modeled dispersion during downwind transport using a Gaussian plume segment model. MACCS is designed to estimate consequence measures such as air concentrations and ground depositions, radiological doses, and health and economic impacts on a statistical basis over the course of a year to produce annualaveraged output measures. The objective of this work is to supplement the Gaussian atmospheric transport and diffusion (ATD) model currently in MACCS with a new option using the HYSPLIT model. HYSPLIT/MACCS coupling has been implemented, with HYSPLIT as an alternative ATD option. The subsequent calculations in MACCS use the HYSPLIT-generated air concentration, and ground deposition values to calculate the same range of output quantities (dose, health effects, risks, etc.) that can be generated when using the MACCS Gaussian ATD model. Based on the results from the verification test cases, the implementation of the HYSPLIT/MACCS coupling is confirmed. This report contains technical details of the HYSPLIT/MACCS coupling and presents a benchmark analysis using the HYSPLIT/MACCS coupling system. The benchmark analysis, which involves running specific scenarios and sensitivity studies designed to examine how the results generated by the traditional MACCS Gaussian plume segment model compare to the new, higher fidelity HYSPLIT/MACCS modeling option, demonstrates the modeling results that can be obtained by using this new option. The comparisons provided herein can also help decision-makers evaluate the potential benefit of using results based on higher fidelity modeling with the additional computational burden needed to perform the calculations. Three sensitivity studies to investigate the potential impact of alternative modeling options, regarding 1) input meteorological data set, 2) method to estimate stability class, and 3) plume dispersion model for larger distances, on consequence results were also performed. The results of these analyses are provided and discussed in this report.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

High efficiency, high-current laser-driven electron injector (CRADA Final Report)

Owing to ultra-high fields sustainable in a plasma, laser-plasma accelerator technology enables compact, high-brightness, sources of electron beams. This work investigates novel electron injection methods. Key to this research is to understand laser energy and pointing stability and to develop methods and techniques to control fluctuations. This project benefits other areas of scientific inquiry by developing a high-repetition rate, high-brightness electron source for probing materials and ultra-fast processes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

High efficiency, high-current laser-driven electron injector (CRADA Final Report)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

NIOLD Run 4 Report

In this report we discuss the motivation, methods, and analysis of the IOTA Run 4 studies of the Nonlinear Integrable Optics, Landau Damping (NIOLD) experiment. We introduce Landau Damping, an effect that damps collective instabilities in particle accelerators. We also introduce and discuss a new method to measure stability diagrams which quantify the strength of Landau Damping, that employs an antidamper. We also present the data collection process, the data analysis procedure, and the preliminary results. The first results qualitatively agree with the analytical predictions and the simulations. Next steps for the current data and goals for future data are also discussed.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Trust-Based Detection and Mitigation of Cyber Attacks in Distributed Cooperative Control of Islanded AC Microgrids

In this study, we address the challenge of detecting and mitigating cyber attacks in the distributed cooperative control of islanded AC microgrids, with a particular focus on detecting False Data Injection Attacks (FDIAs), a significant threat to the Smart Grid (SG). The SG integrates traditional power systems with communication networks, creating a complex system with numerous vulnerable links, making it a prime target for cyber attacks. These attacks can lead to the disclosure of private data, control network failures, and even blackouts. Unlike machine learning-based approaches that require extensive datasets and mathematical models dependent on accurate system modeling, our method is free from such dependencies. To enhance the microgrid’s resilience against these threats, we propose a resilient control algorithm by introducing a novel trustworthiness parameter into the traditional cooperative control algorithm. Our method evaluates the trustworthiness of distributed energy resources (DERs) based on their voltage measurements and exchanged information, using Kullback-Leibler (KL) divergence to dynamically adjust control actions. We validated our approach through simulations on both the IEEE-34 bus feeder system with eight DERs and a larger microgrid with twenty-two DERs. The results demonstrated a detection accuracy of around 100%, with millisecond range mitigation time, ensuring rapid system recovery. Additionally, our method improved system stability by up to almost 100% under attack scenarios, showcasing its effectiveness in promptly detecting attacks and maintaining system resilience. These findings highlight the potential of our approach to enhance the security and stability of microgrid systems in the face of cyber threats.

Computer Science↗

DOE OSTI2020

A framework to evaluate IMEX schemes for atmospheric models

We present a new evaluation framework for implicit and explicit (IMEX) Runge–Kutta time-stepping schemes. The new framework uses a linearized nonhydrostatic system of normal modes. We utilize the framework to investigate the stability of IMEX methods and their dispersion and dissipation of gravity, Rossby, and acoustic waves. We test the new framework on a variety of IMEX schemes and use it to develop and analyze a set of second-order low-storage IMEX Runge–Kutta methods with a high Courant–Friedrichs–Lewy (CFL) number. We show that the new framework is more selective than the 2-D acoustic system previously used in the literature. Schemes that are stable for the 2-D acoustic system are not stable for the system of normal modes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

Electrochromic nickel oxide simultaneously doped with lithium and a metal dopant

An electrochromic device comprising a counter electrode layer comprised of lithium metal oxide which provides a high transmission in the fully intercalated state and which is capable of long-term stability, is disclosed. Methods of making an electrochromic device comprising such a counter electrode are also disclosed.

42 ENGINEERING↗