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At least 955 records · Page 53

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DOE OSTI2026

Methanol mixing controlled combustion process enabled by methanol dehydration to dimethyl ether

This work demonstrates an initial proof-of-concept approach for operating a compression ignition off-road and marine relevant engine using neat methanol. The approach utilizes mixing controlled compression ignition (MCCI) of methanol that is enabled by a homogeneous charge compression ignition (HCCI) pre-burn of premixed dimethyl ether (DME). Although two fuels are used, this work explores and evaluates the opportunity and performance to generate the premixed fuel via. methanol catalytic dehydration over an alumina catalyst at engine relevant temperatures, pressures, and space velocities. Conversion purity and species output results from catalytic dehydration bench flow reactor studies were coupled with single cylinder experiments of the characterized output species for pre-burn HCCI performance. Subsequent initial methanol MCCI performance is also evaluated and compared relative to conventional diesel combustion. The detailed flow reactor results show that the catalytic dehydration conversion efficiency of methanol to DME is a function of system pressure, temperature, and space velocity. The engine results demonstrate that a 100% conversion of methanol to DME is not required for successful pre-burn HCCI, and the water formed during the dehydration process does not need to be removed to achieve the desired HCCI event from this pre-burn mixture. Subsequent methanol MCCI combustion results show that the level of methanol slip in the dehydration process affects the pre-burn HCCI phasing, low temperature heat release process, and magnitude of energy released, all of which can dictate the available window for direct injection of methanol for MCCI combustion.

Jatana, Gurneesh [ORNL] (ORCID:0000000288903225)↗

DOE OSTI2022

FPGA-based computing system for processing data in size, weight, and power constrained environments

Technologies that are well-suited for use in size, weight, and power (SWAP)-constrained environments are described herein. A host controller dispatches data processing instructions to hardware acceleration engines (HAEs) of one or more field programmable gate arrays (FPGAs) and further dispatches data transfer instructions to a memory controller, such that the HAEs perform processing operations on data stored in local memory devices of the HAEs in parallel with other data being transferred from external memory devices coupled to the FPGA(s) to the local memory devices.

Napier, Matthew↗

DOE OSTI2020

Constrained Bayesian Optimization of Criticality Experiments at LLNL [Slides]

The design of criticality experiments is typically an iterative process that employs a Monte Carlo transport code. The goal is to find a design that optimizes some variable, like the sensitivity of a response to a cross section, while simultaneously ensuring criticality. The high fidelity of the Monte Carlo code is a great asset, but it makes exploring the design space computationally expensive. Herein, we present how a constrained Bayesian optimization algorithm can be used to efficiently design a criticality experiment. It uses Gaussian processes as a surrogate model to probe the design space and to reduce the number of code executions that are needed to find the optimum. We demonstrate constrained Bayesian optimization with a Pu-239/polyethylene solution system and a TEX experiment that is designed for critical ity safety validation of a nuclear waste model at the Hanford Site. For both systems, a global optimum was found within 75 Monte Carlo simulations.

42 ENGINEERING↗

DOE OSTI2017

Modeling and Simulation of Compression Molding Process for Sheet Molding Compound (SMC) of Chopped Carbon Fiber Composites

Compression molded SMC composed of chopped carbon fiber and resin polymer which balances the mechanical performance and manufacturing cost presents a promising solution for vehicle lightweight strategy. However, the performance of the SMC molded parts highly depends on the compression molding process and local microstructure, which greatly increases the cost for the part level performance testing and elongates the design cycle. ICME (Integrated Computational Material Engineering) approaches are thus necessary tools to reduce the number of experiments required during part design and speed up the deployment of the SMC materials. As the fundamental stage of the ICME workflow, commercial software packages for SMC compression molding exist yet remain not fully validated especially for chopped fiber systems. In this study, SMC plaques are prepared through compression molding process. The corresponding simulation models are built in Autodesk Moldflow with the same part geometry and processing conditions as in the molding tests. The output variables of the compression molding simulations, including press force history and fiber orientation of the part, are compared with experimental data. Influence of the processing conditions to the fiber orientation of the SMC plaque is also discussed. It is found that generally Autodesk Moldflow can achieve a good simulation of the compression molding process for chopped carbon fiber SMC, yet quantitative discrepancies still remain between predicted variables and experimental results.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Viscous fingering with partially miscible fluids

Viscous fingering—the fluid-mechanical instability that takes place when a low-viscosity fluid displaces a high-viscosity fluid—has traditionally been studied under either fully miscible or fully immiscible fluid systems. In this work, we study the impact of partial miscibility (a common occurrence in practice) on the fingering dynamics. Through a careful design of the thermodynamic free energy of a binary mixture, we develop a phase-field model of fluid-fluid displacements in a Hele-Shaw cell for the general case in which the two fluids have limited (but nonzero) solubility into one another.We show, bymeans of high-resolution numerical simulations, that partial miscibility exerts a powerful control on the degree of fingering: fluid dissolution hinders fingering while fluid exsolution enhances fingering. Additionally, we show that, as a result of the interplay between compositional exchange and the hydrodynamic pattern-forming process, stronger fingering promotes the system to approach thermodynamic equilibrium more quickly.

42 ENGINEERING↗

DOE OSTI2019

Combustion Research I.1 Sprays, Flow, Heat Transfer and Turbulent Mixing

LANL is working with the Partnership for Advance Combustion Engines (PACE) a DOE sponsored consortium of national laboratories for the research and development for creating smarter engine design tools for sustainable transportation. Much of that effort is focused on heat, mass and momentum transfer within and engine. LANL’s focus in 2019, in particular under PACE has been spray modeling and engine mixture formulation, development of conjugate heat transfer analysis (heat transfer to the environment surrounding the combustion chamber). Our efforts relay on the Fast, Easy, Accurate and Robust Continuum Engineering (FEARCE) software developed at LANL as the next generation of engine modeling software for turbulent reactive and multiphase flow, a 2019 R&D 100 winner. This work is relevant to the DOE Vehicle Technologies Office efforts at addressing national energy security as well. Less dependence on petroleum products leads to greater energy security. By Environmental Protection Agency standards, some vehicles are now reaching 42–50 mpg mark. These are conventional gasoline engines. With continued investment and research into new technical innovations, the potential exists to save more than 4 million barrels of oil per day or approximately $200 to $400 million per day. This would be a significant decrease in emissions and use of petroleum and a very large stimulus to the U.S. economy. Better understanding of fuel injection and fuel–air mixing, thermodynamic combustion losses, and combustion/emission formation processes enhances our ability to minimize fuel use and unwanted emissions. Helping to accomplish this understanding, the FEARCE modeling program is working to provide state-of-theart capability for accurately simulating combustion processes: to have a predictive methodology in a software helping industry and researchers not only meet national goals on fuel usage and emissions, but global goals. In addition, a predictive, robust, and accurate capability for simulating the engine combustion process helps to minimize time and labor for development of new engine technology.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2018

Concurrent Uranium Overmass and Hydraulic Fluid Leak

In the Spring of 2017, the Y-12 National Security Complex had a NCS operational event involving hydraulic fluid leaking into a glovebox containing fissile material. The hydraulic fluid intermixed with fissile material in the glovebox but remained in a safe slab-like configuration. Unknown at the time, a large enough mass of uranium to support a moderated nuclear criticality accident resided below the glovebox floor in an unfavorable volume sand separator system. Thanks to the operator following procedures and shutting down the hydraulic pump supplying the jolter, a potential accident was adverted. As a result of the event, significant physical modifications were made to the process to enhance safety. Additionally, changes were made in how the materials in the glovebox are processed in order to prevent liquid intrusion and significant uranium accumulation in the sand separator system.

42 ENGINEERING↗

DOE OSTI2020

Dynamically adapting mechanism for translation lookaside buffer shootdowns

An operating system (OS) of a processing system having a plurality of processor cores determines a cost associated with different mechanisms for performing a translation lookaside buffer (TLB) shootdown in response to, for example, a virtual address being remapped to a new physical address, and selects a TLB shootdown mechanism to purge outdated or invalid address translations from the TLB based on the determined cost. In some embodiments, the OS selects an inter-processor interrupt (IPI) as the TLB shootdown mechanism if the cost associated with sending an IPI is less than a threshold cost. In some embodiments, the OS compares the cost of using an IPI as the TLB shootdown mechanism versus the cost of sending a hardware broadcast to all processor cores of the processing system as the shootdown mechanism and selects the shootdown mechanism having the lower cost.

42 ENGINEERING↗

DOE OSTI2013

Crystalline Ceramic Waste Forms: Comparison Of Reference Process For Ceramic Waste Form Fabrication

The research conducted in this work package is aimed at taking advantage of the long term thermodynamic stability of crystalline ceramics to create more durable waste forms (as compared to high level waste glass) in order to reduce the reliance on engineered and natural barrier systems. Durable ceramic waste forms that incorporate a wide range of radionuclides have the potential to broaden the available disposal options and to lower the storage and disposal costs associated with advanced fuel cycles. Assemblages of several titanate phases have been successfully demonstrated to incorporate radioactive waste elements, and the multiphase nature of these materials allows them to accommodate variation in the waste composition. Recent work has shown that they can be produced from a melting and crystallization process. The objective of this report is to explore the phase formation and microstructural differences between lab scale melt processing in varying gas environments with alternative densification processes such as Hot Pressing (HP) and Spark Plasma Sintering (SPS). The waste stream used as the basis for the development and testing is a simulant derived from a combination of the projected Cs/Sr separated stream, the Trivalent Actinide - Lanthanide Separation by Phosphorous reagent Extraction from Aqueous Komplexes (TALSPEAK) waste stream consisting of lanthanide fission products, the transition metal fission product waste stream resulting from the transuranic extraction (TRUEX) process, and a high molybdenum concentration with relatively low noble metal concentrations. Melt processing as well as solid state sintering routes SPS and HP demonstrated the formation of the targeted phases; however differences in microstructure and elemental partitioning were observed. In SPS and HP samples, hollandite, pervoskite/pyrochlore, zirconolite, metallic alloy and TiO 2 and Al 2 O 3 were observed distributed in a network of fine grains with small residual pores. The titanate phases that incorporate M +3 rare earth elements were observed to be distinct phases (ex. Nd 2 Ti 2 O 7 with less degree of substitution as compared to the more homogeneous melt processed samples where a high degree of substitution and variation of composition within grains was observed. Liquid phase sintering was enhanced in reducing gas environments and resulted in large (10-200 microns) irregular shaped grains along with large voids associated with the melt process; SPS and HP samples exhibited finer grain size with smaller voids. Metallic alloys were observed in the bulk of the sample for SPS and HP samples, but were found at the bottom of the crucible in melt processed trials. These results indicate that for a first melter trial, the targeted phases can be formed in air by utilizing Ti/TiO 2 additives which aid phase formation and improve the electrical conductivity. Ultimately, a melter run in reducing gas environments would be beneficial to study differences in phase formation and elemental partitioning.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Decoupling the role of stress and corrosion in the intergranular cracking of noble-metal alloys

Intergranular stress-corrosion cracking (IGSCC) is a form of environmentally induced crack propagation causing premature failure of elemental metals and alloys. It is believed to require the simultaneous presence of tensile stress and corrosion; however, the exact nature of this synergy has eluded experimental identification. For noble metal alloys such as Ag–Au, IGSCC is a consequence of dealloying corrosion, forming a nanoporous gold layer that is believed to have the ability to transmit cracks into grain boundaries in un-dealloyed parent phase via a pure mechanical process. Here using atomic-scale techniques and statistical characterizations for this alloy system, we show that the separate roles of stress and anodic dissolution can be decoupled and that the apparent synergy exists owing to rapid time-dependent morphology changes at the dealloyed layer/parent phase interface. We discuss the applicability of our findings to the IGSCC of important engineering Fe- and Ni-based alloys in critical applications.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Smart connected worker edge platform for smart manufacturing: Part 1—Architecture and platform design

Abstract The challenge of sustainably producing goods and services for healthy living on a healthy planet requires simultaneous consideration of economic, societal, and environmental dimensions in manufacturing. Enabling technology for data driven manufacturing paradigms like Smart Manufacturing (a.k.a. Industry 4.0) serve as the technological backbone from which sustainable approaches to manufacturing can be implemented. Unfortunately, these technologies are typically associated with broader and deeper factory automation that is often too expensive and complex for the small and medium sized manufacturers (SMMs) that comprise the majority of manufacturing business in the USA and for whom their most valuable asset are the people whose jobs automation while replace. This paper describes an edge intelligent platform to integrate internet‐of‐things technologies with computing hardware, software, computational workflows for machine learning, and data ingestion, enabling SMMs to transition into smart manufacturing paradigms by leveraging the intelligence of their people. The platform leverages consumer grade electronics and sensors (affordable and portable), customized software with open source software packages (accessible), and existing communication network infrastructures (scalable). The software systems are implemented via Kubernetes orchestration of Docker containerization to ensure scalability and programmability. The platform is adaptive via computational workflow engines that produce information from data by processing with low‐cost edge computing devices while efficiently accessing resources of cloud servers as needed. The proposed edge platform connects workers to technological resources that provide computational intelligence (i.e., silicon‐based sensing and computation for data collection and contextualization) to enable decision making at the edge of advanced manufacturing.

Kim, Yoon G.↗

DOE OSTI2017

Coupled THMC models for bentonite in an argillite repository for nuclear waste: Illitization and its effect on swelling stress under high temperature

Subsurface manipulations such as those expected from the disposal of heat-emanating radioactive waste in deep repositories can induce strongly coupled Thermal (T), hydrological (H), mechanical (M) and chemical (C) processes. Adequate coupled THMC models are highly desirable or even indispensable for performance assessment of such repositories, for examples for the analysis of bentonite-based engineered barrier system (EBS) surrounding the emplaced waste. In this study, we present coupled THMC model simulations of a generic nuclear waste repository in an argillite with a bentonite-based buffer. The objective is to evaluate the chemical changes in the EBS bentonite and their effect on mechanical behavior under high temperature, attempting to shed light on whether EBS bentonite can sustain temperatures higher than 100 °C without significant impact on barrier's performance. Two scenarios were simulated for comparison: a case in which the temperature near the waste canister peaks at 200 °C and a case in which the temperature at the same spot culminate with about 100 °C. Simulations for a generic case with Kunigel-VI bentonite as backfill and Opalinus Clay as host rock were conducted for 1000 years and reported in the previous study (Zheng et al., 2015). In this paper, simulations for 100,000 years have been done for two types of bentonite-based buffer materials: Kunigel-VI and FEBEX bentonite. This enables us to evaluate how different types of bentonite behave in terms of the illitization and its impact on swelling stress and whether we can generalize these results to support decision making. The simulations show the occurrence of illitization in the bentonite buffer and the enhancement of illitization under high temperature. However, FEBEX bentonite undergoes less illitization mainly due to the higher ion concentration in pore water and the lower content of K-feldspar in the bentonite mineral composition. Moreover, the reduction of swelling stress by chemical changes is more pronounced for Kunigel-VI bentonite than for FEBEX bentonite. Furthermore, the results of our model simulations suggest that an argillite repository with a bentonite-based EBS that is similar to FEBEX bentonite could sustain temperatures much higher than 100 °C as far as illitization concerns. Model results also reveal that illitization is stabilized after about 2000 years in bentonite near the waste package, but continues in bentonite near the bentonite-argillite interface, which manifests the strong effect of geochemical interaction between EBS bentonite and host rock on long term illitization in bentonite.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

Lead Toxicity to the Performance, Viability, And Community Composition of Activated Sludge Microorganisms

Lead (Pb) is a prominent toxic metal in natural and engineered systems. Current knowledge on Pb toxicity to the activated sludge has been limited to short-term (<= 24 h) toxicity. The effect of extended Pb exposure on process performance, bacterial viability, and community compositions remains unknown. We quantified the 24-h and 7-day Pb toxicity to chemical oxygen demand (COD) and NH3-N removal, bacterial viability, and community compositions using lab-scale experiments. Our results showed that 7-day toxicity was significantly higher than the short-term 24-h toxicity. Ammonia-oxidizing bacteria were more susceptible than the heterotrophs to Pb toxicity. The specific oxygen uptake rate responded quickly to Pb addition and could serve as a rapid indicator for detecting Pb pollutions. Microbial viability decreased linearly with the amount of added Pb at extended exposure. The bacterial community diversity was markedly reduced with elevated Pb concentrations. Surface analysis suggested that the adsorbed form of Pb could have contributed to its toxicity along with the dissolved form. Our study provides for the first time a systematic investigation of the effect of extended exposure of Pb on the performance and microbiology of aerobic treatment processes, and it indicates that long-term Pb toxicity has been underappreciated by previous studies.

Yuan, L↗

DOE OSTI2023

Diverse electron carriers drive syntrophic interactions in an enriched anaerobic acetate-oxidizing consortium

Abstract In many anoxic environments, syntrophic acetate oxidation (SAO) is a key pathway mediating the conversion of acetate into methane through obligate cross-feeding interactions between SAO bacteria (SAOB) and methanogenic archaea. The SAO pathway is particularly important in engineered environments such as anaerobic digestion (AD) systems operating at thermophilic temperatures and/or with high ammonia. Despite the widespread importance of SAOB to the stability of the AD process, little is known about their in situ physiologies due to typically low biomass yields and resistance to isolation. Here, we performed a long-term (300-day) continuous enrichment of a thermophilic (55 °C) SAO community from a municipal AD system using acetate as the sole carbon source. Over 80% of the enriched bioreactor metagenome belonged to a three-member consortium, including an acetate-oxidizing bacterium affiliated with DTU068 encoding for carbon dioxide, hydrogen, and formate production, along with two methanogenic archaea affiliated with Methanothermobacter_A. Stable isotope probing was coupled with metaproteogenomics to quantify carbon flux into each community member during acetate conversion and inform metabolic reconstruction and genome-scale modeling. This effort revealed that the two Methanothermobacter_A species differed in their preferred electron donors, with one possessing the ability to grow on formate and the other only consuming hydrogen. A thermodynamic analysis suggested that the presence of the formate-consuming methanogen broadened the environmental conditions where ATP production from SAO was favorable. Collectively, these results highlight how flexibility in electron partitioning during SAO likely governs community structure and fitness through thermodynamic-driven mutualism, shedding valuable insights into the metabolic underpinnings of this key functional group within methanogenic ecosystems.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

Bayesian Treed Calibration: An Application to Carbon Capture With AX Sorbent

In cases where field or experimental measurements are not available, computer models can model real physical or engineering systems to reproduce their outcomes. They are usually calibrated in light of experimental data to create a better representation of the real system. Statistical methods, based on Gaussian processes, for calibration and prediction have been especially important when the computer models are expensive and experimental data limited. In this paper, we develop the Bayesian treed calibration (BTC) as an extension of standard Gaussian process calibration methods to deal with non-stationarity computer models and/or their discrepancy from the field (or experimental) data. Our proposed method partitions both the calibration and observable input space, based on a binary tree partitioning, into sub-regions where existing model calibration methods can be applied to connect a computer model with the real system. The estimation of the parameters in the proposed model is carried out using Markov chain Monte Carlo (MCMC) computational techniques. Different strategies have been applied to improve mixing. We illustrate our method in two artificial examples and a real application that concerns the capture of carbon dioxide with AX amine based sorbents. The source code and the examples analyzed in this paper are available as part of the supplementary materials.

Bayesian tree↗

DOE OSTI2023

Reinforcement Learning for Intentional Islanding in Resilient Power Transmission Systems

Intentional islanding is the process of identifying and deliberately decomposing the transmission network to form self-sustained islands from an endangered network during disruptions to improve resilience and security. Most existing intentional islanding models are offline resilience decision tools and hence do not provide outage responses in a timely manner. In this paper, a reinforcement learning (RL) based model for intentional islanding is developed, which offers real-time switching control, online deployability, and adaptability to varying system conditions. The intentional islanding process is formulated as a Markov decision process, where the optimal transmission switching policy is learned using the RL approach. The control policy is learned over an environment that encompasses a Power System Simulator for Engineering (PSS/E) model of the transmission network, facilitated by an interface to the standard openAI Gym framework. The proposed RL-based methodology aims to form stable and self-sustainable islands by ensuring voltage stability while reducing the power mismatch in the formed islands. A proximal policy optimization algorithm is designed, which is suitable for controlling the on/off status of the switches with multi-layer perceptron as value and actor networks. The effectiveness of the proposed framework in the self-recovery of the grid by island formation is applied on the modified IEEE 39-bus test network and validated by dynamic simulations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

CSPlib

This computational singular perturbation library (CSPlib) software is useful for analysis of chemical kinetic systems. The code is used to analyze and describe the dynamical landscape underlying the time evolution of a chemical system. Given a database of state vectors, it allows the analysis of the source term and Jacobian matrix of the chemical system, the identification and decoupling of fast and slow processes, and the analysis of cause-and-effect relationships in the coupled system dynamics. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-2391 O

Najm, HabibN.↗

DOE OSTI2017

Production of hydrogen driven from biomass waste to power Remote areas away from the electric grid utilizing fuel cells and internal combustion engines vehicles

Recent concerns over the security and reliability of the world’s energy supply has caused a flux towards the research and development of renewable sources. A leading renewable source has been found in the biomass gasification of biological materials derived from organic matters such as wood chips, forest debris, and farm waste that are found in abundance in the USA. Accordingly, there is a very strong interest worldwide in the development of new technologies that provide an in-depth understanding of this economically viable energy source. This work aims to allow the coupling of biomass gasification and fuel cell systems as well as Internal Combustion Engines (ICE) to produce high-energy efficiency, clean environmental performance and near-zero greenhouse gas emissions. Biomass gasification is a process, which produces synthesis gas (syngas) that contains 19% hydrogen and 20% carbon monoxide from inexpensive organic matter waste. This project main goal is to provide cost effective energy to the public utilizing remote farms’ waste and landfill recycling area.

08 HYDROGEN↗