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At least 19 records

Virtual Special Issue on Catalysis at the U.S. Department of Energy’s National Laboratories

Catalysis research at the U.S. Department of Energy's (DOE's) National Laboratories covers a wide range of research topics in heterogeneous catalysis, homogeneous/molecular catalysis, biocatalysis, electrocatalysis, and surface science. Since much of the work at National Laboratories is funded by DOE, the research is largely focused on addressing DOE's mission to ensure America's security and prosperity by addressing its energy, environmental, and nuclear challenges through transformative science and technology solutions. The catalysis research carried out at the DOE National Laboratories ranges from very fundamental catalysis science, funded by DOE's Office of Basic Energy Sciences (BES), to applied research and development (R&D) in areas such as biomass conversion to fuels and chemicals, fuel cells, and vehicle emission control with primary funding from DOE's Office of Energy Efficiency and Renewable Energy.

09 BIOMASS FUELS↗

Abstract for CRADA among National Energy Technology Laboratory, Research Triangle Institute, Lawrence Livermore National Laboratory, and Los Alamos National Laboratory (AGMT-0921)

Through the Carbon Capture Simulation for Industry Impact (CCSI 2 ) project, the National Energy Technology Laboratory (NETL), Lawrence Livermore National Laboratory (LLNL), and Los Alamos National Laboratory (LANL) (herein collectively “the CCSI 2 team”) will collaborate through a CRADA with the Research Triangle Institute (RTI). This collaboration will develop a modeling framework of RTI’s Non-Aqueous Solvent (NAS) process using physical and thermodynamic data and models previously developed by RTI. RTI will provide existing models and data on its NAS system to inform the model construction effort by the CCSI 2 team.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impact of different cleaning processes on the laser damage threshold of antireflection coatings for Z-Backlighter optics at Sandia National Laboratories

We have examined how different cleaning processes affect the laser-induced damage threshold of antireflection coatings for large dimension, Z-Backlighter laser optics at Sandia National Laboratories. Laser damage thresholds were measured after the coatings were created, and again 4 months later to determine which cleaning processes were most effective. There is a nearly twofold increase in laser-induced damage threshold between the antireflection coatings that were cleaned and those that were not cleaned. Aging of the coatings after 4 months resulted in even higher laser-induced damage thresholds. Also, the laser-induced damage threshold results revealed that every antireflection coating had a high defect density, despite the cleaning process used, which indicates that improvements to either the cleaning or deposition processes should provide even higher laser-induced damage thresholds.

36 MATERIALS SCIENCE↗

Abstract for CRADA between the National Energy Technology Laboratory, Ohio State University, Lawrence Berkeley National Laboratory, and Sandia National Laboratories (AGMT-0804)

This CRADA will enable cooperation between Ohio State University (OSU) and a collective led by the National Energy Technology Laboratory (NETL), with the goal of facilitating the accelerated commercialization of OSU’s iron-based chemical looping process through advanced modeling and state-of-the-art optimization techniques. OSU will provide data for model development and validation, while NETL and collaborators through the Institute for the Design of Advanced Energy Systems (IDAES) will develop advanced high-fidelity optimization-based system models. The project will use data collected primarily from OSU’s bench scale and sub pilot scale facilities and will be supplemented by data collected from the open literature. Models representative of chemical looping combustion or gasification using either coal or natural gas as fuel are considered in scope. Specific tasks will include 1) development of physical property sub-models, 2) development of steady-state and dynamic 1 st principles models of the novel gas solid contactor technologies being developed by OSU, and 3) superstructure and parametric optimization of a full chemical looping process by leveraging the large-scale optimization capabilities being developed by IDAES. This collaboration will provide a greater fundamental understanding of the OSU chemical looping process, will help to improve the overall process economics, and will thus enable a greater probability of commercial success. It will provide IDAES with the opportunity to validate, demonstrate, and further develop its toolset through a real-world practical demonstration.

01 COAL, LIGNITE, AND PEAT↗

Laboratory on the Moon: Equipping and Testing of a Habitat Laboratory for the Scientific Exploration of the Moon by Humans

A human habitat on the Moon is predestined to house a laboratory, especially if it is built for scientific missions on the Moon. This laboratory could be used for (1) conducting experiments utilizing the lunar gravity and prepare experiments to be placed outside the laboratory in the lunar environment, (2) conducting analyses of lunar rock and regolith in high volume, and (3) performing preliminary analyses and screening of samples to be sent to Earth for more detailed, specialized analysis. In the past, spaceflight missions have often been implemented by adding scientific instruments after most of the engineering work is already finished, limiting scientific studies to relatively scattered, insular topics. However, if prepared appropriately, a research laboratory on the Moon can help address scientific questions thoroughly and at a fundamental level. Moreover, the challenge of creating a viable habitat is not only an engineering one, but one that requires input from architects, designers, and psychologists. After all, the crew not only works inside the habitat laboratory, but they spend (close to) their entire time on the Moon inside the habitat and under the isolation and confinement that comes with it. We combine science, engineering, and architecture to create a habitat laboratory that meets their conflicting requirements: The laboratory of the Moon and Mars Base Analog (MaMBA) has been designed with inputs from (1) scientists of selected disciplines, particularly geology, materials science, chemistry, biology, and medicine, (2) space architects specializing on extraterrestrial bases, and (3) engineers for the constraints imposed by the lunar environment. The MaMBA laboratory was built in 2019 into the mock-up of the first MaMBA module (out of six). Subsequently, the laboratory was tested by volunteer scientists for its usability. The scientists used the laboratory for work deemed representative of lunar scientific analyses; the complete test runs lasted one week each, with one test run in June 2019 and the second test run in late September 2019 following some modifications suggested by the scientists. Here, we will present an overview of the scientific topics that we think should be addressed on the Moon, together with a suggestion of scientific instrumentation that would be helpful for such investigations. Moreover, we present the MaMBA laboratory, equipped with the proposed instrumentation, and the outcomes of the test runs with a particular focus on the lessons learned regarding the equipping of the laboratory.

Christiane Heinicke↗

Laboratories for the 21st Century Best Practices: Energy Recovery in Laboratory Facilities

Laboratories typically require 100% outside air for ventilation at higher rates than other commercial buildings. Minimum ventilation is typically provided at air change per hour (ACH) rates in accordance with codes and adopted design standards including Occupational Safety and Health Administration (OSHA) Standard 1910.1450 (4 to 12 ACH – non-mandatory) or the 2011 American Society of Heating, Refrigerating and Air Conditioning Engineers (ASHRAE) Applications Handbook, Chapter 16 – Laboratories (6 to 12 ACH). While OSHA states this minimum ventilation rate “should not be relied on for protection from toxic substances released into the laboratory” it specifically indicates that it is intended to “provide a source of air for breathing and for input to local ventilation devices (e.g., chemical fume hoods or exhausted bio-safety cabinets), to ensure that laboratory air is continually replaced preventing the increase of air concentrations of toxic substances during the working day, direct air flow into the laboratory from non-laboratory areas and out to the exterior of the building.” The heating and cooling energy needed to condition and move this outside air can be 5 to 10 times greater than the amount of energy used in most office buildings. In addition, when the required ventilation rate exceeds the airflow needed to meet the cooling load in low-load laboratories, additional heating energy may be expended to reheat dehumidified supply air from the supply air condition to prevent over cooling. In addition to these low-load laboratories, reheat may also be required in adjacent spaces such as corridors that pro-vide makeup air to replace air being pulled into negative-pressure laboratories.

Laboratories, Best Practices, Energy, Facilities↗

A shallow underground laboratory for low-background radiation measurements and materials development

Pacific Northwest National Laboratory recently commissioned a new shallow underground laboratory, located at a depth of approximately 30 meters-water-equivalent. This new addition to the small class of radiation measurement laboratories located at modest underground depths houses the latest generation of custom-made, high-efficiency, low-background gamma-ray spectrometers and gas proportional counters. This paper describes the unique capabilities present in the shallow underground laboratory; these include large-scale ultra-pure materials production and a suite of radiation detection systems. Reported data characterize the degree of background reduction achieved through a combination of underground location, graded shielding, and rejection of cosmic-ray events. We conclude by presenting measurement targets and future opportunities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Coupled laboratory and field investigations resolve microbial interactions that underpin persistence in hydraulically fractured shales

Hydraulic fracturing is one of the industrial processes behind the surging natural gas output in the United States. This technology inadvertently creates an engineered microbial ecosystem thousands of meters below Earth’s surface. Here, we used laboratory reactors to perform manipulations of persisting shale microbial communities that are currently not feasible in field scenarios. Metaproteomic and metabolite findings from the laboratory were then corroborated using regression based modeling performed on metagenomic and metabolite data from more than 40 produced fluids from five hydraulically fractured shale wells. Collectively, our findings show that Halanaerobium, Geotoga, and Methanohalophilius strain abundances predict a significant fraction of nitrogen and carbon metabolites in the field. Our laboratory findings also exposed cryptic predatory, cooperative, and competitive interactions that impact microorganisms across fractured shales. Scaling these results from the laboratory to the field identified mechanisms underpinning biogeochemical reactions, yielding knowledge that can be harnessed to potentially increase energy yields and inform management practices in hydraulically fractured shales.

hydraulic fracturing, metaproteomics, methanogenes↗

Laboratory Spectroscopy of Large Carbon Molecules and Ions in Support of Space Missions. A New Generation of Laboratory & Space Studies

Polycyclic Aromatic Hydrocarbons (PAHs) are an important and ubiquitous component of carbon-bearing materials in space. A long-standing and major challenge for laboratory astrophysics has been to measure the spectra of large carbon molecules in laboratory environments that mimic (in a realistic way) the physical conditions that are associated with the interstellar emission and absorption regions [1]. This objective has been identified as one of the critical Laboratory Astrophysics objectives to optimize the data return from space missions [2]. An extensive laboratory program has been developed to assess the properties of PAHs in such environments and to describe how they influence the radiation and energy balance in space. We present and discuss the gas-phase electronic absorption spectra of neutral and ionized PAHs measured in the UV-Visible-NIR range in astrophysically relevant environments and discuss the implications for astrophysics [1]. The harsh physical conditions of the interstellar medium characterized by a low temperature, an absence of collisions and strong VUV radiation fields - have been simulated in the laboratory by associating a pulsed cavity ringdown spectrometer (CRDS) with a supersonic slit jet seeded with PAHs and an ionizing, penning-type, electronic discharge. We have measured for the {\it first time} the spectra of a series of neutral [3,4] and ionized [5,6] interstellar PAHs analogs in the laboratory. An effort has also been attempted to quantify the mechanisms of ion and carbon nanoparticles production in the free jet expansion and to model our simulation of the diffuse interstellar medium in the laboratory [7]. These experiments provide {\it unique} information on the spectra of free, large carbon-containing molecules and ions in the gas phase. We are now, for the first time, in the position to directly compare laboratory spectral data on free, cold, PAH ions and carbon nano-sized carbon particles with astronomical observations in the UV-NIR range (interstellar UV extinction, DIBs in the NUV-NIR range). This new phase offers tremendous opportunities for the data analysis of current and upcoming space missions geared toward the detection of large aromatic systems Le., the "new frontier space missions" (Spitzer, HST, COS, JWST, SOFIA,...).

Salama, Farid↗

Characterization techniques for TRU waste from the Analytical Laboratory Hot Cells at Idaho National Laboratory

Characterization techniques for TRU waste from the Analytical Laboratory Hot Cells at Idaho National Laboratory Since the first reactor went hot in 1942, there has been a never ending desire to improve the nuclear reactor and the fuel that it burns. The Idaho National Laboratory has been a key player in reactor and fuel development. As more research projects begin, the spectrum of waste parameters grows. Over the years, the Analytical Laboratory (AL) at the Materials and Fuels Complex (MFC) at Idaho National Laboratory (INL) has supported a large range of various research projects. Each project brings its own challenge and analytical technique that, in turn, yields its own unique waste parameters. The AL Hot Cells at INL consist of 6 small cells that can support around 12 different fuel research projects at a time along with infrastructure and environmental samples. Each different project yields different levels of transuranic (TRU) material, RCRA constituents, dose, and contamination levels. The waste parameters from each project dictate a path forward for the waste Low-Level Waste (LLW), Contact Handled TRU (CH-TRU), Mixed Contact Handled TRU (M-CH-TRU), Remote Handled TRU (RH-TRU), or Mixed Remote Handled TRU (M-RH-TRU). With visual examination techniques and process knowledge as an aid, there have been waste handling methods developed that allow debris and sample material to be segregated. Unique characterization mechanisms have been applied for each debris and sample material that are generally more accurate than smear and surface contamination data. For debris found in the Hot Cells, analytical data is gathered and conservatively summarized for each fuel type and research method. This consists of data from Quadrupole Inductively Coupled Plasma Mass Spectrometry (Q-ICP-MS), Gamma Spectroscopy, and some data verification through Thermal Ionization Mass Spectrometry (TIMS) and Multi-Collector Inductively Coupled Plasma Mass Spectrometry (MC-ICP-MS). This data gives a range of TRU isotope concentrations. Fuel age is taken into account to determine the dominant TRU activity isotopes. Cesium concentrations are also gathered. Each parameter/fuel type then ties a measured Cesium number to TRU content based on historical analytical data. Debris in the hot cells is segregated by project and packaged in individual 2 gallon metal paint cans. Each can is counted by gamma spectroscopy in a calculated and measured geometry. Using process knowledge to determine the fuel or project type, newly counted cesium numbers can be applied to the historic analytical data and TRU content can be estimated. The TRU content allows waste debris to be segregated between CH-TRU and RH-TRU. Packaging techniques can allow for the minimization if RH-TRU waste. Sample material received into the AL must be dissolved into a liquid matrix in order to be analyzed in most cases. When analysis is complete, these liquids go through a consolidation, complexation, neutralization, and solidification process where real time analytical data can be used to calculate TRU content and RCRA constitutes. These calculations allow for no further analytical data to be gathered. The waste matrix is considered stable and acceptable by all AK [define AK] documents. The unique techniques used in characterizing and handling the Analytical Laboratories Hot Cell waste can be applied to various situations and various laboratories. They allow for more accurate data for waste constituents and also for the minimization of RH-TRU waste.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Lawrence Livermore National Laboratory Laboratory Directed Research and Development FY2011 Annual Report

A premier applied-science laboratory, Lawrence Livermore National Laboratory (LLNL) has earned the reputation as a leader in providing science and technology solutions to the most pressing national and global security problems. The LDRD Program, established by Congress at all DOE national laboratories in 1991, is LLNL's most important single resource for fostering excellent science and technology for today's needs and tomorrow's challenges. The LDRD internally directed research and development funding at LLNL enables high-risk, potentially high-payoff projects at the forefront of science and technology. The LDRD Program at Livermore serves to: (1) Support the Laboratory's missions, strategic plan, and foundational science; (2) Maintain the Laboratory's science and technology vitality; (3) Promote recruiting and retention; (4) Pursue collaborations; (5) Generate intellectual property; and (6) Strengthen the U.S. economy. Myriad LDRD projects over the years have made important contributions to every facet of the Laboratory's mission and strategic plan, including its commitment to nuclear, global, and energy and environmental security, as well as cutting-edge science and technology and engineering in high-energy-density matter, high-performance computing and simulation, materials and chemistry at the extremes, information systems, measurements and experimental science, and energy manipulation. A summary of each project was submitted by the principal investigator. Project summaries include the scope, motivation, goals, relevance to DOE/NNSA and LLNL mission areas, the technical progress achieved in FY11, and a list of publications that resulted from the research. The projects are: (1) Nuclear Threat Reduction; (2) Biosecurity; (3) High-Performance Computing and Simulation; (4) Intelligence; (5) Cybersecurity; (6) Energy Security; (7) Carbon Capture; (8) Material Properties, Theory, and Design; (9) Radiochemistry; (10) High-Energy-Density Science; (11) Laser Inertial-Fusion Energy; (12) Advanced Laser Optical Systems and Applications; (12) Space Security; (13) Stockpile Stewardship Science; (14) National Security; (15) Alternative Energy; and (16) Climatic Change.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

I.3.4.1.1 Overview of Advanced Characterization Within the Powertrain Materials Program (Task 4A1) (Oak Ridge National Laboratory); (Task 4A2) (Argonne National Laboratory); and (Task 4A3) (Pacific Northwest National Laboratory)

This report describes the activities performed during the third year of Thrust 4A, “Advanced Characterization,” within the DOE-EERE VTO PMCP. The goal of the PMCP, which was launched in October 2018, has been to accelerate design, development, demonstration, and deployment of new, cost-effective advanced alloy solutions via a modern ICME approach. The properties of these new materials are targeted to enable improvements in engine efficiency, lightweighting, and durability enhancement over the full range of on-road vehicle classes (e.g., Classes 1-8), including range extenders for future electric HD freight vehicles.

33 ADVANCED PROPULSION SYSTEMS↗

Predicting the performance uncertainty of a 1-MW pilot-scale carbon capture system after hierarchical laboratory-scale calibration and validation

A challenging problem in designing pilot-scale carbon capture systems is to predict, with uncertainty, the adsorber performance and capture efficiency under various operating conditions where no direct experimental data exist. Motivated by this challenge, we previously proposed a hierarchical framework in which relevant parameters of physical models were sequentially calibrated from different laboratory-scale carbon capture unit (C2U) experiments. Specifically, three models of increasing complexity were identified based on the fundamental physical and chemical processes of the sorbent-based carbon capture technology. Results from the corresponding laboratory experiments were used to statistically calibrate the physical model parameters while quantifying some of their inherent uncertainty. The parameter distributions obtained from laboratory-scale C2U calibration runs are used in this study to facilitate prediction at a larger scale where no corresponding experimental results are available. In this paper, we first describe the multiphase reactive flow model for a sorbent-based 1-MW carbon capture system then analyze results from an ensemble of simulations with the upscaled model. The simulation results are used to quantify uncertainty regarding the design’s predicted efficiency in carbon capture. In particular, we determine the minimum gas flow rate necessary to achieve 90% capture efficiency with 95% confidence.

bubbling bed↗

A laboratory nanoseismological study on deep-focus earthquake micromechanics

Global earthquake occurring rate displays an exponential decay down to ~300 km and then peaks around 550 to 600 km before terminating abruptly near 700 km. How fractures initiate, nucleate, and propagate at these depths remains one of the greatest puzzles in earth science, as increasing pressure inhibits fracture propagation. We report nanoseismological analysis on high-resolution acoustic emission (AE) records obtained during ruptures triggered by partial transformation from olivine to spinel in Mg 2 GeO 4 , an analog to the dominant mineral (Mg,Fe) 2 SiO 4 olivine in the upper mantle, using state-of-the-art seismological techniques, in the laboratory. AEs’ focal mechanisms, as well as their distribution in both space and time during deformation, are carefully analyzed. Microstructure analysis shows that AEs are produced by the dynamic propagation of shear bands consisting of nanograined spinel. These nanoshear bands have a near constant thickness (~100 nm) but varying lengths and self-organize during deformation. This precursory seismic process leads to ultimate macroscopic failure of the samples. Several source parameters of AE events were extracted from the recorded waveforms, allowing close tracking of event initiation, clustering, and propagation throughout the deformation/transformation process. AEs follow the Gutenberg-Richter statistics with a well-defined b value of 1.5 over three orders of moment magnitudes, suggesting that laboratory failure processes are self-affine. The seismic relation between magnitude and rupture area correctly predicts AE magnitude at millimeter scales. A rupture propagation model based on strain localization theory is proposed. Future numerical analyses may help resolve scaling issues between laboratory AE events and deep-focus earthquakes.

58 GEOSCIENCES↗

Ames National Laboratory, Laboratory Directed Research and Development Program: FY2022 Annual Summary

Laboratory Directed Research & Development (LDRD) projects at Ames National Laboratory are compelling, collaborative, and mission-oriented research that accelerate progress in our strategic directions. The aim of these projects is to strengthen Ames National Laboratory’s emerging scientific leaders and core capabilities, to further enhance our scientific and technological vitality by stimulating R&D innovation in support of the Laboratory’s foundational strengths and strategic initiatives, and to build capabilities to respond to rapidly emerging R&D opportunities of clear potential benefit to DOE’s mission. LDRD funding strengthens our core capabilities either by exploiting targets of opportunity in expanding current capabilities, or by exploring and implementing new capabilities that provide scientific advantages and position Ames National Laboratory to be a leader in existing and emerging scientific fields. For FY2022, the Ames National Laboratory LDRD focused on transformative science to accelerate progress in our strategic directions, especially the initiatives discussed below. Of particular interest are areas that span multiple disciplines, or that develop new technical capabilities that enhance our ability to address our strategic directions.

36 MATERIALS SCIENCE↗