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At least 703 records · Page 39

Scalable synthesis of nanoporous atomically thin graphene membranes for dialysis and molecular separations via facile isopropanol-assisted hot lamination

Scalable graphene synthesis and facile large-area membrane fabrication are imperative to advance nanoporous atomically thin membranes (NATMs) for molecular separations. Although chemical vapor deposition (CVD) allows for roll-to-roll high-quality monolayer graphene synthesis, facile transfer with atomically clean interfaces to porous supports for large-area NATM fabrication remains extremely challenging. Sacrificial polymer scaffolds commonly used for graphene transfer typically leave polymer residues detrimental to membrane performance and transfers without polymer scaffolds suffer from low yield resulting in high non-selective leakage through NATMs. In this study, we systematically study the factors influencing graphene NATM fabrication and report on a novel roll-to-roll manufacturing compatible isopropanol-assisted hot lamination (IHL) process that enables scalable, facile and clean transfer of CVD graphene on to polycarbonate track etched (PCTE) supports with coverage ≥99.2%, while preserving support integrity/porosity. We demonstrate fully functional centimeter-scale graphene NATMs that show record high permeances (~2–3 orders of magnitude higher) and better selectivity than commercially available state-of-the-art polymeric dialysis membranes, specifically in the 0–1000 Da range. Our work highlights a scalable approach to fabricate graphene NATMs for practical applications and is fully compatible with roll-to-roll manufacturing processes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Quiet Clean Short-Haul Experimental Engine (QCSEE): Acoustic treatment development and design

Acoustic treatment designs for the quiet clean short-haul experimental engines are defined. The procedures used in the development of each noise-source suppressor device are presented and discussed in detail. A complete description of all treatment concepts considered and the test facilities utilized in obtaining background data used in treatment development are also described. Additional supporting investigations that are complementary to the treatment development work are presented. The expected suppression results for each treatment configuration are given in terms of delta SPL versus frequency and in terms of delta PNdB.

Clemons, A.↗

Cost and Throughput Analysis for the NASA Ames Arc Jet Modernization Program

NASA Ames Center is currently evaluating alternatives to modernize the Arc Jet Complex, a critical part of testing for NASA’s planetary missions. NASA’s Arc Jet Complex facilities “are used to simulate the aerothermodynamic heating that a spacecraft endures throughout hypersonic atmospheric entry, and to test candidate thermal protection system (TPS) materials and systems. “Because planetary mission schedules often have tight windows due to planetary alignment constraints, a small increase in schedule could result in a two-year delay. Such a delay could increase the cost of a $1billionmissionbyhundreds of millions of dollars due to project personnel pay and clean room storage. To avoid these costs, the authors support NASA Ames in evaluating return on investment (ROI) and effectiveness of alternatives for modernizing the complex. The first input into the ROI is the deconstruction and construction cost estimates, which are developed using independent research on highly specialized subsystems, vendor quotes, and Unified Facilities Criteria (UFC), depending on the facility and work package. One of the measures of effectiveness is throughput analysis of the test bays, as a main goal of the modernization is to increase the number of possible test runs per year. This analysis is conducted via a probabilistic simulation and accounts for a variety of stochastic factors that influence the sequence of test runs, such as the facility availability; test complexity; the need to pause to assess test results; test failure; and the possibility of a system failure. The methodologies for both these analyses are discussed, along with the challenges presented due to the unique nature of the highly specialized test equipment.

Jennifer Scheel↗

Instruments for Imaging from Far to Near

The acronym CHAMP (signifying camera, hand lens, and microscope ) denotes any of several proposed optoelectronic instruments that would be capable of color imaging at working distances that could be varied continuously through a range from infinity down to several millimeters. As in any optical instrument, the magnification, depth of field, and spatial resolution would vary with the working distance. For example, in one CHAMP version, at a working distance of 2.5 m, the instrument would function as an electronic camera with a magnification of 1/100, whereas at a working distance of 7 mm, the instrument would function as a microscope/electronic camera with a magnification of 4.4. Moreover, as described below, when operating at or near the shortest-working-distance/highest-magnification combination, a CHAMP could be made to perform one or more spectral imaging functions. CHAMPs were originally intended to be used in robotic geological exploration of the Moon and Mars. The CHAMP concept also has potential for diverse terrestrial applications that could include remotely controlled or robotic geological exploration, prospecting, field microbiology, environmental surveying, and assembly- line inspection. A CHAMP (see figure) would include two lens cells: (1) a distal cell corresponding to the objective lens assembly of a conventional telescope or microscope and (2) a proximal cell that would contain the focusing camera lens assembly and the camera electronic image-detector chip, which would be of the active-pixel-sensor (APS) type. The distal lens cell would face outward from a housing, while the proximal lens cell would lie in a clean environment inside the housing. The proximal lens cell would contain a beam splitter that would enable simultaneous use of the imaging optics (that is, proximal and distal lens assemblies) for imaging and illumination of the field of view. The APS chip would be mounted on a focal plane on a side face of the beam splitter, while light for illuminating the field of view would enter the imaging optics via the end face of the beam splitter. The proximal lens cell would be mounted on a sled that could be translated along the optical axis for focus adjustment. The position of the CHAMP would initially be chosen at the desired working distance of the distal lens from (corresponding to an approximate desired magnification of) an object to be examined. During subsequent operation, the working distance would ordinarily remain fixed at the chosen value and the position of the proximal lens cell within the instrument would be adjusted for focus as needed.

Mungas, Greg↗

Highly efficient, rapid, and concurrent removal of toxic heavy metals by the novel 2D hybrid LDH–[Sn 2 S 6 ]

According to a United Nations report, by 2050 nearly six billion people worldwide will suffer from clean water scarcity. This is mostly because of the exponential proliferation of world population, urbanization, industrialization, and water pollution. Heavy metals are common water pollutants that can pose grave public health consequences. Existing water purification systems are lack of materials that have the potential for quick, simultaneous, efficient, and cost-efficient removal of numerous toxic metals from wastewater. Here, in this work, we report the design and synthesis of an economically viable Layered Double Hydroxides - Stannic Sulfide, LDH–[Sn 2 S 6 ] that exhibits a rapid, efficient, selective, and concurrent removal of Cu 2+ , Ag + , Cd 2+ , Pb 2+ , and Hg 2+ from parts per million (ppm) level to below 5 parts per billion (ppb) satisfying World Health Organization’s (WHO) safe drinking water limit. Moreover, LDH–[Sn 2 S 6 ] shows exceptionally high removal efficiencies of the above metals in acidic, neutral, and basic conditions. LDH–[Sn 2 S 6 ] also demonstrates enormous sorption capacities of 378, 978, 332, 579, and 666 mg/g for Cu 2+ , Ag + , Cd 2+ , Pb 2+ , and Hg 2+ , respectively. Remarkably, LDH–[Sn 2 S 6 ] displays extraordinary tolerance to the concentrations of Na + , Ca 2+ , Mg 2+ , Cl - , CO 3 2– , NO 3 – ,and SO 4 2- , and other constituents in tap and river water, it efficiently sequestrates Cu 2+ , Ag + , Cd 2+ , Pb 2+ , and Hg 2+ from ppm to safe drinking water levels in minutes. LDH–[Sn 2 S 6 ] shows pseudo-second-order sorption kinetics suggesting chemisorption adsorption mechanism involving M–S bonding. Altogether, the regeneratable LDH–[Sn 2 S 6 ] becomes an exceptional material that shows ultrahigh removal, unprecedented selectivity, rapid adsorption kinetics, wide pH stability, and a massive adsorption capacity. The integration of these features places LDH–[Sn 2 S 6 ] at the top of all adsorbents known to date and thus could be used for wastewater purifications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Searching for neutrino self-interactions at future muon colliders

Multi-TeV muon colliders offer a powerful means of accessing new physics coupled to muons while generating clean and intense high-energy neutrino beams via muon decays. We study a fixed-target experiment leveraging the neutrino beams and a forward detector pointing at the interaction point of the muon collider. The sensitivity to neutrino self-interactions is analyzed as a feasibility study, focusing on the leptonic scalar ϕ exclusively coupled to the Standard Model neutrinos. Our work shows that projections from both the main and forward detectors can enhance the existing limits by two orders of magnitude, surpassing other future experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Good, the Bad, and the Ugly: Pseudopotential Inconsistency Errors in Molecular Applications of Density Functional Theory

The pseudopotential (PP) approximation is one of the most common techniques in computational chemistry. Despite its long history, the development of custom PPs has not tracked with the explosion of different density functional approximations (DFAs). As a result, the use of PPs with exchange/correlation models for which they were not developed is widespread, although this practice is known to be theoretically unsound. The extent of PP inconsistency errors (PPIEs) associated with this practice has not been systematically explored across the types of energy differences commonly evaluated in chemical applications. Here, we evaluate PPIEs for a number of PPs and DFAs across 196 chemically relevant systems of both transition-metal and main-group elements, as represented by the W4-11, TMC34, and S22 data sets. Near the complete basis set limit, these PPs are found to cleanly approach all-electron (AE) results for noncovalent interactions but introduce root-mean-squared errors (RMSEs) upwards of 15 kcal mol –1 into predictions of covalent bond energies for a number of popular DFAs. We achieve significant improvements through the use of empirical atom- and DFA-specific PP corrections, indicating considerable systematicity of the PPIEs. The results of this work have implications for chemical modeling in both molecular contexts and for DFA design, which we discuss.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Reducing Energy Use and Making Energy More Efficient in the Native Village of Kiana (Final Technical Report)

The goal of the Remote Alaska Community Energy Efficiency (RACEE) Competition was to advance the implementation of affordable, resilient, and clean energy-efficient solutions for remote Alaska communities. RACEE assisted Kiana with its unique challenges, mostly the remote nature of their location paired with the harsh temperatures and isolated electrical grid resulting in high energy costs. In addition to the assistance from DOE, the Alaska Energy Authority (AEA) provided direct technical assistance to RACEE recipients throughout their projects. Before Kiana started work, AEA conducted energy audits in public buildings and facilities to identify which energy measures would be most effective for the community’s energy goals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Estimating ionization states and continuum lowering from ab initio path integral Monte Carlo simulations for warm dense hydrogen

Warm dense matter (WDM) is an active field of research, with applications ranging from astrophysics to inertial confinement fusion. Ionization degree and continuum lowering are important quantities to understand how materials behave under these conditions, but can be difficult to diagnose since experimental campaigns are limited and often require model-dependent analysis. This is especially true for hydrogen, which has a comparably low scattering cross section, making high-quality data particularly difficult to obtain. Consequently, building equation of state tables often relies on simulations in combination with untested approximations to extract properties from experiments. Here, we investigate an approach for extracting the ionization potential depression and ionization degree—quantities which are otherwise not directly accessible from the physical model—from first-principles path integral Monte Carlo (PIMC) simulations utilizing a chemical model. In contrast to experimental measurements, where noise and nonequilibrium effects add to the uncertainty of the inferred parameters, PIMC simulations provide a clean signal with well-defined thermodynamic conditions. Comparisons against commonly used models show a qualitative agreement, but we find deviations primarily for the high-density and high-temperature cases. We also demonstrate the decreasing sensitivity of the dynamic structure factor with respect to both ionization and continuum lowering for increasing scattering angles in x-ray Thomson scattering experiments. Our work has important implications for the design of future experiments, but also offers qualitative understanding of structure factors and the imaginary-time correlation function obtained from first-principles quantum Monte Carlo simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Slot antenna SIS mixers for submillimeter wavelengths

We are developing improved versions of a slot antenna SIS mixer which we have previously described. The initial work demonstrated a double sideband noise temperature of 420 K for a 500 GHz quasi-optical SIS mixer employing a twin-slot antenna on a quartz dielectric substrate. A quartz hyperhemispherical lens is used to focus the incoming radiation onto the twin-slot antenna. The advantages of a twin-slot antenna include a low impedance (35 omega) and a clean, symmetric beam pattern into the dielectric with a 70 percent efficiency. In our original mixer, the radiation was coupled from the two slot antennas onto superconducting microstrip lines which fed the SIS junction. By performing an impedance transformation using tapered lines and by feeding the radiation from the two slots to the junction in parallel, the effective (real) impedance seen by the junction was reduced to just 4 omega. This very low impedance allowed a junction area of 2.3 sq micron to be used at 500 GHz, which was manufactured using optical lithography. However, no attempt was made to tune out the junction capacitance. We estimate that this capacitance reduces the impedance coupling efficiency to eta(sub Z) approx. equals 0.23, for our junction with omega R(sub N) C = 5.3 at 500 GHz. The recent development of techniques using electron-beam lithography to manufacture junctions with very small areas (approx. equals 0.1 sq microns) now allows considerably more flexibility in the design of SIS mixer circuits. We have redesigned the slot-antenna mixer to take advantage of this possibility. In particular, we have included a novel circuit which allows the junction capacitance to be tune out over a broad bandwidth. For instance, mixers designed for 800 GHz using NbN/MgO/NbN junctions with realistic parameters achieve a 3 dB impedance bandwidth of nearly 400 GHz. Furthermore, our circuit uses only short lengths of microstrip and should be less sensitive to RF losses than other designs. The improved impedance match should give a large reduction in noise temperature as compared to our previous mixer. The new devices are currently under fabrication. Further details of the design and any available experimental results are discussed.

Zmuidzinas, Jonas↗

Modifications and Modeling of the Fission Surface Power Primary Test Circuit (FSP-PTC)

An actively pumped alkali metal flow circuit, designed and fabricated at the NASA Marshall Space Flight Center, underwent a range of tests at MSFC in early 2007. During this period, system transient responses and the performance of the liquid metal pump were evaluated. In May of2007, the circuit was drained and cleaned to prepare for multiple modifications: the addition of larger upper and lower reservoirs, the installation of an annular linear induction pump (ALIP), and the inclusion of a closeable orifice in the test section. Performance of the ALIP, provided by Idaho National Laboratory (INL), will be evaluated when testing resumes. Data from the first round of testing has been used to refine the working system model, developed using the Generalized Fluid System Simulation Program (GFSSP). This paper covers the modifications of the FSP-PTC and the updated GFSSP system model.

Garber, Anne E.↗

Lessons Learned in Systems Engineering Availability and Recommendations for Mission Technical Leaders

In spaceflight missions at Goddard Space Flight Center (GSFC), the Mission System Engineer (MSE) is the technical leader of the overall engineering team and also is the Independent Engineering Technical Authority. The responsibility of this role includes the definition of the mission design architecture, concept of operations, and mission requirements, management of risk throughout the development, and verification and validation of the final system performance and function amongst other duties. This responsibility inherently requires time management, enabling focus on a balanced development with appropriate risk. Time is the most valuable resource of the MSE. The system engineer’s availability to interact with the development team (often product or component design leads and technicians, often in different worksites) to discover and mitigate mission risks during development is key to mission success. This paper presents examples from Lunar Reconnaissance Orbiter, Landsat 9, and Neutron star Interior Composition ExploreR (NICER) which represent in-house and out-of-house hardware builds. These examples demonstrate how interactions between the Mission Systems Engineers and other project and partner engineers result in discovery of critical risks, leading to early mitigation with significant cost and performance savings. These three missions would have suffered test failures or on-orbit failures had their MSEs not set aside time to visit engineers and technicians that were working on key pieces of space flight hardware. Availability is more than just time; it is openness to listen to concerns and questions. It begins by building a level of trust in the team that it is safe to ask questions or share concerns without the fear of blame or additional workload. It also requires enabling informal conversations (over lunch, coffee, in the clean room, or at the team members desk, etc.) where key information can be exchanged, and team members may even provide an easy-to-implement mitigation idea for another subsystem. Availability is a highly valuable commodity and completely non-obvious to protect and optimize. The natural tendency of engineers is to keep themselves busy with solving problems that they know about. This paper is encouraging MSEs to resist this tendency to try and solve all the complex problems themselves and actively devote daily time to learning and solving problems that are found with informal communications with other team members.

Lessons Learned↗

Hydrogen Production, Grid Integration, and Scaling for the Future

The Hydrogen Production, Grid Integration, and Scaling for the Future project will inform clean hydrogen production deployment across the planning, procurement, and operation stages of hydrogen production on the grid. Hydrogen production from renewables is a clean source of fuel which is near zero for greenhouse gas emissions and criteria pollutants. The results from this project will inform entities looking to build clean energy projects that produce good paying jobs in manufacturing, installation, maintenance and operation of these facilities. This project provides system characterization examples, multiple configurations, optimizations, and suggested metering and custody transfer points through multiple scenarios and hardware testing of NREL's state-of-the-art 1.25 MW polymer electrolyte membrane (PEM) electrolyzer system to characterize system performance in relevant scenarios. This work also creates a digital twin for emulation in the Advanced Research on Integrated Systems (ARIES) virtual environment and performs hardware-in-the-loop (HIL) testing of pilot-scale, decentralized, and centralized hydrogen systems.

centralized hydrogen production↗

Metric DBSCAN

SAND2025-11725O Metric DBSCAN is an implementation of the popular DBSCAN clustering algorithm that works in general metric spaces. DBSCAN is a clustering algorithm, a fundamental building block in machine learning. It takes a set of objects and, given some notion of distance, identifies coherent groups of objects. With Metric DBSCAN, users can provide an arbitrary function to compute distance. Nearly all existing implementations of DBSCAN restrict distance to one of a few formulations. Metric DBScan accomplishes this cleanly and efficiently. The Python source code is on Github. 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.

Dalbey, Keith↗

Fabrication, Modeling, and Testing of a Prototype Thermal Energy Storage Containment

Increasing penetration of variable renewable energy resources requires the deployment of energy storage at a range of durations. Long-duration energy storage (LDES) technologies will fulfill the need to firm variable renewable energy resource output year round; lithium-ion batteries are uneconomical at these durations. Thermal energy storage (TES) is one promising technology for LDES applications because of its siting flexibility and ease of scaling. Particle-based TES systems use low-cost solid particles that have higher temperature limits than the molten salts used in traditional concentrated solar power systems. A key component in particle-based TES systems is the containment silo for the high-temperature (>1100 degrees C) particles. This study combined experimental testing and computational modeling methods to design and characterize the performance of a particle containment silo for LDES applications. A laboratory-scale silo prototype was built and validated the congruent transient finite element analysis (FEA) model. The performance of a commercial-scale silo was then characterized using the validated model. The commercial-scale model predicted a storage efficiency above 95% after 5 days of storage with a design storage temperature of 1200 degrees C. Insulation material and concrete temperature limits were considered as well. The validation of the methodology means the FEA model can simulate a range of scenarios for future applications. This work supports the development of a promising LDES technology with implications for grid-scale electrical energy storage, but also for thermal energy storage for industrial process heating applications.

clean energy↗

Design of RUSL Irradiation Experiment with Free Standing Sample

During FY19, the MIMIC-RUSL TREAT test successfully measured the shift in resonance of a cantilever beam as it underwent a grain restructuring event in the TREAT reactor core. FY20 efforts focused on a new capsule design which would replace the cantilever beam with a free-free beam. The free-free beam configuration eliminates the cantilever boundary condition and enables internal friction measurements. A test capsule was designed which supported the sample beam at the nodal points of the first flexural vibration mode. Initial tests detected the resonance peak but the signal to noise level was not high enough for in-situ measurements. Several detection probes were tested and a significant increase in the signal to noise was achieved. Although adequate signals and clean resonance peaks were measured when the beam was centered, the beam did not self-center when displaced resulting in distorted and inconsistent resonance peaks. It was concluded that the free-free beam approach is likely not suited for in-situ measurements. Measurement of ZGV plate waves is another option for in-situ microstructure monitoring and should be considered for future work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Valuing Ecosystems in Equitable Energy Transition Planning

In this report we explore three areas of research and practice needed to scale clean energy sustainably: 1) advancing the predictive science to quantify positive and negative outcomes of energy development for the wellbeing of communities, environments, and disadvantaged groups; 2) scenario design using this science to shape renewable energy solutions for nation-wide decarbonization while delivering tangible, local benefits; and 3) participatory science-policy processes to understand what people want for the places where they live and work and how incorporating renewable energy can help or hinder their goals. Together these three components – quantifying social-ecological values, scenario design, and participatory processes – form the basis for a framework for valuing ecosystems to inform a more equitable energy transition.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Technical Characterization and Benefit Evaluation of 5G-Enabled Grid Data Transport and Applications

This report summarizes the Year 1 work of Pacific Northwest National Laboratory’s (PNNL’s) 5G Fabricated Resource and Asset Management Encompassment for energy infrastructure (Energy FRAME) project funded by the Department of Energy Office of Science’s Advanced Scientific Computing Research Program. 5G is a breakthrough technology that enables a fully mobile and connected society, and a 5G-enabled digital continuum will be one of the critical foundations for a clean energy economy and grid modernization. In collaboration with PNNL’s Advanced Wireless Communication team and Center for Advanced Technology Evaluation team, the project team has been evaluating the system performance of 5G testbeds in the PNNL 5G Innovation Studio, and has formulated a co-simulation test case of power system transmission, distribution, and communication (T&D&C) networks considering 5G technology and high penetration of distributed energy resources. The methodology developed in the 5G Energy FRAME project can be customized to fit different future grid scenarios to evaluate multiple (dynamic) configurations (computing, sensing, communication, environment) for different stakeholders. In summary, our main technical highlights in project Year 1 are as follows: 1) Technical characterization of 5G standalone architectures, 2) Formulation of co-simulation test case of T&D&C networks embedded with 5G, 3) Initial benefit evaluation of 5G communication platform for grid use cases, and 4) Additional extended discussions on edge computing, artificial intelligence and machine learning, and high-performance computing and cloud computing adoptions. In addition, a collection of system performance data is shared through the publicly available weblink, https://www.pnnl.gov/projects/5g-energy-frame/publications

24 POWER TRANSMISSION AND DISTRIBUTION↗