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DOE OSTI2021

MOSIQS: Persistent Memory Object Storage With Metadata Indexing and Querying for Scientific Computing

Scientific applications often require high-bandwidth shared storage to perform joint simulations and collaborative data analytics. Shared memory pools provide a chance to satisfy such needs. Recently, a high-speed network such as Gen-Z utilizing persistent memory (PM) offers an opportunity to create a shared memory pool connected to compute nodes. However, there are several challenges to use scientific applications on the shared memory pool directly such as scalability, failure-atomicity, and lack of scientific metadata-based search and query. In this paper, we propose MOSIQS, a persistent memory object storage framework with metadata indexing and querying for scientific computing. We design MOSIQS based on the key idea that memory objects on PM pool can live beyond the application lifetime and can become the sharing currency for applications and scientists. MOSIQS provides an aggregate memory pool atop an array of persistent memory devices to store and access memory objects to accelerate scientific computing. MOSIQS uses a lightweight persistent memory key-value store to manage the metadata of memory objects, which enables memory object sharing. To facilitate metadata search and query over millions of memory objects resident on memory pool, we introduce Group Split and Merge (GSM), a novel persistent index data structure designed primarily for scientific datasets. GSM splits and merges dynamically to minimize the query search space and maintains low query processing time while overcoming the index storage overhead. MOSIQS is implemented on top of PMDK. We evaluate the proposed approach on many-core server with an array of real PM devices. Experimental results show that MOSIQS gains a 100% write performance improvement and executes multi-attribute queries efficiently with 2.7× less index storage overhead offering significant potential to speed up scientific computing applications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Efficient thermal management of Li-ion batteries with a passive interfacial thermal regulator based on a shape memory alloy [A passive interfacial thermal regulator based on shape memory alloy and its application to battery thermal management]

The poor performance of lithium-ion batteries in extreme temperatures is hindering their wider adoption in the energy sector. A fundamental challenge in battery thermal management systems (BTMSs) is that hot and cold environments pose opposite requirements: thermal transmission at high temperature for battery cooling, and thermal isolation at low temperature to retain the batteries’ internally generated heat, leading to an inevitable compromise of either hot or cold performances. Here, we demonstrate a thermal regulator that adjusts its thermal conductance as a function of the temperature, just as desired for the BTMS. Without any external logic control, this thermal regulator increases battery capacity by a factor of 3 at an ambient temperature (T ambient ) of -20 °C in comparison to a baseline BTMS that is always thermally conducting, while also limiting the battery temperature rise to 5 °C in a very hot environment (T ambient = 45 °C) to ensure safety. The result expands the usability of lithium-ion batteries in extreme environments and opens up new applications of thermally functional devices.

25 ENERGY STORAGE↗

DOE OSTI2014

MOF-based electronic and opto-electronic devices

Emergent properties resulting from the ordered structure and synthetic versatility of nanoporous metal–organic frameworks offer exciting possibilities for electronic devices.

bio-inspired, energy storage (including batteries ↗

DOE OSTI2018

Implementation of a Grid Connected Battery-Inverter Fleet Model

Batteries are designed to store electrical energy. The increasing variation in time value of energy has driven the use of batteries as controllable distributed energy resources (DER). This is enabled though low-cost power electronic inverters that are able to precisely control charge and discharge. This paper describes the software implementation of an open-source battery inverter fleet models in python. The Sandia BatterylnverterFleet class model can be used by scientists, researchers, and engineers to perform simulations of one or more fleets of similar battery-inverter systems connected to the grid. The program tracks the state- of-charge of the simulated batteries and ensures that they stay within their limits while responding to separately generated service requests to charge or discharge. This can be used to analyze control and coordination, placement and sizing, and many other problems associated with the integration of batteries on the power grid. The development of these models along with their python implementation was funded by the Grid Modernization Laboratory Consortium (GMLC) project 1.4.2. Definitions, Standards and Test Procedures for Grid Services from Devices.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2016

Beam measurements using visible synchrotron light at NSLS2 storage ring

Visible Synchrotron Light Monitor (SLM) diagnostic beamline has been designed and constructed at NSLS2 storage ring, to characterize the electron beam profile at various machine conditions. Due to the excellent alignment, SLM beamline was able to see the first visible light when beam was circulating the ring for the first turn. The beamline has been commissioned for the past year. Besides a normal CCD camera to monitor the beam profile, streak camera and gated camera are used to measure the longitudinal and transverse profile to understand the beam dynamics. Measurement results from these cameras will be presented in this paper. A time correlated single photon counting system (TCSPC) has also been setup to measure the single bunch purity.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Electrochemical Ammonia Compression

An electrochemical (EC) compressor is a solid-state compression device. For decades, researchers have been studying EC compressors for applications for a variety of energy systems. As the world transitions away from fossil fuel energy sources, EC compression emerges as a promising technique for energy storage, specifically energy stored in the form of pressurized ammonia. Ammonia is also a commonly used refrigerant. The present studies examine the viability of EC compression for ammonia storage and refrigeration. EC ammonia compression increases the concentration of an ammonia-hydrogen mixture via the input of electrical energy and a series of chemical reactions. A polymer electrolyte membrane separates the low-concentration side from the high-concentration side of the device. On the low-pressure (anode) side hydrogen atoms oxidize and react with ammonia molecules, forming positively charge ammonium ions. The ions traverse the membrane electrolytically. The ammonium ions are reduced and revert back to hydrogen and ammonia upon reaching the high-pressure (cathode). An external circuit provides the current needed to sustain the reactions. In this project, we studied the performance of the ammonia EC compressor under a variety of different conditions. We replicated preliminary data and using a small cell with 5 cm2 of active area. We demonstrated the operation of larger cells with 100 cm2 of active area. Further, we used a commercially available hydrogen EC compressor stack to analyze the scaled-up compressor performance. While previous experiments examined only the transient EC compressor performance, we developed test facilities that allowed the compressor to reach steady state. We analyzed the effects of pressure and current on the EC compressor performance. We measured the flow rates of gas leaving the compressors and analyzed the composition using gas chromatography. We tested methods of separating ammonia from the effluent vapor, which contained hydrogen and water vapor. We found that back diffusion adversely affected the performance, especially when we maintained high pressure lifts.

25 ENERGY STORAGE↗

DOE OSTI2025

FY24 LLNL Laboratory Directed Research and Development (LDRD) Project Accomplishments

Large duration energy storage is the key to couple renewable energy generation with power supply. This project aimed to advance the durability of a low-cost and eco-friendly flow battery technology based on iron chemistry to speed up the technology readiness level rapidly and radically. A novel device which is called “an artificial kidney” was innovated through disruptive research to integrate with the flow battery for rebalancing capacity. Key results at 50 cm2 scale demonstrates that artificial kidney enabled retaining the storage capacity of the flow battery over 100 cycles. Comparison of outcome of this work showing 0% capacity degradation to the state-of-the-art technology corroborates that this novel system is a game changing innovation.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2015

Hydrogen Energy Storage and Power-to-Gas: Establishing Criteria for Successful Business Cases

As the electric sector evolves and increasing amounts of variable generation are installed on the system, there are greater needs for system flexibility, sufficient capacity and greater concern for overgeneration. As a result there is growing interest in exploring the role of energy storage and demand response technologies to support grid needs. Hydrogen is a versatile feedstock that can be used in a variety of applications including chemical and industrial processes, as well as a transportation fuel and heating fuel. Traditionally, hydrogen technologies focus on providing services to a single sector; however, participating in multiple sectors has the potential to provide benefits to each sector and increase the revenue for hydrogen technologies. The goal of this work is to explore promising system configurations for hydrogen systems and the conditions that will make for successful business cases in a renewable, low-carbon future. Current electricity market data, electric and gas infrastructure data and credit and incentive information are used to perform a techno-economic analysis to identify promising criteria and locations for successful hydrogen energy storage and power-to-gas projects. Infrastructure data will be assessed using geographic information system applications. An operation optimization model is used to co-optimizes participation in energy and ancillary service markets as well as the sale of hydrogen. From previous work we recognize the great opportunity that energy storage and power-to-gas but there is a lack of information about the economic favorability of such systems. This work explores criteria for selecting locations and compares the system cost and potential revenue to establish competitiveness for a variety of equipment configurations. Hydrogen technologies offer unique system flexibility that can enable interactions between multiple energy sectors including electric, transport, heating fuel and industrial. Previous research established that hydrogen technologies, and in particular electrolyzers, can respond fast enough and for sufficient duration to participate in electricity markets. This work recognizes that participation in electricity markets and integration with the gas system can enhance the revenue streams available for hydrogen storage systems and quantifies the economic competitiveness and of these systems. A few of the key results include 1) the most valuable revenue stream for hydrogen systems is to sell the produced hydrogen, 2) participation in both energy and ancillary service markets yields the greatest revenue and 3) electrolyzers acting as demand response devices are particularly favorable.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2018

The Influence of Immersion of Porous Silicon in Aqueous Solutions of Fe(NO{sub 3}){sub 3} on Photoluminescence during Long Storage

The interaction of porous silicon (PS) with aqueous solutions of Fe(NO{sub 3}){sub 3} with different molar (M) concentrations causes introduction of iron ions into silicon pores (PS–Fe), formation of adsorbed iron coatings with different thicknesses, and an increase in the stability of PS layers, which is important for development of device structures based of PS. To treat PS layers with solutions by the immersion method, it is necessary to determine how this affects the spectral composition and intensity of photoluminescence (PL), as well as the kinetics of PL changes during long storage under atmospheric conditions. Upon treatment of freshly prepared PS by immersion into in a Fe(NO{sub 3}){sub 3} aqueous solution, it was found that, after short-term storage (up to 5 days) of the PS samples, the PL intensity increases by 7.5 and 3–3.6 times at low (0.2 M) and high (0.7–0.8 M) concentrations of Fe(NO{sub 3}){sub 3}, respectively, compared to the PL intensity of an untreated PS layer. After long-term storage (4 months), the PL intensity of PS–Fe samples with concentrations of 0.1–0.2 and 0.7–0.8 M was observed to considerably increase (by 8–18 times) with unchanged position of the PL peak with respect to untreated PS. However, at the Fe(NO{sub 3}){sub 3} concentration of 0.3 М, the PL intensity decreases and the PL peak shifts to the blue, which is explained by incomplete coverage of the PS surface by an adsorbed iron layer. The kinetics of PL spectra during long-term storage is analyzed, and a model is proposed to explain the PL intensity and spectral composition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Microfluidic Fabrication Techniques for High-Pressure Testing of Microscale Supercritical CO 2 Foam Transport in Fractured Unconventional Reservoirs

Pressure limitations of many microfluidic platforms have been a significant challenge in microfluidic experimental studies of fractured media. As a result, these platforms have not been fully exploited for direct observation of high-pressure transport in fractures. This work introduces microfluidic platforms that enable direct observation of multiphase flow in devices featuring surrogate permeable media and fractured systems. Such platforms provide a pathway to address important and timely questions such as those related to CO 2 capture, utilization and storage. This work provides a detailed description of the fabrication techniques and an experimental setup that may serve to analyze the behavior of supercritical CO 2 (scCO 2 ) foam, its structure and stability. Such studies provide important insights regarding enhanced oil recovery processes and the role of hydraulic fractures in resource recovery from unconventional reservoirs. This work presents a comparative study of microfluidic devices developed using two different techniques: photolithography/wet-etching/ thermal-bonding versus Selective Laser-induced Etching. Both techniques result in devices that are chemically and physically resistant and tolerant of high pressure and temperature conditions that correspond to subsurface systems of interest. Both techniques provide pathways to high-precision etched microchannels and capable lab-on-chip devices. Photolithography/wet-etching, however, enables fabrication of complex channel networks with complex geometries, which would be a challenging task for laser etching techniques. This work summarizes a step-by-step photolithography, wet-etching and glass thermal-bonding protocol and, presents representative observations of foam transport with relevance to oil recovery from unconventional tight and shale formations. In conclusion, this work describes the use of a high resolution monochromatic sensor to observe scCO 2 foam behavior where the entirety of the permeable medium is observed simultaneously while preserving the resolution needed to resolve features as small as 10 μm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Tuning local chemistry of P2 layered-oxide cathode for high energy and long cycles of sodium-ion battery

Layered transition-metal oxides have attracted intensive interest for cathode materials of sodium-ion batteries. However, they are hindered by the limited capacity and inferior phase transition due to the gliding of transition-metal layers upon Na + extraction and insertion in the cathode materials. Here, we report that the large-sized K + is riveted in the prismatic Na + sites of P2-Na 0.612 K 0.056 MnO 2 to enable more thermodynamically favorable Na + vacancies. The Mn-O bonds are reinforced to reduce phase transition during charge and discharge. 0.901 Na + per formula are reversibly extracted and inserted, in which only the two-phase transition of P2 ↔ P’2 occurs at low voltages. It exhibits the highest specific capacity of 240.5 mAh g -1 and energy density of 654 Wh kg -1 based on the redox of Mn 3+ /Mn 4+ , and a capacity retention of 98.2% after 100 cycles. This investigation will shed lights on the tuneable chemical environments of transition-metal oxides for advanced cathode materials and promote the development of sodium-ion batteries.

25 ENERGY STORAGE↗

DOE OSTI2024

Synthesis of 2D layered transition metal (Ni, Co) hydroxides via edge-on condensation

Abstract Layered transition metal hydroxides (LTMHs) with transition metal centers sandwiched between layers of coordinating hydroxide anions have attracted considerable interest for their potential in developing clean energy sources and storage technologies. However, two-dimensional (2D) LTMHs remain largely understudied in terms of physical properties and applications in electronic devices. Here, for the first time we report > 20 μm α-Ni(OH) 2 2D crystals, synthesized from hydrothermal reaction. And an edge-on condensation mechanism assisted with the crystal field geometry is proposed to understand the 2D intra-planar growth of the crystals, which is also testified through series of systematic comparative studies. We also report the successful synthesis of 2D Co(OH) 2 crystals (> 40 μm) with more irregular shape due to the slightly distorted octahedral geometry of the crystal field. Moreover, the detailed structural characterization of synthesized α-Ni(OH) 2 are performed. The optical band gap energy is extrapolated as 2.54 eV from optical absorption measurements and the electronic bandgap is measured as 2.52 eV from reflected electrons energy loss spectroscopy (REELS). We further demonstrate its potential as a wide bandgap (WBG) semiconductor for high voltage operation in 2D electronics with a high breakdown strength, 4.77 MV/cm with 4.9 nm thickness. The successful realization of the 2D LTMHs opens the door for future exploration of more fundamental physical properties and device applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Noninvasive measurements of spin transport properties of an antiferromagnetic insulator

Antiferromagnetic insulators (AFIs) are of substantial interest because of their potential in the development of next-generation spintronic devices. One major effort in this emerging field is to harness AFIs for long-range spin information communication and storage. Here, we report a noninvasive method to optically access the intrinsic spin transport properties of an archetypical AFI α-Fe 2 O 3 via nitrogen-vacancy (NV) quantum spin sensors. By NV relaxometry measurements, we successfully detect the frequency-dependent dynamic fluctuations of the spin density of α-Fe 2 O 3 along the Néel order parameter, from which an intrinsic spin diffusion constant of α-Fe 2 O 3 is experimentally measured in the absence of external spin biases. Our results highlight the significant opportunity offered by NV centers in diagnosing the underlying spin transport properties in a broad range of high-frequency magnetic materials such as two-dimensional magnets, spin liquids, and magnetic Weyl semimetals, which are challenging to access by the conventional measurement techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Feasibility of crystal-assisted collimation in the CERN accelerator complex

Bent silicon crystals mounted on high-accuracy angular actuators were installed in the CERN Super Proton Synchrotron (SPS) and extensively tested to assess the feasibility of crystal-assisted collimation in circular hadron colliders. The adopted layout was exploited and regularly upgraded for about a decade by the UA9 Collaboration. The investigations provided the compelling evidence of a strong reduction of beam losses induced by nuclear inelastic interactions in the aligned crystals in comparison with amorphous orientation. A conceptually similar device, installed in the betatron cleaning insertion of CERN Large Hadron Collider (LHC), was operated through the complete acceleration and storage cycle and demonstrated a large reduction of the background leaking from the collimation region and radiated into the cold sections of the accelerator and the experimental detectors. The implemented layout and the relevant results of the beam tests performed in the SPS and in the LHC with stored proton and ion beams are extensively discussed.

43 PARTICLE ACCELERATORS↗

DOE OSTI2017

Corrective Action Decision Document/Corrective Action Plan for Corrective Action Unit 413: Clean Slate II Plutonium Dispersion (TTR) Tonopah Test Range, Nevada. Revision 0

This Corrective Action Decision Document/Corrective Action Plan provides the rationale and supporting information for the selection and implementation of corrective actions at Corrective Action Unit (CAU) 413, Clean Slate II Plutonium Dispersion (TTR). CAU 413 is located on the Tonopah Test Range and includes one corrective action site, TA-23-02CS. CAU 413 consists of the release of radionuclides to the surface and shallow subsurface from the Clean Slate II (CSII) storage–transportation test conducted on May 31, 1963. The CSII test was a non-nuclear detonation of a nuclear device located inside a concrete bunker covered with 2 feet of soil. To facilitate site investigation and the evaluation of data quality objectives decisions, the releases at CAU 413 were divided into seven study groups: 1 Undisturbed Areas 2 Disturbed Areas 3 Sedimentation Areas 4 Former Staging Area 5 Buried Debris 6 Potential Source Material 7 Soil Mounds Corrective action investigation (CAI) activities, as set forth in the CAU 413 Corrective Action Investigation Plan, were performed from June 2015 through May 2016. Radionuclides detected in samples collected during the CAI were used to estimate total effective dose using the Construction Worker exposure scenario. Corrective action was required for areas where total effective dose exceeded, or was assumed to exceed, the radiological final action level (FAL) of 25 millirem per year. The results of the CAI and the assumptions made in the data quality objectives resulted in the following conclusions: The FAL is exceeded in surface soil in SG1, Undisturbed Areas; The FAL is assumed to be exceeded in SG5, Buried Debris, where contaminated debris and soil were buried after the CSII test; The FAL is not exceeded at SG2, SG3, SG4, SG6, or SG7. Because the FAL is exceeded at CAU 413, corrective action is required and corrective action alternatives (CAAs) must be evaluated. For CAU 413, three CAAs were evaluated: no further action, clean closure, and closure in place. The CAAs were evaluated on technical merit focusing on performance, reliability, feasibility, safety, and cost. Based on the evaluation of analytical data from the CAI, review of future and current operations at CAU 413, and the detailed and comparative analysis of CAAs, clean closure was selected as the preferred CAA for CAU 413 by the U.S. Air Force, Nevada Division of Environmental Protection, and U.S. Department of Energy at the CAA meeting held on August 24, 2016.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

BPM Offset of NSLS-II Storage Ring Based on BBA Measurement

Beam based alignment (BBA) is the final calibration of the Beam position monitor (BPM) readings based on the quadrupole centers and it becomes essential process for the modern synchrotron light sources. For the convenient BBA implementation, usually BPMs are placed close to the quadrupoles and the beam is adjusted to pass the center of the quadrupoles. Therefore, measured BPM BBAs are, in fact, the BPM offsets relative to the quadrupole centers, and by observing their variations, we can estimate the relative movements of the BPMs. In NSLS-II, the BPM BBAs are measured whenever the beam-time allows and the variations are being observed. However, because changing BBAs in the BPM readings has direct and significant impact on the machine operation as well as the user experiments, they are not applied instantly. Instead, in NSLS-II, the official BBA values are managed by the snapshot archiving and retrieving system, called MASAR (MAchine Snapshot Archiving and Retrieve), so that they are well organized and can be easily set to any stored set of BBAs values. NSLS-II is implementing MASAR as a part of EPICS control system for the convenient and mistake-free machine operation. Each snapshot is a group of key-value pairs where keys are EPICS Process Variables (PVs). The snapshots are organized by configurations where each configuration has specific PV sets. And each configuration saves snapshots with titles corresponding their purposes such as normal user operations or specific beam studies. Anyone with control system account can save snapshots and they can be restored whenever needed. One of the configurations is “SR_BPM_BBAS" and the configuration includes the set of EPICS PVs for the storage ring BPM BBA values. This configuration also includes the BBAs of the in the straight sections, called ID (insertion device) BPMs playing important roles in user experiments. The ID BPM BBAs are also directly engaged in the active interlock (AI) machine protection system, which prevents the mechanical damage from the ID radiation. However, in estimating ID BPM BBAs, because there is no quadrupoles around them, interpolations from the surrounding sector BPM BBAs are used. This note focuses on the BPM offset variations based on the BBA measurement data and does not discuss about the ID BPM BBAs because they are not the direct measures of the offsets.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Corrosion Analysis of 121103072 (SAVY-4000)

A surveillance feedlist for fiscal year (FY) 2022 was developed with the intent to target containers with contents known to generate corrosive gasses. One SAVY-4000 (hereafter “SAVY”) container with a serial number 121103072 was selected due to the reasonable wattage and known molten salt extraction (MSE) material corrosive behavior. The material was measured at 3.08 W with approximately 200 g of material placed inside of the SAVY for 6.07 years. The inner packaging configuration included a ¼ Qt stainless steel slip top inner container and a sPVC bag-out bag enclosing the inner container. Visual observations of the container during retrieval revealed several concerning features on the exterior of the container, notably on the lid. Fig. 1 shows the container lid along with an inset image further magnifying the features of interest. The corroded tamper indicating device (TID) wire and the corroded radioactive material tag wire indicated that corrosive gas species for steel were produced during storage. Although the TID wire and rad tag wire are not the same composition as the SAVY body and lid, these are often used as an indicator of potential corrosion inside of the SAVY container. The oxide residing inside of the filter holes and significant buildup around one hole provided further evidence supporting the presence of corrosive species inside of the container.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Portable Anthrax Testing with Lab-in-a-Pocket

BaDx (Bacillus anthracis Diagnostics) is a lab-in-a-pocket device to sample, sense, and diagnose bacteria that cause anthrax. It accomplishes these tasks in environments with no power, refrigerated storage, or laboratory equipment. BaDx was designed to be used with minimal or no training, and to keep handlers safe.

59 BASIC BIOLOGICAL SCIENCES↗