Search NASA⌕ Search

SEARCH · Search NASA

Results for “STORAGE AND NETWORKING SYSTEMS”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 685 records · Page 38

A multi-dimensional parametric study of variability in multi-phase flow dynamics during geologic CO 2 sequestration accelerated with machine learning

Successful geologic CO 2 storage projects depend on numerical simulations to predict reservoir performance during site selection, injection verification, and post-injection monitoring phases of the project. These numerical simulations solve non-linear sets of coupled partial differential equations, while accounting for multi-phase fluid dynamics on the basis of constitutive equations that are embedded into the solution scheme. As a consequence, individual simulations often require tens to hundreds of hours to complete on high-performance computing clusters. Moreover, laboratory experiments reveal that parametric functions for capillary pressure and relative permeability exhibit substantial variability, even within the same rock type. This combination of computational expense and wide-ranging parametric variability means that there remains substantial uncertainty in the behavior of multi-phase CO 2 -water systems, particularly in the context of feedbacks between relative permeability and capillary pressure. To bridge this knowledge gap, here we develop a novel workflow that utilizes physics-based numerical simulation to train an artificial neural network (ANN) emulator for interrogating the multivariate parameter space that governs both capillary pressure and relative permeability. With this approach, the ANN is trained to emulate both fluid pressure distribution and CO 2 saturation, which are then interrogated quantitatively to generate parametric response surface mappings with high-fidelity resolution. Results from this study initially show that capillary entry pressure is the dominant control on both CO 2 plume geometry and fluid pressure propagation when considering the combined effects of capillary pressure and relative permeability, particularly when phase interference is low and residual CO 2 saturation is high. Moreover, the ANN emulator provides tremendous computational speed-up by computing 2691 individual simulations in several minutes; whereas, the same simulation ensemble would have required ~3 years of simulation time using only physics-based simulation methods (25,000 times speed up).

58 GEOSCIENCES↗

Enhancing Cloud Cybersecurity: Prescriptive Controls for Operational Technology

This whitepaper provides strategic insights and recommendations into security cloud-based solutions for electric utilities, encompassing operational technology (OT), virtual power plants (VPP), distributed energy resources (DERs), applications, networks, and data storage as they transition to and leverage cloud infrastructure through managed service providers (MSPs) and cloud service providers (CSPs). Principles derived from established frameworks serve as a foundation for best practices across cybersecurity projects and remove the constraints of settling on a single framework. For organizations that prefer not to integrate a specific framework altogether, elements of the proposed approach could be adopted or tailored to best fit defined requirements and expected functionalities. The Cirrus assessment, a utility cloud feasibility tool, and the roadmap it provides serve as a precursor to this paper, which seeks to be a valuable resource for defining next steps following cloud technology integration feasibility appraisal. With its comprehensive approach to adoption, the Cirrus framework offers strategic guidance on responsibly preparing for or deploying a utility cloud solution. The previously published whitepaper, “Use Case-Informed Framework for Utility Cloud Migration,” details the guiding strategy, research, and deployment of cloud solutions within electric and interconnected grid systems. Before implementing the controls suggested in this document, it is recommended that stakeholders complete Cirrus's cloud integration assessment and pair the results with their unique cybersecurity controls to form a comprehensive cloud-based utility cybersecurity plan. The Cirrus outcome will consider a series of future architectures for the grid before and after the energy transition and evaluate the arguments for and against cloud applications for each electric and interconnected grid layer. This document is a companion to the original whitepaper, "Use Case-Informed Framework for Utility Cloud Migration" to further identify and recommend security controls based on Cirrus’s cloud integration assessment output. The following whitepaper outlines the cybersecurity controls that secure cloud-service models pertinent to the electric sector using the predefined categories identify, protect, detect, and respond and recover. The objective is to outline prescriptive security controls based on the type of architecture and data stored in the cloud. The focus includes dissecting the shared responsibility model and elucidating what on-premises Infrastructure as a Service (IaaS), Platform as a Service (PaaS), and Software as a Service (SaaS) entail. A pivotal consideration in this context is allocating responsibility for foundational cybersecurity aspects—having used Cirrus for the cloud integration assessment. The ensuing controls detailed herein also represent a checklist of controls necessary for a secure cloud transition, equipping utilities with the knowledge to navigate this digital transformation with confidence and strategic foresight in a safe and responsible manner.

42 ENGINEERING↗

FPDeep: Scalable Acceleration of CNN Training on Deeply-Pipelined FPGA Clusters

In this paper, we propose a framework called FPDeep, which uses a hybrid of model and layer paral- lelism to configure distributed reconfigurable clusters to train DNNs. This approach has numerous benefits. First, the design does not suffer from batch size growth. Second, novel workload and weight partitioning leads to balanced loads of both among nodes. And third, the entire system is fine-grained pipeline. This leads to high parallelism and utilization and also minimizes the time features need to be cached while waiting for back-propagation.

Wang, Tianqi↗

Integration of Concentrating Solar Power with High Temperature Electrolysis for Hydrogen Production: Preprint

Hydrogen (H2) has been identified as a leading sustainable contender to replace fossil fuels in transportation and electricity generation. H2 production can be achieved by concentrating solar thermal power (CSP) systems collecting thermal energy from the sun to various chemical processes for fuel production. Fuel production via solar thermal chemical processes integrated with CSP uses the full spectrum of sunlight compared with photovoltaic power conversion and stores solar energy directly and efficiently [1]. The solar fuel production can be realized by thermochemical processes (e.g., water splitting for H2 production, carbon dioxide reduction, or methane reforming) or thermal electrochemical methods (e.g., integration with solid oxide electrolysis cell). Technology development for CSP-integrated solar fuel production requires broad technological bases from solar energy collection to chemical energy conversion. H2 generated from renewable sources can be an energy carrier for a carbon-free economy. Integrating CSP with high temperature electrolysis (HTE) using solid oxide electrolysis cells (SOEC) provides a renewable path for H2 generation. The CSP-HTE integration approach provides the benefit of thermal energy storage (TES) for continuous operation, improved capacity, and SOEC life. H2 gas has low energy density for transportation, pipeline networks are expensive, and H2 liquefaction is energy intensive. However, an alternative method for H2 distribution is to use carbon dioxide (CO2) capture and liquid hydrocarbon synthesis to convert solar energy into liquid fuels that are compatible with the existing fossil fuel infrastructure.

concentrating solar thermal power↗

SUBTASK 1.6 – BASIN ELECTRIC CARBON STORAGE RESEARCH PROJECT: NOVEL MONITORING TECHNIQUES

The Energy & Environmental Research Center (EERC) conducted baseline activities associated with an applied research project at Basin Electric Power Cooperative’s (Basin’s) carbon capture and storage (CCS) site in Beulah, North Dakota, to establish novel carbon storage-monitoring techniques as commercial methods under Cooperative Agreement No. DE-FE0024233, Subtask 1.6. The following report summarizes the baseline activities performed and briefly describes the subsequent (operational monitoring) activities that have been proposed to the U.S. Department of Energy (DOE) as part of the overall project to develop and demonstrate novel monitoring techniques at North America’s largest permitted CCS operation. Dakota Gasification Company (DGC), a wholly owned subsidiary of Basin, owns and operates the Great Plains Synfuels Plant (GPSP) approximately 5 miles northwest of the town of Beulah, North Dakota (Figure 1). In 2023, DGC received approval from the North Dakota Industrial Commission (NDIC) to develop a storage facility on-site for injecting a stream of carbon dioxide (CO2) captured from GPSP. DGC will transport the captured CO2 stream with approximately 6.8 miles of transmission lines that extend north of GPSP and inject >1 million tonnes (MMt) of CO2 annually (>1 MMt/yr) over a 12-year period with up to six underground injection control (UIC) Class VI-compliant injection wells completed in the Broom Creek Formation, a predominantly sandstone reservoir and saline aquifer underlying GPSP. The Broom Creek Formation lies approximately 5900 feet (ft) below ground surface (bgs) at GPSP. The commercial scale (i.e., >1 MMt/yr) of DGC’s permitted carbon storage project is ideal for developing and testing the novel monitoring techniques included within Subtask 1.6. The goals of this project are to demonstrate 1) the cost-effectiveness of novel monitoring technologies included as part of this research, 2) technology capability for tracking the CO2 plume and/or associated pressure response in the subsurface and monitoring out-of-zone migration, and 3) compliance with UIC Class VI program requirements. The research activities proposed for the overall project include 1) design of an automated, integrated, modular (AIM) monitoring station; 2) time-lapse electromagnetic (EM) field surveys; 3) drone-based surveillance studies; 4) time-lapse monitoring with seismic methods; 5) advanced wellbore-monitoring methods; 6) deployment of an AIM monitoring network; 7) EM monitoring of CO2 with real-time data processing; 8) continued seasonal drone-based surveillance studies; 9) seismic monitoring with passive and active surveys; and 10) wellbore monitoring with nuclear magnetic resonance (NMR) for near-surface characterization. Completion of Activities 1.0–5.0 (baseline activities) are described in this report. Upon authorization of funding by DOE, the EERC will initiate Activities 6.0– 10.0 (operational monitoring activities). Current state-of-the-art (SOA) carbon storage-monitoring techniques require countless labor hours dedicated to the acquisition of data. Once data are gathered, these SOA techniques often rely on commercial facilities to process raw data from the field. However, it is anticipated that next-generation monitoring techniques, such as those being demonstrated, will lower acquisition footprints, be less operationally intensive, and improve data acquisition efficiencies. These new techniques are more conducive to the application of machine learning, artificial intelligence, and automation, thus providing a pathway for integration into active control systems, informing site operability, and improving the integration of data for future CCS projects across the United States. Additionally, reclaimed and active mining lands are present within the project site, creating a unique opportunity to demonstrate the effectiveness of remote sensing and surface-based geophysics monitoring techniques at similar project sites that may include disturbed, unconsolidated, or actively excavated near-surface environments. The efforts included in the overall project will produce necessary designs, learnings, and data acquired during the baseline and operational monitoring periods that are necessary for time-lapse demonstration and validation of the described monitoring techniques. In addition, it is anticipated that the monitoring technologies included in this study will be compliant with UIC Class VI requirements to enable the potential for implementation at other CCS sites across the United States.

42 ENGINEERING↗

Geothermal district energy systems coupled with seasonal underground thermal energy storage: a U.S. techno-economic screening by climate and geology

In the United States, cooling-dominated commercial building loads can cause geothermal heat pump-based district energy systems to accumulate a long-term subsurface thermal imbalance, motivating the incorporation of seasonal underground thermal energy storage. We developed a transferable workflow to evaluate geothermal district systems that pair ground heat exchangers with seasonal underground thermal energy storage. Using standardized hourly loads for seven commercial buildings and a uniform cost framework, we simulated ten U.S. cities with a physics-based ground heat exchanger model, subsurface storage simulations, and economic assessment to isolate the roles of climate and hydrogeology. In cooling-dominated cities, underground thermal energy storage supplied the majority of annual cooling, cutting electricity use and summer peaks substantially while achieving levelized costs comparable to or below conventional chiller-boiler plants. In cooler climates, the storage share shrunk, required borefield size and costs rose, and levelized cost of energy increased nearly linearly with declining underground thermal energy storage fraction, indicating storage fraction as the primary economic lever. Sensitivity analysis showed capital risk dominated by borefield drilling and surface heating, ventilation, and air-conditioning and piping, with underground thermal energy storage costs secondary. This workflow provides a transparent foundation for site-specific design and screening of next-generation geothermal district energy systems.

25 ENERGY STORAGE↗

Groundwater and Surface Water Flow (GSFLOW) model files to explore bedrock circulation depth and porosity in Copper Creek, Colorado

This data package contains integrated hydrological model input and output files for Copper Creek, Colorado (24 km2), a tributary of the East River located in the headwaters of the Upper Colorado River Basin. The model code is the U.S. Geological Survey (USGS) Groundwater and Surface Water Flow (GSFLOW) model. The model contains a 100-m grid resolution and a daily timestep. The land surface model is dynamically linked to a three-dimensional groundwater flow model that allows for streamflow gaining and losing conditions. The groundwater model contains 12 model layers and extends 400 m below land surface. The original Copper Creek model was modified to contain geologic layers representing saprolite, shallow bedrock, and deep bedrock. Endmember depth versus hydraulic conductivity relationships and porosity values for fractured crystalline rock are simulated. For the shallow case, median flow depths occur in the shallow saprolite at depths <8 m, while the deep case promotes a median groundwater flow depth of 100 m. With this modeling framework we compare streamflow response to a plausible worst-case drought lasting up to five years. Streamflow metrics of analysis include average streamflow, fraction of stream network that is dry, no-flow duration, average groundwater flow to streams and time to recovery following the drought. Results and implications are presented in a paper submitted to Geophysical Research Letters titled, "The role of bedrock circulation depth and porosity in mountain streamflow response to prolonged drought" by Rosemary WH. Carroll, Andrew H. Manning and Kenneth H Williams. A Readme.txt file provides instructions on how to download all model files and execute each model scenario. In addition to the GSFLOW output/prms/copper_drought.csv file containing daily basin water stores and fluxes (refer to GSFLOW manual) and the output/prms/copper_drought_statvar.dat file with output defined in the gsflow3.control file (refer to GSFLOW Manual), output files also include spatially distributed daily values of total evapotranspiration, canopy evaporation, precipitation, snowfall, infiltration, snow water equivalent, potential evapotranspiration, recharge, sublimation, soil moisture, contributing interflow, water table elevations, changes in groundwater storage, groundwater evapotranspiration, interbasin groundwater flow (limited to the alluvium below the stream outlet), and surface-groundwater exchanges within the river system.

54 ENVIRONMENTAL SCIENCES↗

Minority Serving Institutions Partnership Program (MSIPP) - 18108

The DOE-EM recognizes that successfully completing its legacy environmental cleanup mission will require maintaining a well-trained, technically skilled, and diverse workforce. Minority representation in critical science and engineering fields is an important part of EM's vision for the future workforce. The Minority Serving Institutions Partnership Program (MSIPP) has been created and designed to increase the numbers of minorities with science and engineering experience in areas important to the success of the DOE-EM mission. MSIPP will provide financial assistance for science, technology, engineering, and mathematics (STEM) activities at Minority Serving Institutions (MSI) engaged in research and related STEM efforts supporting EM's needs. The program offers research internship opportunities at DOE National Laboratories across the DOE complex. MSIPP also encourages research collaborations between MSI Universities and DOE National Laboratories by funding research in areas relevant to DOE-EM needs. Based on current DOE-EM missions, there are two research focus areas: Tank Waste and Site Restoration. Tank Waste includes priority areas of current DOE tank waste and waste processing approaches, alternative DOE tank waste processing options, and tank management and closure. Site Restoration research concentrates in the areas of Soil and Groundwater with priority areas of attenuation-based remedies for the subsurface, deep vadose zone, remediation of mercury and industrial contaminants, and advanced simulation capability for environmental management; and, in the areas of Deactivation and Decommissioning, with priority areas of unique sensor networks for remote monitoring of entombed facilities and tanks, interactions between radiological and chemical contaminants of concern to DOE and facility materials, incombustible fixatives and decontamination agents, acceptability of DeconGel and various contaminant mixtures and robotics, remote systems with plug-and-play interchangeable components, and models for facility decommissioning. This paper gives an overview of the opportunities available to MSI students and universities and outlines the progress this program has made since its inception, and the path forward to further enhance efforts to create a pipeline into the DOE-EM workforce. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Solvent oligomerization pathways facilitated by electrolyte additives during solid-electrolyte interphase formation

The solid–electrolyte interphase (SEI) layer formation is known to play an important role in determining the lifetime of lithium-ion batteries. A thin, stable SEI layer is linked to overall improved battery performance and longevity, however, the factors and mechanisms that lead to optimal SEI morphology and composition are not well understood. Inclusion of electrolyte additives (fluoroethylene carbonate, FEC; and vinylene carbonate, VC) is often necessary for improving SEI characteristics. To understand how these electrolyte additives impact SEI formation, we employed molecular dynamics (MD) and density functional theory (DFT) simulations to study the reaction networks and oligomerization pathways, respectively, for three systems containing ethylene carbonate (EC), a lithium ion, and FEC or VC. MD simulations suggest radical oligomerization pathways analogous to traditional oligomerization with nucleophilic alkoxide species via SN1 reaction mechanisms. Both S N 1 and S N 2 mechanisms were studied for all three systems using DFT. Oligomerization reactions were studied with both a standard alkoxide species and a ring-opened EC radical as the nucleophiles and EC, FEC, and VC as the electrophiles. For all cases, FEC and VC exhibited lower free energy barriers and more stable adducts when compared with EC. We conclude that one of the role of additives is to modify the oligomerization process of EC by introducing branching points (FEC) or termination points (VC).

25 ENERGY STORAGE↗

Next generation experimental data access at NSLS-II

The NSLS-II network and computing infrastructure has been significantly updated recently. The re-IP process in 2020-2021 enabled the NSLS-II network to be routable to the rest of the BNL campus. Then, standardization of the operating systems and deployment procedures helped to deliver a consistent environment to workstations and servers used by all NSLS-II beamlines. In particular, the RedHat Enterprise Linux 8 was deployed to 700+ machines using the RedHat Satellite infrastructure management product, and all critical services (IOCs, databases, etc.) were migrated to the new OS. NFS users’ home directories are consistent across all of the machines, which eliminates the need for the individual configuration of the user environment on each host. The standard suite of software packages is available to the beamline staff and users, which includes the system packages (deployed via RPM) as well as the conda environments for data acquisition and analysis. Security measures were implemented to comply with the industry standards, which include multi-factor authentication (using Duo), secure screen lock for the beamline machines, and advanced access control to the experimental data that is stored in shared central storage available on all hosts. These major enhancements facilitated sharing the experimental data (currently for a number of selected beamlines, with a plan to extend it to the whole facility in the nearest future) with the users via an externally facing JupyterHub instance. The beamlines keep using the Bluesky data acquisition framework to orchestrate their experiments, and the new infrastructure enabled them to use a next-generation data access library called tiled.

36 MATERIALS SCIENCE↗

MLEC-Sim: A Simulator for Evaluating Multi-Level Erasure Coding

We present MLEC-Sim, a sophisticated simulator for Multi-Level Erasure Coding (MLEC), developed in approximately 13 KLOC. The simulator is engineered to analyze the impact of various system configurations and erasure coding policies on system durability and network overhead. It supports a comprehensive range of parameters including disk capacity, disk I/O bandwidth, failure rates, network bandwidth, and system scale, accommodating various erasure coding approaches such as Single-Level Erasure Coding (SLEC), Multi-Level Erasure Coding (MLEC), and Local Reconstruction Codes (LRC). MLEC-Sim provides support for multiple chunk placement policies, including clustered parity and declustered parity, and encompasses a variety of repair methods like Repair-ALL, Repair-FCO, Repair-HYB, and Repair-MIN. It is capable of simulating disk failures through a variety of means, including distribution-based or trace-based mechanisms, and can handle complex multi-level (de)clustered placements and repair processes. A key feature of MLEC-Sim is its adoption of the splitting simulation method for evaluating system durabilities at extremely high levels, which are challenging to assess with traditional simulation approaches. This feature allows for a detailed evaluation of system resilience under a range of conditions, aiding in the selection of appropriate erasure coding solutions for enhancing system durability. MLEC-Sim contributes to the field of data storage and reliability by providing a tool for the detailed evaluation of the durability and efficiency of erasure coding configurations, intended for use by researchers and practitioners in the design and optimization of storage systems.

Wang, Meng↗

The Hidden Flexibility of the Natural Gas Network for Electric Power Operations: A Case Study of a Near-Miss Winter Event

The U.S. power sector has become increasingly reliant on gas pipeline networks to deliver fuel to natural gas power plants. In addition to supplying relatively low-cost fuel, gas networks offer generators flexibility in their operations through the ability to deliver fuel when needed by using gas storage facilities or linepack if the gas network is at an operating point below its design capacity. However, disruptions or stress events on the gas network - like those occurring in the Northeast and Texas in recent years - can result in limitations on gas availability to generators at times when generation is in short supply. Here we examine a period of stress that occurred in the winter of 2022 in the Western United States. Using data on the region's natural gas pipeline network and electric generators, we build an integrated gas and electric model that closely replicates the actual dispatch of the period. We then evaluate the implications of removing flexibility employed by the gas network operator, which during that period curtailed scheduled gas deliveries to other parties to increase deliveries to natural gas power plants, which requested more gas than initially forecasted. We find that without the flexibility supplied by the gas network operator, there would have been curtailment of gas generation due to gas offtake constraints, requiring the power system operator to redispatch relying on more expensive generation or to potentially shed load. A sensitivity exploring a wind drought further exacerbates the strain, illustrating the potential challenge of managing gas and grid interactions as systems move to higher shares of variable renewable electricity. Based on this example, we discuss potential coordination strategies between the two system operators to ensure that the power system can successfully utilize and rely on the flexibility offered by natural gas networks.

03 NATURAL GAS↗

Optimal Co-Design of Integrated Thermal-Electrical Networks and Control Systems for Grid-interactive Efficient District (GED) Energy Systems

This project advances a unified, open-source framework for the optimal co-design of thermal, electrical, and control systems in grid-interactive efficient districts (GEDs). As communities integrate growing levels of distributed energy resources, traditional approaches that model thermal and electrical networks independently lead to reduced efficiency, limited flexibility, and missed opportunities for coordinated operation. To address these challenges, the research team developed a comprehensive suite of physics-based models, control algorithms, and software tools that enable holistic simulation, optimization, and demonstration of district-scale energy systems.

14 SOLAR ENERGY↗

Multidrug Core–Shell Bead: A System for Bacterial Infection Treatment in Fish

This study was developed to improve the durability and bioavailability of polymer matrix containing the antibacterial agent’s bacitracin (BAC), berberine (BER) and sodium nitroprusside (SNP), an ionotropic gelation method was successfully applied to prepare alginate/chitosan core–shell beads. The structure and properties of different core–shell beads were characterized by scanning electron microscopy (SEM), zeta potential, Fourier transform infrared spectroscopy (FTIR), thermal analysis (DSC), swelling tests, bioadhesive assay, release kinetic profile and antibacterial/antibacteriostatic activity in bacterial model. The morphology of beads was investigated by SEM, display relatively spherical shape and revealed rough surface was also observed the appearance of cracks probably caused by partial collapsing of the polymer network during drying. The diameter means particle size observed was around 1.04 ± 0.13 mm, the particles showed a neutral value, around + 0.305 mV. Using UV–Vis technique was observed a high entrapment efficiency of compounds BAC, BER and SNP (> 95%) in the alginate/chitosan core–shell beads. As demonstrated, there is increase in the swelling degree in pH 6.2. The drug release profile showed a pH-dependent release kinetics. At pH 5.0 the most suitable kinetic model is Higuchi, at pH 6.2 a zero-order model is observed, while at pH 7.4 the Korsmeyer–Peppas model present a good fit. The presence of compounds on beads was confirmed using FTIR analyses, and the results indicated that there is no interaction between drugs and vehicle used in the formulation. We can consider after DSC analysis that beads containing BAC, BER and SNP are thermally more stable than separate formulations having the characteristics required for application at room temperature. The release system produced has physical characteristics that allow the storage of the drugs for long periods of time maintaining their chemical and pharmacological properties unchanged. The percentage of adhesion displayed value of 66%, that indicates the improvement in adherence time on the absorbing surfaces to improves drug bioavailability and effectiveness of compounds. In this study is displayed the additive effect between BAC, BER and SNP shown the potential application of compound combinations as an efficient, novel therapeutic tool for antibiotic-resistant bacterial infections. These results indicate that the proposed strategy improves drug bioavailability and effectiveness of compounds in the treatment of fish.

36 MATERIALS SCIENCE↗

Data-Driven Prediction of Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction Network

Interfacial reactions are notoriously difficult to characterize, and robust prediction of the chemical evolution and associated functionality of the resulting surface film is one of the grand challenges of materials chemistry. The solid-electrolyte interphase (SEI), critical to Li-ion batteries (LIBs), exemplifies such a surface film, and despite decades of work, considerable controversy remains regarding the major components of the SEI as well as their formation mechanisms. Here we use a reaction network to investigate whether lithium ethylene monocarbonate (LEMC) or lithium ethylene dicarbonate (LEDC) is the major organic component of the LIB SEI. Our data-driven, automated methodology is based on a systematic generation of relevant species using a general fragmentation/recombination procedure which provides the basis for a vast thermodynamic reaction landscape, calculated with density functional theory. The shortest pathfinding algorithms are employed to explore the reaction landscape and obtain previously proposed formation mechanisms of LEMC as well as several new reaction pathways and intermediates. For example, we identify two novel LEMC formation mechanisms: one which involves LiH generation and another that involves breaking the (CH 2 )O-C(=O)OLi bond in LEDC. Most importantly, we find that all identified paths, which are also kinetically favorable under the explored conditions, require water as a reactant. This condition severely limits the amount of LEMC that can form, as compared with LEDC, a conclusion that has direct impact on the SEI formation in Li-ion energy storage systems. Finally, the data-driven framework presented here is generally applicable to any electrochemical system and expected to improve our understanding of surface passivation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DIRECT SIMULTANEOUS MEASUREMENT OF PARTICULATE MATTER AND AMMONIA STORAGE ON COMBINED SELECTIVE CATALYTIC REDUCTION FILTER SYSTEMS USING RADIO FREQUENCY SENSORS

Tightening global emissions regulations are motivating interest in the development and implementation of Selective Catalytic Reduction + Filtration (SCRF) systems, which are designed to reduce the concentration of tailpipe particulate matter (PM) and NO x emissions. These systems allow designers to combine the NO x reduction capability of an SCR with the filtration capability of a particulate filter on a single unit. Practical implementation of these systems requires reliable measurement and diagnosis of their state – both with respect to trapped particulate matter as well as adsorbed ammonia. Currently, these systems rely on a variety of gas sensors, mounted upstream or downstream of the system, that only provide an indirect inference of the operation state. In this study, a single radio frequency (RF) sensor was used to perform simultaneous measurements of soot loading and ammonia inventory on an SCRF. Several SCRF core samples were tested at varying soot and ash loads in a catalyst reactor bench. Soot levels were measured by monitoring changes in the bulk dielectric properties within the catalyst using the sensor, while ammonia levels were determined by feeding selected regions of the RF spectrum into a pretrained generalized regression neural network model. Results show the RF sensor is able to directly measure the instantaneous ammonia inventory, while simultaneously providing soot loading measurements within 0.5 g/L. These results confirm that simultaneous measurements of both the PM and ammonia loading state of an SCRF are possible using a single RF sensor via analysis of specific features in the full RF spectrum. The results indicate significant potential to remove the control barriers typically associated with the implementation of advanced SCRF systems.

Ragaller, Paul↗

Wettability Effects on Primary Drainage Mechanisms and NAPL Distribution: A Pore-Scale Study

The pore-scale processes governing water drainage behavior in porous media have implications for geoscience multiphase scenarios including carbon capture and storage, contaminant site remediation, oil recovery, and vadose zone processes. However, few studies report directly observed pore-scale water drainage phenomena in 3-D soils. This knowledge gap limits our ability to verify assumptions underlying existing models and develop optimal solutions. As such, this paper utilizes synchrotron X-ray microtomography to present an experimental pore-scale examination of nonaqueous phase liquid (NAPL)/water distribution along a primary drainage front as dense NAPL was injected upward into water wetting (WW) and intermediate wetting (IW) sand-packed columns. Pore-network structures were extracted from imaged data sets and mapped onto segmented NAPL/water data sets which allowed quantitative examinations of wettability impacts on (a) the extent to which NAPL fills individual pore bodies and (b) relationships between pore size and the phase occupying the pore, with both considered as a function of distance (and capillary pressure) relative to the NAPL front. These results revealed that several hypotheses treating IW sand similarly to WW sands are simplistic. IW systems exhibited a sequence of pore filling that deviated from traditional capillary pressure-based model predictions: NAPL invades smaller pores, while larger, adjacent pores are bypassed leaving multipore residual water ganglia. NAPL pore saturations were close to 1 and did not change with capillary pressure in IW systems. Overall, the results illustrate how a relatively small change in operative contact angle alters NAPL distribution during water drainage, with important implications for geoscience multiphase flow scenarios.

58 GEOSCIENCES↗

Sandia Cloud Forensics and Incident Response Platform v 1.0

As systems and devices become virtualized and deployed in the cloud, the hypervisor becomes an increasingly appropriate place to collect performance data, system state, system landscape, function calls, transaction traces, and other characteristics. We developed a method by which an introspection application may be coupled with a hypervisor to “reach into” the VM with minimal intrusiveness to collect data critical to the reconstruction of events, files, and operations. Such a capability is required to take advantage of the hypervisor as an instrumentation platform and to integrate that data with more traditional collection mechanisms. The concept of a VM serviced by a lightweight hypervisor is a relatively new paradigm for forensic practitioners. Traditional forensic techniques, based on assumptions that the filesystem was directly interacting with the hardware through an abstraction, afforded the forensic practitioner the assumption that there was nothing controlling the application below the filesystem. This is not the case when using virtualized technologies. Hypervisors can covertly monitor, introspect and interact with the guest in a transparent fashion. The problems of storage and collection of actionable data are exhausting. The current challenge is most hypervisors do not expose a useful application programming interface (API) at a sufficient level to do transparent, fine-grained and customizable introspection. Scalable VM instrumentation and introspection at an in-depth level requires fast handling of events, as well as direct access to VM state. Furthermore, deep introspection benefits greatly from the ability to gather data from the hardware during the VM’s exit to the hypervisor. All of this requires identical access to the system as the hypervisor itself; improper use of this ability could easily cause system instability. It is for this reason we believe that the hypervisor developers have been hesitant to grant this much control through their APIs. However, our approach leverages other means to collect and monitor the guests in a targeted fashion. Virtual machine introspection (VMI) is a technique used to monitor the runtime state of a system-level virtual machine. The runtime state can be may include processor registers, memory, disk, network, and any other hardware-level events A review of research literature and current VMI technologies exposed several limitations and tradeoffs in VMI approaches, including: the use of in-guest agents; kernel to user space transitions (dramatically slowing down processing); VMI tool pre-configuration requirements; hypervisor version lock-in or source code patching; reliance on operating system symbols; limited processor features due to hypervisor (even if the hardware could do more). To address these constraints, a VMI tool was envisioned to provide the cloud forensic capabilities while having as few of these limitations as possible. The Kernel-based Virtual Machine Introspection (KVMi) tool was developed for hypervisors on Intel’s x86-64 architecture. To meet performance, scoping and use-case demands, the follow criteria were applied to KVMi to support live, forensic data collection: • Shall not require in-guest agents. • Shall work with any recent version of modern hypervisors. • Shall introspect upon any guest (VM) running modern versions of Windows, Linux and OS X. • Shall have the ability to find and track operating system artifacts • Shall not require operating system symbol files. • Shall be able to fully handle VM-exits, bypassing execution of the hypervisor if necessary, to facilitate new features the hypervisor may not support. • Shall be compilable/loadable on a running system with standard build tools.

Stout, WilliamM.S.↗