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Beyond the Hype: An Evaluation of Commercially Available Machine-Learning-Based Malware Detectors

There is a lack of scientific testing of commercially available malware detectors, especially those that boast accurate classification of never-before-seen (i.e., zero-day) files using machine learning (ML). Consequently, efficacy of malware detectors is opaque, inhibiting end users from making informed decisions and researchers from targeting gaps in current detectors. In this paper, we present a scientific evaluation of four prominent commercial malware detection tools to assist an organization with two primary questions: To what extent do ML-based tools accurately classify previously and never-before-seen files? Is purchasing a network-level malware detector worth the cost? To investigate, we tested each tool against 3,536 total files (2,554 or 72% malicious, 982 or 28% benign) of a variety of file types, including hundreds of malicious zero-days, polyglots, and APT-style files, delivered on multiple protocols. We present statistical results on detection time and accuracy, consider complementary analysis (using multiple tools together), and provide two novel applications of the recent cost-benefit evaluation procedure of Iannacone & Bridges. Although the ML-based tools are more effective at detecting zero-day files and executables, the signature-based tool might still be an overall better option. Both network-based tools provide substantial (simulated) savings when paired with either host tool, yet both show poor detection rates on protocols other than HTTP or SMTP. Our results show that all four tools have near-perfect precision but alarmingly low recall, especially on file types other than executables and office files—37% of malware, including all polyglot files, were undetected. Priorities for researchers and takeaways for end users are given. Code for future use of the cost model is provided.

97 MATHEMATICS AND COMPUTING↗

DROP DURABILITY ASSESSMENT OF ELECTRONIC ASSEMBLIES UNDER OFF-AXIS LOADING WITH SKEWED FIXTURES

This thesis studies drop durability of electronic assemblies when the acceleration vector is oriented at 45° to the out-of-plane direction of the circuit card. The off-axis drop tests are accomplished with a skewed fixture and are conducted as a proxy for multiaxial drop testing. Advanced shock testing and vibration test methods have been developed over the last few decades to better represent real-world field environments during ground-based laboratory testing. However, many of these test methods require expensive and specialized equipment not available in most laboratories. An alternative approach for approximating simultaneous loading along multiple axes on conventional equipment utilizes skewed fixtures which have seen use in off-axis random vibration and drop impact testing. These methods generally rely on the conversion of a uniaxial input load from the test equipment (using a uniaxial drop tower or shaker) into a multiaxial load when resolved in the reference frame of the test article (mounted on a skewed fixture). Skewed fixture design is presented and recommendations for conducting skewed angle drop testing are introduced based on local measurements along the skewed face of the fixture to accurately monitor the impact event. Characterization tests were performed with a skewed fixture, at simultaneous acceleration loads from 500 to 3,000 g in two (in-plane and out-of-plane) directions, while meeting standard time domain tolerances. Upon experimental characterization, drop shock durability tests were conducted on a printed circuit assembly (PCA). Mean drops-to-failure were measured and quantified with Weibull statistics. Dominant solder joint failure modes were identified via failure analysis. Prior work on inclined angle impact testing is limited, and the majority of solder joint interconnect level fatigue studies are conducted considering perpendicular loading normal the circuit card. Low-cycle fatigue curves are generated based on plastic strain and plastic work density within the solder joint. A multiscale nonlinear finite element model is used to relate board-level flexure to solder joint interconnect level plastic strain. A high strain rate solder constitutive model allows for accurate modeling of solder plasticity resulting from high-impact drop shock. Fatigue parameters are computed from the Coffin-Manson relation and Palmgren-Miner damage accumulation. This work serves to apply established low-cycle fatigue methods for conventional drop shock loading (impact normal to circuit card) to non-perpendicular loading with a skewed fixture.

Hower, Jonathan [Kansas City National Security Cam↗

ISS External Microorganisms: A Payload to Close Planetary Protection Knowledge Gaps for Crewed Missions

Before NASA or COSPAR is able to set planetary protection requirements for crewed missions to locations like Mars there are a number of critical knowledge gaps that must be addressed (1). One of the most important knowledge gaps is an understanding of microbial leakage from crewed habitats and space suits. Current ECLSS (Environmental Control and Life Support System) and PLSS (Portable Life Support System) requirements do not include any provisions to control microbes that may escape along with vented or leaked gasses. The current generation of NASA space suits can leak at rates as high as 100 cm2 /min. during nominal operation (2). ISS (International Space Station) intentionally vents atmospheric gases like CO2 to maintain habitable conditions for the crew. Furthermore, every time an airlock is used for EVA (extravehicular activity)there is an accompanying release of internal atmosphere. Since it is not possible to sterilize a crewed mission, it is important that we understand what if any microbes are entrained in these vented and leaked products. It is also important to understand if these microbes can survive on exterior surfaces. Recent sampling of the Russian segments of ISS suggest that bacteria and fungi from inside ISS may be capable of surviving on external surfaces(3). NASA is developing an aseptic sampling tool for use during EVA and plans to collect samples from vents on ISS to build on these results. The results of this work will be used to develop planetary protection requirements for vented and leaked gasses from crewed volumes. NASA has developed and tested a tool kit for collecting microbiological samples during EVA(4). This tool kit contains eight commercially available, 23 mm. diameter, foam swabs that can be used to aseptically collect samples while at vacuum. The swabs are individually housed in aluminum canisters that are equipped with 0.2 μm Teflon filters. These filters allow the canisters to equilibrate to pressure changes while preventing microbiological contamination. The canisters will be cleaned and sterilized before flight. Results from ground-based testing indicate that this tool kit is capable of aseptically collecting microbes while at vacuum without becoming contaminated during pressure changes(5). Based on the results of this ground testing we have modified the tool kit to meet NASA safety requirements and improve the ergonomics. We added additional mounting points to the tool kit to give astronauts more options for securing it during use. We also changed the opening mechanism to improve the precision with which swabs can be extracted from the tool kit. We plan to use this kit on an upcoming EVA to collect samples from non-propulsive vents and areas near the U.S. airlock on ISS. These samples will be frozen at -80 ̊C and stored on station until they can be returned to Earth. We will analyze these returned samples using next generation DNA sequencing to determine the community composition and function of external ISS environments. The results of this study will close planetary protection knowledge gaps for crewed missions and will help NASA determine appropriate planetary protection requirements for life support systems. The tool kit will also be useful for collecting aseptic samples on upcoming crewed or robotic missions and could easily be modified to collect samples with organic contamination control requirements as well.

A B Regberg↗

ISS External Microorganisms: A Payload to Close Planetary Protection Knowledge Gaps for Crewed Missions

Before NASA or COSPAR is able to set planetary protection requirements for crewed missions to locations like Mars there are a number of critical knowledge gaps that must be addressed (1). One of the most important knowledge gaps is an understanding of microbial leakage from crewed habitats and space suits. Current ECLSS (Environmental Control and Life Support System) and PLSS (Portable Life Support System) requirements do not include any provisions to control microbes that may escape along with vented or leaked gasses. The current generation of NASA space suits can leak at rates as high as 100 cm2 /min. during nominal operation (2). ISS (International Space Station) intentionally vents atmospheric gases like CO2 to maintain habitable conditions for the crew. Furthermore, every time an airlock is used for EVA (extravehicular activity)there is an accompanying release of internal atmosphere. Since it is not possible to sterilize a crewed mission, it is important that we understand what if any microbes are entrained in these vented and leaked products. It is also important to understand if these microbes can survive on exterior surfaces. Recent sampling of the Russian segments of ISS suggest that bacteria and fungi from inside ISS may be capable of surviving on external surfaces(3). NASA is developing an aseptic sampling tool for use during EVA and plans to collect samples from vents on ISS to build on these results. The results of this work will be used to develop planetary protection requirements for vented and leaked gasses from crewed volumes. NASA has developed and tested a tool kit for collecting microbiological samples during EVA(4). This tool kit contains eight commercially available, 23 mm. diameter, foam swabs that can be used to aseptically collect samples while at vacuum. The swabs are individually housed in aluminum canisters that are equipped with 0.2 μm Teflon filters. These filters allow the canisters to equilibrate to pressure changes while preventing microbiological contamination. The canisters will be cleaned and sterilized before flight. Results from ground-based testing indicate that this tool kit is capable of aseptically collecting microbes while at vacuum without becoming contaminated during pressure changes(5). Based on the results of this ground testing we have modified the tool kit to meet NASA safety requirements and improve the ergonomics. We added additional mounting points to the tool kit to give astronauts more options for securing it during use. We also changed the opening mechanism to improve the precision with which swabs can be extracted from the tool kit. We plan to use this kit on an upcoming EVA to collect samples from non-propulsive vents and areas near the U.S. airlock on ISS. These samples will be frozen at -80 ̊C and stored on station until they can be returned to Earth. We will analyze these returned samples using next generation DNA sequencing to determine the community composition and function of external ISS environments. The results of this study will close planetary protection knowledge gaps for crewed missions and will help NASA determine appropriate planetary protection requirements for life support systems. The tool kit will also be useful for collecting aseptic samples on upcoming crewed or robotic missions and could easily be modified to collect samples with organic contamination control requirements as well.

A B Regberg↗

MSLICE Science Activity Planner for the Mars Science Laboratory Mission

MSLICE (Mars Science Laboratory InterfaCE) is the tool used by scientists and engineers on the Mars Science Laboratory rover mission to visualize the data returned by the rover and collaboratively plan its activities. It enables users to efficiently and effectively search all mission data to find applicable products (e.g., images, targets, activity plans, sequences, etc.), view and plan the traverse of the rover in HiRISE (High Resolution Imaging Science Experiment) images, visualize data acquired by the rover, and develop, model, and validate the activities the rover will perform. MSLICE enables users to securely contribute to the mission s activity planning process from their home institutions using off-the-shelf laptop computers. This software has made use of several plug-ins (software components) developed for previous missions [e.g., Mars Exploration Rover (MER), Phoenix Mars Lander (PHX)] and other technology tasks. It has a simple, intuitive, and powerful search capability. For any given mission, there is a huge amount of data and associated metadata that is generated. To help users sort through this information, MSLICE s search interface is provided in a similar fashion as major Internet search engines. With regard to the HiRISE visualization of the rover s traverse, this view is a map of the mission that allows scientists to easily gauge where the rover has been and where it is likely to go. The map also provides the ability to correct or adjust the known position of the rover through the overlaying of images acquired from the rover on top of the HiRISE image. A user can then correct the rover s position by collocating the visible features in the overlays with the same features in the underlying HiRISE image. MSLICE users can also rapidly search all mission data for images that contain a point specified by the user in another image or panoramic mosaic. MSLICE allows the creation of targets, which provides a way for scientists to collaboratively name features on the surface of Mars. These targets can also be used to convey instrument-pointing information to the activity plan. The software allows users to develop a plan of what they would like the rover to accomplish for a given time period. When developing the plan, the user can input constraints between activities or groups of activities. MSLICE will enforce said constraints and ensure that all mission flight rules are satisfied.

Powell, Mark W.↗

Mitigate: An Adaptive Network Data Anonymization Tool Using Condensation-Based Differential Privacy

Modern network devices collect a large amount of data that can be analyzed to identify bottlenecks, anomalies, cyber-attacks, etc. Therefore, there is often a need to analyze such collections of network data quite often by an external expert or by the research community. However, these collections of data contain sensitive, proprietary information. In order for the network data to be shared, it must first be anonymized. The overall objective of this project is to develop an innovative privacy management tool to anonymize network data and achieve sufficient privacy, acceptable data utility, and efficient data analysis at the same time. No existing anonymization methods can achieve all of these at the same time. The core of this technology is a differential private clustering algorithm that provides strong privacy protection, preserves data properties important for subsequent analysis, and allows the party receiving the anonymized data to conduct analysis directly on anonymized data without the need of decryption or any extra processing. The research carried out was to design, implement and verify a solution to this problem by completing the following tasks: 1) developing the core technology; 2) developing a context based method that automatically recommends fields that must be anonymized; 3) conducted experiments showing superior results using our approach compared to existing tools, and 4) developed an intuitive but basic user interface. The research that was conducted generated novel algorithmic techniques that utilize state-of-the-art methods such as condensation, differential privacy preservation, clustering, automated tuning based on contextual awareness, and recommendation techniques to specify columns to users for anonymization leading to optimal privacy that allows research analysis on the dataset. Experiments were conducted to evaluate the efficacy of these novel algorithmic techniques by performing analysis on original non-anonymized datasets, then conducting analysis on the same yet anonymized datasets and comparing the results of the analyses. Overall, the anonymized analysis results were within 1% of the original results, verifying that the generated technology not only guarantees a high level of privacy but also enables research analysis as if it were conducted on the original dataset. Potential applications of this technology include anonymization of any type of structured network datasets that contain sensitive identifiers, such as IP addresses, that can be used in multiple applications. For example, to create an AI or machine learning model for cyber security, e.g., to detect attacks, or for performance analysis, e.g., identify bottlenecks or predict performance. In addition, a market analysis that was conducted for potential applications of this technology identified a broader range of applications of our anonymization technology beyond the network sector that includes healthcare, banking, insurance, securities, finance (FISB), data brokering, cloud services, ad sales, and government.

97 MATHEMATICS AND COMPUTING↗

Diversion Path Analysis: A Proposed Methodology to Develop an MC&A Approach for Liquid-Fueled Molten Salt Reactors

Nuclear material control and accounting (MC&A) is a critical element of both the US Nuclear Regulatory Commission (NRC) and US Department of Energy (DOE)’s domestic safeguards and security requirements. NRC licensees are required, under Title 10 of the Code of Federal Regulations (10 CFR) Part 74 to establish and maintain an MC&A program that captures and records the quantities and locations of special nuclear material (SNM) at the facility. Along with physical protection, MC&A is a key element of domestic nuclear material safeguards that enables the NRC to ensure that SNM is controlled and accounted for. SNM, per 10 CFR Part 74, refers to plutonium, 233 U, and uranium enriched in the isotope 233 U or 235 U, but does not include source material. Periodic physical inventories, coupled with material balance evaluations, are effective and demonstrated tools to account for and detect theft or diversion of SNM in facilities containing SNM in bulk material form (i.e., not in discrete, countable items). Historically in the United States, these types of facilities have included fuel fabrication, conversion, and enrichment facilities. In comparison, reactors have relied on item counting of assemblies and control of SNM while in containment (e.g., a sealed reactor pressure vessel) because, to date, reactor fuel has been in item form. In liquid-fueled molten salt reactors (MSRs), unlike traditional light water reactors (LWRs) or bulk facilities, bulk SNM quantities can change significantly during operation as a result of depletion and transmutation. This introduces challenges to the use of traditional periodic physical inventories and material balance evaluations to detect theft or diversion of SNM in reactors that use SNM in bulk material form. Liquid-fueled (i.e., salt-fueled) MSR facilities are MSRs that use SNM within a salt eutectic as the fuel. The SNM is in a bulk material form any time it is outside of fresh or spent fuel storage containers. Some examples of when SNM will be in bulk form in the facility are during addition of fuel to the reactor system, while fuel is circulating in operation, and while fuel is in a drain tank. Periodic physical inventories and material balance evaluations can likely be effectively applied to many portions of an MSR facility, including all areas where depletion and transmutation are not significantly changing the quantities of SNM within the control area. Within an MSR facility, this would include fresh fuel receipt and loading, waste streams that may contain SNM, irradiated fuel storage outside of the reactor core, and any irradiated fuel processing that may happen after SNM has been removed from the reactor. All of these process steps could rely on measurements of SNM quantities compared with documented inventories. Any discrepancies from predicted (i.e., book) inventories and measured inventories could be quantified as inventory differences, consistent with traditional MC&A guidance from the NRC (e.g., in NUREG-1065 Revision 2, NUREG-2159 Revision 1, and RG 5.29 Revision 2). Within the reactor system, additions and removals to the book inventory include depletion of the SNM (e.g., fission of 235 U), which complicates the use of physical inventories. SNM control, however, can also likely be effectively applied to detect theft of SNM throughout a liquid-fueled MSR facility. To complement these approaches, prior technical reports have identified that a diversion path analysis may be a useful, risk-informed, and performance-based tool to determine suitable elements of an MC&A approach for the reactor system within a liquid-fueled MSR facility.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Performance of Scintillation Detectors Based on Quantum Dots in a Semiconductor Matrix (Final Technical Report)

InAs Quantum Dots (QDs) embedded into GaAs semiconductor waveguide have unique scintillation properties, valuable for nuclear security, medical imaging, and high energy physics. In this work, we developed thick (~25um) epitaxial heterostructres with high luminescence efficiency composed of self-assembled nano-engineered InAs QDs grown by molecular beam epitaxy. In this type of detector, the GaAs matrix acts as a stopping material for charged particles or photons generating electrons captured by the QDs acting as luminescence centers. The QD medium is designed to provide fast capture of electrons into QDs (few ps), high QD luminescence efficiency at room temperature (>50%), and strong red-shift of photoluminescence (PL) from the GaAs absorption edge (>250nm). Typical devices consist of a 10-25um thick GaAs layer with embedded sheets of modulation p-type doped InAs QDs and an InGaAs photodetector tuned to the QD emission wavelength. The thick GaAs layer acts also as a waveguide when layer-transferred onto a low-index substrate. Waveguiding and self-absorption (~1cm -1 ) were studied using photoluminescence with scanning laser excitation and modeled with ray optics approximation and geometrical coupling of high-index waveguide to a collection fiber. Scintillating signals from α-particles were analyzed with both an external photodiode (PD) and an integrated PD which provided an improved optical coupling. In the former case, the external InGaAs PD was air-coupled to the scintillator and had the light collection efficiency of about 1% corresponding to limited light extraction through a planar interface with air due to total internal reflection. The mean charge collected by the integrated PD was in the range of (3÷5)×10 4 photoelectrons per 1 MeV of deposited energy, or ~13-20% of the theoretically achievable light yield. Timing of the integrated device was measured by wire-bonding it to the input of an 8 GHz IC. The scintillation response shows an extremely fast 0.3-0.6 ns decay constant and about 40-70 ps time resolution, limited by the system noise. The combined light yield and decay time makes the InAs/GaAs QD heterostructures the fastest high yield scintillation material reported making it valuable for high energy physics and medical imaging applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Machine Learning Based Resilience Testing of an Address Randomization Cyber Defense

Moving target defenses (MTDs) are widely used as an active defense strategy for thwarting cyberattacks on cyber-physical systems by increasing diversity of software and network paths. Recently, machine Learning (ML) and deep Learning (DL) models have been demonstrated to defeat some of the cyber defenses by learning attack detection patterns and defense strategies. It raises concerns about the susceptibility of MTD to ML and DL methods. Here, in this article, we analyze the effectiveness of ML and DL models when it comes to deciphering MTD methods and ultimately evade MTD-based protections in real-time systems. Specifically, we consider a MTD algorithm that periodically randomizes address assignments within the MIL-STD-1553 protocol—a military standard serial data bus. Two ML and DL-based tasks are performed on MIL-STD-1553 protocol to measure the effectiveness of the learning models in deciphering the MTD algorithm: 1) determining whether there is an address assignments change i.e., whether the given system employs a MTD protocol and if it does 2) predicting the future address assignments. The supervised learning models (random forest and k-nearest neighbors) effectively detected the address assignment changes and classified whether the given system is equipped with a specified MTD protocol. On the other hand, the unsupervised learning model (K-means) was significantly less effective. The DL model (long short-term memory) was able to predict the future addresses with varied effectiveness based on MTD algorithm's settings.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

LLNL Kimberlina 1.2 NUFT Simulations June 2018 (v2)

This dataset contains the output 6,000, 3-dimensional reactive multi-phase flow and transport aquifer simulations of brine and CO2 leakage into a protective aquiver in California’s San Joaquin Valley and input data files detailing the geologic mesh, aquifer physical properties and CO2 and brine injection rates. This data set was generated as an ongoing effort with the US DOE National Risk Assessment Partnership (NRAP) to evaluate the effectiveness of monitoring techniques to detect brine and CO2 leakage from legacy wells into underground sources of drinking water overlaying a CO2 storage reservoir. Each simulation contains a unique set of input parameters, generated stochastically. The outputs consist of these upper three geologic layers (from top): the Etchegoin, Macoma-Chanac, Santa Margarita-McLure formations. These simulations span the several distances (1, 3 and 6 km or wells W31-0.2, W31-0.5 and W31-1.0, respectively) from the CO2 injector, initiated from bottom hole pressure and saturation to calculate wellbore leakage from the storage reservoir, with low and high regional groundwater gradients and wellbore leakage into 5 leaky nodes. The dataset includes 1,000 unique simulations for each distance, which each contain a unique aquifer heterogeneity, aquifer and caprock permeability, and two model generations are included with a high permeability (prod07) and hybrid permeability (prod09). The range of permeability distributions is listed in Table 1. Each model generation consists of 3,000 simulations. Included in the dataset are the leakage rates determined from 2D wellbore models which utilize the pressure and CO2 saturation from LBL's reservoir simulations, NUFT mesh files with distributed lithology, NUFT rocktab files which describe the material properties for the geologic layers and the NUFT input files and post-processed output 'ntab' files. Each ntab file contains spatial (rows) and temporal (columns) model output tables for each model cell, the locations (x,y,z) and dimensions for each cells (dx, dy, dz). Table 1. Permeability distribution ranges for prod07 and prod09 model generations Geologic Layer: Permeability Range (log10 m^2) prod07 prod09 Etchegoin -12.92 to -10.92 -13.70 to -11.44 Macoma-Chanac -12.72 to -10.72 -13.50 to -11.24 Santa Margarita-McLure -12.70 to -10.70 -13.48 to -11.22 The input files used to generate the model include which are included in the dataset are: Time series of CO2 leakage input into the model (ex: Q_brn.W31-0.2.sim1000.layers123.tab) Time series of CO2 leakage input into the model (ex: Q_CO2.W31-0.2.sim1000.layers123.tab) Physical properties of the aquifer materials detailing the aquifer porosity, solid density, partitioning coefficients, permeabilities and van-Genuchten parameters detailed in a NUFT rocktab file: (ex: sim1000.usnt.rocktab) Numerical mesh and geologic data assigned to each model cell detailed in a NUFT genmsh format (ex: sim1000.mesh_k16.prod07.trans.genmsh) The primary output parameters are: pH (use absolute value) Change in TDS (mg/kg) Change in Pressure (Pa) Change CO2 gas saturation (fraction range 0.0-1.0) for example, the directory /p/lscratchh/mansoor1/nrap/kimberlina/prod09/mainfiles/sim1000/W31- 0.2 contains: sim1000.W31-0.2.trans.pH.red.ntab sim1000.W31-0.2.no_bg.trans.TDS.red.ntab sim1000.W31-0.2.usnt.P.deltabg.red.ntab sim1000.W31-0.2.usnt.CO2_sat.deltabg.red.ntab Each row in the NTAB files consist of model output per numerical grid cell. Each output file contains 33 columns (variables), including the information of numerical records, geologic location and sizes and the simulated parameter values over time. The first 13 variables are about numerical records and relative geologic information for a simulation grid: 1. index: simulation index 2. i: the ith grid of x-axis 3. j: the ith grid of y-axis 4. k: the ith grid of z-axis 5. element_ref: element reference 6. nuft_ind: nuft index 7. x: grid location in the x axis direction 8. y: grid location in the y axis direction 9. z: grid location in the z axis direction 10. dx: grid length in the x axis direction 11. dy: grid length in the y axis direction 12. dz: grid length in the z axis direction 13. volume: volume of the simulation grid The remainder (14, 15, 16...) variables are the simulated parameter values over time, take Pressure as an example, are: 14. 0.0y: initial pressure per cell. 15. 10.0y: simulated pressure at the end of the 10th year. 16. 20.0y: simulated pressure at the end of the 20th year. ... (repeated for every 10 years until 200 years)... The model extends 10,000 m, 5,000 m and 1,411 m in the x,y and z dimensions, respectively. The mesh consists of 164,832 cells with mesh dimensions of 101 x 51 x 32 (nx, ny, nz), with cell dimensions ranging from 100 m laterally (along x and y-axis) and model layers are as designated in the z-axis: Layer 1: atmosphere (1e-30 m thick) Layer 2: upper caprock (10 m thick) Layers 3-13: Etchegoin (536.23 m thck) Layers 14-27: Macoma-Chanac (679.04 m thick) Layers 28-32: Santa Margarita-McLure (185.94 m thick) The wellbore is placed along node i=51, j=26, and extends vertically along 5 nodes from the top to the bottom of the model. Special instructions when extracting files: Each Gzip archive (ex: prod07.sim1000-sim00099.tar.gz) contains 100 simulations. Gzip archives should be transferred into base directories (ie. In Linux: mkdir prod07; mv prod07.*.tar.gz prod07/.) before extracting, or files will be overwritten. Each sub-simulation tree should have the following file structure pattern (using the linux 'tree' command): |-- prod07 | |-- sim0001 | |-- W31-0.2 | | |-- Q_brn.W31-0.2.sim0001.layers123.tab | | |-- Q_co2.W31-0.2.sim0001.layers123.tab | | |-- sim0001.W31-0.2.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-0.2.trans.pH.red.ntab | | |-- sim0001.W31-0.2.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-0.2.usnt.P.deltabg.red.ntab | |-- W31-0.5 | | |-- Q_brn.W31-0.5.sim0001.layers123.tab | | |-- Q_co2.W31-0.5.sim0001.layers123.tab | | |-- sim0001.W31-0.5.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-0.5.trans.pH.red.ntab | | |-- sim0001.W31-0.5.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-0.5.usnt.P.deltabg.red.ntab | |-- W31-1.0 | | |-- Q_brn.W31-1.0.sim0001.layers123.tab | | |-- Q_co2.W31-1.0.sim0001.layers123.tab | | |-- sim0001.W31-1.0.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-1.0.trans.pH.red.ntab | | |-- sim0001.W31-1.0.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-1.0.usnt.P.deltabg.red.ntab | |-- sim0001.mesh_k16.prod07.trans.genmsh Disclaimer This document was prepared as an account of work sponsored by an agency of the United States government. Neither the United States government nor Lawrence Livermore National Security, LLC, nor any of their employees makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States government or Lawrence Livermore National Security, LLC. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States government or Lawrence Livermore National Security, LLC, and shall not be used for advertising or product endorsement purposes. Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344. This report was reviewed and released as LLNL-MI-753464.

aquifer↗

Natural Resources Assessment for the SNS Second Target Station, Oak Ridge, Tennessee

The US Department of Energy’s Oak Ridge National Laboratory (ORNL) is a leading institution in advanced materials, supercomputing, neutrons, and nuclear science. As a research laboratory managed by UT-Battelle, LLC for DOE, ORNL has national priorities in energy, security, and scientific discovery that necessitate facility improvements and expansions. DOE is also committed to environmental stewardship. The laboratory is located on the ~32,000-acre Oak Ridge Reservation (ORR), much of which is categorized as a National Environmental Research Park and a state Wildlife Management Area. DOE works with the Tennessee Wildlife Resources Agency (TWRA), Tennessee Department of Environment and Conservation (TDEC), US Fish and Wildlife Service (USFWS), US Department of Agriculture, and other agencies to serve as an effective steward of the ORR. Accordingly, project managers must conform to environmental regulations, agreements, and policies at the federal, state, and institutional levels. Per 40 CFR (Code of Federal Regulations) 1508.14, potential effects on research and science education on the National Environmental Research Park represent potential impacts of federal actions. Moreover, federal actions that affect the quantity and quality of hunting opportunities and deer reduction harvest on the Oak Ridge Wildlife Management Area must be considered whenever other aspects of the human environment (as defined by NEPA) are affected. The Spallation Neutron Source (SNS) is a premiere facility at ORNL that provides advanced capabilities in neutron scattering to promote new discoveries and research opportunities in material sciences, physics, chemistry, biological sciences, and others. A conceptual design for a Second Target Station (STS) has been in consideration for several years. The STS is intended to complement and enhance existing ORNL capabilities, notably research and exploration of complex materials. The proposed STS will involve development of existing natural areas on the ORR, which might contain sensitive resources that require mitigation or avoidance in accordance with existing policies and regulation. This report summarizes current knowledge of natural and cultural resources within the STS project area. At the time of this report, the proposed STS project consisted of an operations area comprising 55.4 acres (22.4 ha) and a total review area for potential construction comprising ~224 acres (90.6 ha). The review area is located primarily within forested natural areas of the ORR with minor development in the form of power-line rights-of-way and secondary/graveled roads (Figure 1). The primary goal was to evaluate potential effects on sensitive resources that might result from development of the STS. In addition to onthe-ground surveys during summer 2009 and fall 2019 to summer 2020 by ORNL Natural Resources Management Program and Aquatic Ecology Group staff, this report makes use of historical (pre-1995) and contemporary (1995 to present) data from additional confirmed sources (e.g., TDEC). Likewise, forest conditions were compiled primarily from a 2013 forest inventory effort for Forest Management Compartment 17 and supplemented with limited ground observations in 2019. The individuals who obtained and compiled the data that are presented here are familiar with and routinely assess sensitive resources on the ORR.

54 ENVIRONMENTAL SCIENCES↗

Bridge Seismic Screening Tool (BSST), Version 2.0

The Regional Resiliency Assessment Program (RRAP) is a cooperative assessment of specific critical infrastructure within a designated geographic area and a regional analysis of the surrounding infrastructure that addresses a range of infrastructure resilience issues that could have regionally and nationally significant consequences. In 2018, DHS’s Cybersecurity and Infrastructure Security Agency (CISA) sponsored the Oregon Transportation Systems RRAP project in coordination with the Office of the Governor (under the oversight of the state resilience officer), the Oregon Office of Emergency Management (OEM), the Oregon Department of Transportation (ODOT), and other regional stakeholders (CISA 2021). This project focuses on assessing the impacts of a Cascadia Subduction Zone (CSZ) earthquake on state transportation systems and, in particular, how those impacts may affect the ability of emergency response efforts to move supplies into the region. The intended outcome of this analysis is the prioritization of transportation routes and modes for additional planning, investment, hardening, or other activities to enhance their resilience—and therefore, to enhance their ability to support response and recovery efforts following a CSZ earthquake. An important part of this transportation system-level assessment has been to assess the seismic vulnerability of the state highway system. In doing so, the RRAP project team used the Bridge Seismic Screening Tool (BSST) to assess, at a system-level, the potential impacts that a CSZ earthquake could have on state highway bridges (Bergerson et al. 2019).1 Argonne National Laboratory (Argonne), in collaboration with the Washington State Department of Transportation (WSDOT), originally developed the BSST as part of the 2017 Washington State Transportation Systems RRAP project, a sister project to the 2018 Oregon Transportation Systems RRAP project. Argonne updated the BSST during this more recent project in Oregon based on feedback from stakeholders and subject matter experts (SMEs) on the original version of the tool. The first step in the BSST is to assess the seismic vulnerability of roadway bridges following a CSZ earthquake to determine a projected or potential damage state. Damage states then help determine approximate reopening times for bridge crossings.2 This document provides details on the BSST methodology, the implementation of that tool to analyze the projected damage incurred in a CSZ earthquake scenario, and the determination of corresponding reopening times of interstate, state highway, and local bridges following such an event.

58 GEOSCIENCES↗

The Anthropology of Aquaculture

Aquaculture is nothing new. It has a long, fascinating history that stretches from antiquity at least 8,000 years ago. What is new is the evolution of aquaculture in modern times into highly intensive monocultures which arose in the 1970–1980's. Modern aquaculture production has grown worldwide but remains concentrated in Asia due to the: (1) increased demands for aquatic foods as explosive population growth occurred in coastal cities with increasing affluence, (2) expansion of scientific and engineering breakthroughs, (3) high export values of aquatic foods, and (4) sharp decline of costs of global to local transport/shipping. The pioneering anthropologist Claude Levi-Strauss brought the idea of “structuralism” to anthropology: the concept that societies throughout history followed universal patterns of behavior. A qualitative document analysis of the key anthropological literature to assess aquaculture developments from antiquity to the beginning of the modern era was conducted to evaluate if there was adequate evidence to support a theory of anthropological “structuralism” for aquaculture in human history. Seven case studies of the cultural/environmental history of aquaculture were reviewed in diverse parts of the world (China, Australia, Egypt, Europe, South America, Canada/USA, Hawai'i). Analysis supports the structural theory that whenever the demands of aquatic/seafood-eating peoples exceeded the abilities of their indigenous fishery ecosystems to provide for them, they developed aquaculture. Modern aquaculture concepts and new communities of practice in “restoration aquaculture” have beginnings in Indigenous anthropology and archeology in aquaculture and point the way for Indigenous nations to engage as leaders of the United Nations Food and Agriculture Organization (FAO) ecosystem approach to aquaculture worldwide. Bringing ancient knowledge of Indigenous aquaculture into the modern context is an essential part of an alternative, “radical transformation” of modern aquaculture. There is an urgent need to develop and promote locally designed and culturally appropriate aquaculture systems that fit into the livelihoods of communities as part of a larger, diverse portfolio of food security.

54 ENVIRONMENTAL SCIENCES↗

Accelerated Aging Humidity Chamber for Nuclear Grade HEPA Filter Media

A unique accelerated aging humidity chamber for simulating the natural aging process of nuclear grade high efficiency particulate air (HEPA) filter media is being designed, implemented, and tested. The nuclear industry currently lacks information regarding the shelf life and service life of HEPA filter media. The Department of Energy recommends disposing of HEPA filters 10 years after the manufacture date for filters operated under dry conditions. Studies have shown the tensile strength and water repellency of HEPA filter media diminish with age. The chamber's principal function is to sustain an elevated relative humidity condition for an extended duration specified by the Arrhenius aging model. To accomplish this, various design parameters were established: (1) consistently achieve uniform humidity conditions within the chamber to equally expose media sheets, (2) ensure the chamber is sufficiently sealed to mitigate the uncontrolled infiltration of air, (3) confidently secure the media sheets to avert the introduction of unnecessary stressing/creasing, (4) fabricate the chamber from clear polycarbonate material to allow inspection of the media sheets, (5) provide a safe and ergonomic design for personnel, (6) ensure the chamber design is replicable and relatively easy to fabricate/assemble. A humidity source, fan, PID controller, humidity and temperature transmitters, and data loggers are required for proper operation and control of the chamber. The humidity source must accommodate target values up to 95% relative humidity throughout the chamber. The three humidity and temperature transmitters are strategically spaced throughout the chamber to ensure uniform conditions. The 10 cubic feet per minute (CFM) fan selected intends to accomplish the desired air change rate inside the chamber of approximately 20 air changes per hour (ACH). The 2 plenums on the upper and lower portions of the chamber utilize a perforated design to uniformly distribute air, promote air mixing, and control the air velocity entering the chamber. Industrial blueprint hanging clamps are being retrofitted to be seated within the chamber drawers and firmly secure the nuclear grade filter media. The aged media will be evaluated using autopsy methodology, and the results obtained intend to help clarify the useful life of nuclear grade HEPA filters. Nuclear grade high efficiency particulate air (HEPA) filters are defined as disposable, extended-media, dry-type filters with a rigid casing enclosing the full depth of the pleats and have a minimum particle removal efficiency of 99.97%. [1] - HEPA filters are constantly exposed to stressors and subsequently have been shown to degrade as the filter ages. Properties such as tensile strength and water repellency, along with others, are negatively impacted. [2] - Due to the scarcity of naturally aged HEPA filters available, it is crucial to develop accelerated aging methods which effectively mimic the natural degradation effects. - After accelerated aging, the filters are subject to testing in the Axial Flow Large Scale Test Stand (ALSTS) and other analysis techniques such as the same qualification tests performed directly after being manufactured. - Quality data is necessary for future decisions regarding the lifetime of nuclear grade HEPA filters. - The objective is to develop a prototype accelerated aging humidity chamber for nuclear grade HEPA filter media. The chamber should expose the media to commonly occurring stressors to expedite the degradation process caused by aging. PID yields reliable and reproducible results: - CFD model correlates well with actual performance; - Further analysis is needed to complete characterization; - Future work for the chamber is still to be completed. The data shown in Figure 5 and Table 1 indicate the system is functioning as designed. As can be determined from the system response evaluation in Table 1, the PID controller is yielding reliable and reproducible results at each set point. As the set point increases, the time constant and 20% settling time increase accordingly. From the results in Table 1, it stands to reason that the CFD model correlates well with the actual performance of the system. Each system response parameter for the 90%RH* CFD model is slightly lower than the parameters collected from the physical model tested at an equivalent set point. This is to be expected considering the inlet in the CFD model is a constant supply of water vapor, whereas the physical model uses a PID controller to monitor the amount of water vapor needed and reacts accordingly. More analysis is still to be done on the prototype chamber. A pressure test will be conducted in order to determine the hourly leak rate of the chamber. This test will involve constant air flow into the chamber until the desired pressure is reached. A uniformity test will also be conducted in order to ensure each filter medium is being exposed to equivalent relative humidity levels. This test will involve an array of humidity meters strategically oriented inside the chamber to record any possible gradients. Future work for the chamber includes dehumidification abilities, tests while fully loaded with filters, and temperature control. Once completed, the autopsy team at Institute of Clean Energy Technology will conduct necessary accelerated aging studies as needed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The Nature and State of Groundwater Contamination at the Nevada National Security Site: What Have We Learned from Decades of Groundwater Analysis? - 20337

The regulatory framework for remediating radionuclide contamination from underground nuclear testing at the Nevada National Security Site (NNSS) is based on a combination of characterization and modeling studies, monitoring, and institutional controls [1]. Currently, tritium is the largest contributor (∼90%) to the estimated 44.6 million-curie radionuclide inventory resulting from underground testing [2]. Because of its short half-life (12.32 years), its relative contribution reduces below 10% of the total radiologic inventory over the next 120 years as a result of radioactive decay. Although tritium levels are observed well above the Safe Drinking Water Act (SDWA) maximum contaminant levels (MCLs) in groundwater, other radionuclides are well below their MCLs except within the nuclear test near-field (nuclear test cavity and chimney) environment. In fact, most device-derived radionuclides are below their MCL in groundwater even in samples collected from this near-field environment. The distribution of radionuclides following the nuclear detonation greatly influences the availability of potential contaminants for groundwater transport. Tritium is initially distributed in the gas phase, later as tritiated water in steam, and finally as liquid water, and is available to groundwater transport away from the near-field environment. Other radionuclides that are mobile in groundwater are {sup 14}C, {sup 36}Cl, {sup 99}Tc, and {sup 129}I though their radiologic inventory is small when compared to tritium. Many radionuclides (e.g. U, Pu, Am) are incorporated to a significant extent into the melt glass at the bottom of the cavity and are accessible to groundwater primarily through the slow process of glass dissolution. These radionuclides are also adsorbed to the surfaces of the crushed rock within the cavity and chimney which limits their migration in groundwater. Although colloid facilitated transport of radionuclides at the NNSS has been observed [3], radionuclide concentrations decrease with time and migration distances due to desorption and colloid filtration processes. Current studies indicate that radionuclides associated with colloids are unlikely to migrate downgradient from NNSS underground nuclear tests at concentrations above the SDWA MCL [4][5]. The results of over 50 years of sampling, along with an understanding of these post detonation processes, indicate that tritium is the only contaminant of concern downgradient of testing and that even tritium will not exceed its MCL in groundwater after ∼120 years. Although other longer-lived radionuclides may continue to be released slowly from the near-field environment they will likely never reach levels exceeding their MCLs in groundwater downgradient of the NNSS. Groundwater monitoring will continue to verify these observations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Inferring fusion nuclear burnwidths with low gain photomultiplier impulse response functions

When an inertial confinement fusion implosion is compressed, it maintains thermonuclear density and temperatures for a very short time scale, about 100 ps. The Gamma Reaction History diagnostic measures the time evolution of the fusion burn, but its temporal resolution is limited by the use of a photomultiplier tube (PMT) to amplify the photon signal. Multichannel plate-based PMTs have a fast (~120 ps) full-width at half-max impulse response function (IRF), but the time scale is similar to the incoming physics signal. An analysis routine is used to remove the effect of the PMT IRF and infer the incident fusion burnwidth. With the National Ignition Facility achieving ignition and creating much brighter signals, the PMTs are run at gains three orders of magnitude lower than nominal operation. Calibration at these settings shows the PMT IRFs get ~15% wider. Taking the gain-dependent IRF can affect the inferred nuclear burnwidths by up to ~15%.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Measuring the giant radio galaxy length distribution with the LoTSS

Many massive galaxies launch jets from the accretion disk of their central black hole, but only ~10 3 instances are known in which the associated outflows form giant radio galaxies (GRGs, or giants): luminous structures of megaparsec extent that consist of atomic nuclei, relativistic electrons, and magnetic fields. Large samples are imperative to understanding the enigmatic growth of giants, and recent systematic searches in homogeneous surveys constitute a promising development. For the first time, it is possible to perform meaningful precision statistics with GRG lengths, but a framework to do so is missing. We measured the intrinsic GRG length distribution by combining a novel statistical framework with a LOFAR Two-metre Sky Survey (LoTSS) sample of freshly discovered giants. In turn, this allowed us to answer an array of questions on giants. For example, we can now assess how rare a 5 Mpc giant is compared with one of 1 Mpc, and how much larger – given a projected length – the corresponding intrinsic length is expected to be. Notably, we can now also infer the GRG number density in the Local Universe. We assumed the intrinsic GRG length distribution to be Paretian (i.e. of power-law form) with tail index ξ, and predicted the observed distribution by modelling projection and selection effects. To infer ξ, we also systematically searched the LoTSS for hitherto unknown giants and compiled the largest catalogue of giants to date. We show that if intrinsic GRG lengths are Pareto distributed with index ξ, then projected GRG lengths are also Pareto distributed with index ξ. Selection effects induce curvature in the observed projected GRG length distribution: angular length selection flattens it towards the lower end, while surface brightness selection steepens it towards the higher end. We explicitly derived a GRG’s posterior over intrinsic lengths given its projected length, laying bare the ξ dependence. We also discovered 2060 giants within LoTSS DR2 pipeline products; our sample more than doubles the known population. Spectacular discoveries include the largest, second-largest, and fourth-largest GRG known (l p = 5.1 Mpc, l p = 5.0 Mpc, and l p = 4.8 Mpc), the largest GRG known hosted by a spiral galaxy (l p = 2.5 Mpc), and the largest secure GRG known beyond redshift 1 (l p = 3.9 Mpc). We increase the number of known giants whose angular length exceeds that of the Moon from 10 to 23; among the discoveries is the angularly largest known radio galaxy in the Northern Sky, which is also the angularly largest known GRG ($\phi$ = 2°). Combining theory and data, we determined that intrinsic GRG lengths are well described by a Pareto distribution, and measured the index ξ = –3.5 ± 0.5. This implies that, given its projected length, a GRG’s intrinsic length is expected to be just 15% larger. Finally, we determined the comoving number density of giants in the Local Universe to be n GRG = 5 ± 2(100 Mpc) –3 . We developed a practical mathematical framework that elucidates the statistics of giant radio galaxy lengths. Through a LoTSS search, we also discovered 2060 new giants. By combining both advances, we determined that intrinsic GRG lengths are well described by a Pareto distribution with index ξ = –3.5 ± 0.5, and that giants are truly rare in a cosmological sense: most clusters and filaments of the Cosmic Web are not currently home to a giant. Thus, our work yields new observational constraints for analytical models and simulations featuring radio galaxy growth.

79 ASTRONOMY AND ASTROPHYSICS↗

Comparative Life Cycle Analysis of Scalable Single-Junction and Tandem Perovskite Solar Cell (PSC) Systems

Efficient, low-cost solar cells based upon perovskites have the potential to transform the US and global energy portfolio and improve energy security if they can be manufactured in an environmentally sustainable manner. However, previous life cycle analyses (LCA) of perovskite solar cells (PSC) used lab recipes to project the environmental impact of industrial PSC production – using materials and processes that may not be representative of industrial productions due to high material waste and complex synthesis – and such studies were limited to a few single-junction technologies. Thus, the goal of this project was threefold: a) to review the most promising for industrial production single-junction and tandem PSC technologies, b) to build life-cycle materials inventories that reflect scalable production of these technologies, and c) to conduct comprehensive life-cycle analysis of these technologies and compare their environmental impact with those of established commercial technologies. In response, this project identified challenges for fabrication transitioning from laboratory to sustainable industrial production, developed life-cycle inventory (LCI) data for scaling to industrial production four promising single-junction and three tandem PSC systems and produced life-cycle-investigations using, as metrics, a complete spectrum of energy, environmental and ecological impact indicators. Special focus was given to the use of lead, silver and indium in PSC. The project used the Life Cycle Assessment (LCA) methodology as standardized by the Society of Environmental Toxicology and Chemistry (SETAC), ISO standards 14040 and 14044, and the International Energy Agency PVPS Task 12 LCA guidelines. LCA allows the calculation of a number of energy and environmental and impact categories, including energy cumulative energy demand (CED), global warming potential (GWP), human toxicity potential (HTP), eco-toxicity potential (ETP), abiotic resource depletion potential (ADP), acidification potential (AP), ozone depletion potential (ODP), photochemical oxidation potential (POP), eutrophication potential (EP). In addition to those, we calculated the Energy Pay-Back Time (EPBT) and the Energy Return On Investment (EROI). We provide LCA impacts for complete perovskite PV systems – including balance of system components – installed at three irradiation levels and considering reference and future potential module efficiencies. Finally, a sensitivity analysis on perovskite lifetime has been performed, considering 10, 20 and 30 years. Contribution analysis of the impacts of each material and layer of PSC shows, that the use of Pb in metalorganic PSC does not result in significant environmental impacts as the major contributions to environmental indicators arise from the use of Ag and encapsulation materials. Solution-based PSC manufacturing was found to be less impactful to the environment than vapor-based fabrication, and roll-to-roll (RtR) printing uses less energy and generates the lowest emissions. PSC produced with RtR manufacturing could reach the same Energy Return on Energy Investment (EROI) as that of crystalline-Si PV within 12 years of life, whereas the most energy demanding spray coating on rigid substrates, would require a 20-yr life to match the EROI of 30-yr lasting silicon PV. This work lays the foundation for sustainability investigations in a comparative context of large-scale production and deployment of PSC. The results of this project have the potential to have a significant impact on the future of PV manufacturing, by providing industry, policy-makers, and academia with insights necessary to choose which, if any, lead-based solar cell life cycles are environmentally sustainable.

14 SOLAR ENERGY↗