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At least 163 records · Page 9

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DOE OSTI2018

Temperature sensitivity of soil organic carbon decomposition increased with mean carbon residence time: Field incubation and data assimilation

Abstract Temperature sensitivity of soil organic carbon ( SOC ) decomposition is one of the major uncertainties in predicting climate‐carbon (C) cycle feedback. Results from previous studies are highly contradictory with old soil C decomposition being more, similarly, or less sensitive to temperature than decomposition of young fractions. The contradictory results are partly from difficulties in distinguishing old from young SOC and their changes over time in the experiments with or without isotopic techniques. In this study, we have conducted a long‐term field incubation experiment with deep soil collars (0–70 cm in depth, 10 cm in diameter of PVC tubes) for excluding root C input to examine apparent temperature sensitivity of SOC decomposition under ambient and warming treatments from 2002 to 2008. The data from the experiment were infused into a multi‐pool soil C model to estimate intrinsic temperature sensitivity of SOC decomposition and C residence times of three SOC fractions (i.e., active, slow, and passive) using a data assimilation ( DA ) technique. As active SOC with the short C residence time was progressively depleted in the deep soil collars under both ambient and warming treatments, the residences times of the whole SOC became longer over time. Concomitantly, the estimated apparent and intrinsic temperature sensitivity of SOC decomposition also became gradually higher over time as more than 50% of active SOC was depleted. Thus, the temperature sensitivity of soil C decomposition in deep soil collars was positively correlated with the mean C residence times. However, the regression slope of the temperature sensitivity against the residence time was lower under the warming treatment than under ambient temperature, indicating that other processes also regulated temperature sensitivity of SOC decomposition. These results indicate that old SOC decomposition is more sensitive to temperature than young components, making the old C more vulnerable to future warmer climate.

Zhou, Xuhui↗

DOE OSTI2014

Poster — Thur Eve — 71: A 4D Multimodal Lung Phantom for Regmentation Evaluation

Segmentation and registration of medical imaging data are two processes that can be integrated (a process termed regmentation) to iteratively reinforce each other, potentially improving efficiency and overall accuracy. A significant challenge is presented when attempting to validate the joint process particularly with regards to minimizing geometric uncertainties associated with the ground truth while maintaining anatomical realism. This work demonstrates a 4D MRI, PET, and CT compatible tissue phantom with a known ground truth for evaluating registration and segmentation accuracy. The phantom consists of a preserved swine lung connected to an air pump via a PVC tube for inflation. Mock tumors were constructed from sea sponges contained within two vacuum-sealed compartments with catheters running into each one for injection of radiotracer solution. The phantom was scanned using a GE Discovery-ST PET/CT scanner and a 0.23T Phillips MRI, and resulted in anatomically realistic images. A bifurcation tracking algorithm was implemented to provide a ground truth for evaluating registration accuracy. This algorithm was validated using known deformations of up to 7.8 cm using a separate CT scan of a human thorax. Using the known deformation vectors to compare against, 76 bifurcation points were selected. The tracking accuracy was found to have maximum mean errors of −0.94, 0.79 and −0.57 voxels in the left-right, anterior-posterior and inferior-superior directions, respectively. A pneumatic control system is under development to match the respiratory profile of the lungs to a breathing trace from an individual patient.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2019

Four Draft Single-Cell Genome Sequences of Novel, Nearly Identical Kiritimatiellaeota Strains Isolated from the Continental Deep Subsurface

ABSTRACT The recently proposed bacterial phylum Kiritimatiellaeota represents a globally distributed monophyletic clade distinct from other members of the Planctomycetes , Verrucomicrobia , and Chlamydiae (PVC) superphylum. Here, we present four phylogenetically distinct single-cell genome sequences from within the Kiritimatiellaeota lineage sampled from deep continental subsurface aquifer fluids of the Death Valley Regional Flow System in the United States.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Performance-Portable GPU Acceleration of the EFIT Tokamak Plasma Equilibrium Reconstruction Code

This paper presents the steps followed to GPU-offload parts of the core solver of EFIT-AI, an equilibrium reconstruction code suitable for tokamak experiments and burning plasmas. For this work, we will focus on the fitting procedure that consists of a Grad–Shafranov (GS) equation inverse solver that calculates equilibrium reconstructions on a grid. We will show profiling results of the original code (CPU-baseline), as well as the directives used to GPU-offload the most time-consuming function, initially to compare OpenACC and OpenMP on NVIDIA and AMD GPUs and later on to assess OpenMP performance portability on NVIDIA, AMD and Intel GPUs. We will make a performance comparison for different spatial grid sizes and show the speedup achieved on NVIDIA A100 (Perlmutter-NERSC), AMD MI250X (Frontier-OLCF) and Intel PVC GPUs (Sunspot-ALCF). Finally, we will draw some conclusions and recommendations to achieve high-performance portability for an equilibrium reconstruction code on the new HPC architectures

GPU↗

DOE OSTI2026

matsim-agents v1.0

matsim-agents is a multi-agent AI framework for atomistic materials simulation and discovery. It orchestrates large language models (LLMs), machine-learned interatomic potentials (MLIPs), and DFT codes into a single agentic loop running on laptops and DOE leadership-class supercomputers. MULTI-AGENT ORCHESTRATION A LangGraph state machine with three nodes: a Planner that converts a natural-language research objective into structured tasks; an Executor that dispatches atomistic tools and loops until the queue is empty; and an Analyst that summarizes results into a human-readable report. State is checkpointed after every step and human-in-the-loop gates can be inserted at any edge. HYPOTHESIS-DRIVEN DISCOVERY CHAT An interactive REPL (matsim-agents chat) that couples LLM dialogue with atomistic simulation. Chemical formulas are automatically detected in conversation turns and trigger a full crystal-phase exploration: structure generation → relaxation → stability scoring → result injection back into the conversation, creating a closed hypothesis-refinement loop. CRYSTAL PHASE ENUMERATION Given a composition, the phase explorer enumerates prototypes by stoichiometry: elemental (fcc/bcc/hcp/sc/diamond), binary 1:1 (rocksalt/CsCl/zincblende/ wurtzite/fluorite/rutile), ternary 1:1:3 (cubic perovskite), ternary 1:2:4 (perovskite + spinel), quaternary 1:1:2:6 (Fm-3m double perovskite). 2-D prototypes (graphene, h-BN, MoS2 2H/1T) and multilayer stacking are also supported via --include-2d and --num-layers. SUPERCELL GENERATION AND SITE DECORATION Auto-tiling to a minimum atom count (--min-atoms), explicit NxNxN tiling (--supercell), symmetry-distinct site decorations (--n-orderings), and isotropic lattice-scale sweeps (--lattice-scales) for volume bracketing. MLFF RELAXATION AND STABILITY SCORING HydraGNN (multi-headed GNN) drives structure relaxation via ASE with FIRE, BFGS, or BFGSLineSearch. Stability output: delta-E/atom ranking across phases and a max-residual-force dynamical-stability proxy. Other MLIPs (MACE, NequIP, Orb) can be plugged in through the same interface. DFT BACKENDS Quantum ESPRESSO pw.x and VASP 6.6 are first-class labellers. Both have validated GPU builds and SLURM/PBS launchers for three DOE platforms: Frontier (AMD MI250X, ROCm), Aurora (Intel PVC, oneAPI), Perlmutter (NVIDIA A100, CUDA). QE produces ~100 binaries (pw.x, ph.x, epw.x, ...). VASP supports scf, relax, vc-relax, and vc-relax-shape run types. ACTIVE-LEARNING LOOP matsim-agents al run CONFIG.yaml drives an iterative HydraGNN-DFT loop: MD generates candidates → ensemble/MC-dropout uncertainty selects the most informative → DFT labels them in parallel inside one allocation → dataset grows → HydraGNN retrains → repeat. DFT backend is a single YAML toggle (dft.backend: vasp | qe). LLM-generated seed structures are supported (no curated POSCAR library needed). Config uses ${VAR}, ${VAR:-default}, ${VAR:?msg} shell-style substitution for cross-user/cross-site portability. LLM BACKENDS Ollama (local, default), vLLM (HPC multi-GPU serving), OpenAI, Anthropic, HuggingFace Transformers+Accelerate. Selected at runtime via flag or env var with no code changes. HPC PORTABILITY Same Python entry points run on Frontier (ROCm 7.2), Aurora (oneAPI), and Perlmutter (CUDA 12). DFT and ML stacks are never co-loaded in the same shell; they couple through the scheduler and filesystem. Advanced multi-node launchers (serve, discovery-chat, single-relaxation, active-learning, QE warm-start) are provided for all three platforms. CODABENCH COMPETITION BUNDLE A self-contained benchmark: 159 atomistic test structures across 11 material classes, 5 tasks (formation energy, forces, ML relaxation, AI-DFT relaxation, phase stability ranking), public/private leaderboard split (30/70), and four ready-to-run baselines: MACE-MP-0, HydraGNN, UMA, AllScAIP.

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗

DOE OSTI2021

The compatibility performance of fuel system elastomers with two dioxolane molecules as blends with diesel

The compatibility of 17 elastomers with two dioxolane molecules was assessed by volume change and hardness measurements. Each molecule was blended with diesel in concentrations of 0, 10, 20 and 30 wt.%. The elastomers included two fluorocarbons, six acrylonitrile butadiene rubbers (NBRs), and one each of fluorosilicone, chloroprene rubber (CR), polyurethane, styrene butadiene rubber (SBR), hydrogenated NBR (HNBR), a blend of NBR and PVC (OZO), epichlorohydrin/ ethylene oxide (ECO), ethylene propylene diene monomer (EPDM), and silicone. Specimens of each elastomer were immersed in the test fuels for a period of 4 weeks and measured for property change. Afterwards they were dried at 60°C for 20 h and remeasured. The results showed that the dioxolanes were suitable with many of the elastomers and that the performances were essentially the same for both molecules. The dioxolanes were found to either have negligible impact beyond neat diesel or they produced a small increase in swell. This minimal impact is attributed to the fact that the solubility parameters (especially those associated with polarity and hydrogen bonding) of the dioxolanes are similar to those of diesel. As a result, little change in solubility and hence swell occurred when dioxolane was added to the diesel.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

The combined effect of temperature and seawater on the compression properties of carbon fiber vinyl ester composites for sandwich structures

For naval applications, composite sandwich structures are of significant interest, and are often manufactured using thin (2 to 4 mm) composite facings made from carbon or glass fiber reinforcement, attached to a thick (25 to 50 mm) section of PVC cellular foam or balsa wood-based core materials using a suitable polymeric resin. In the present study, we focus on the hygrothermal effect on the fiber-dominated compression properties of carbon fiber reinforced vinyl ester resin based polymeric composite (CF/VE), used as “skin” for a polymeric composite sandwich material. Hygrothermal conditioning is achieved by saturating samples in simulated seawater at 40°C. Compression properties are evaluated for coupons extracted along warp and fill undergoing- no conditioning, conditioning till saturation (up to 6 months), and long-term conditioning (2 years). Sea-water saturation yields in up to 12% drop in compression strength with a further 3–4% drop resulting from long-term conditioning. No statistically significant modulus degradation is noticed due to short or long-term hygrothermal exposure. The failure mechanism of the warp extracted coupon, which fails in a splitting failure mode originating due to the delamination between the 0/90 interface, or the fill extracted coupon, which fails due to the instability caused by tow micro-buckling, remains unchanged due to combined exposure (short or long-term) of seawater and temperature. The loss in strength is attributed to the degradation of the fiber-matrix interface, which is validated via conducting single fiber push-in tests with a nominal diameter of 7 micron for conditioned and unconditioned coupons.

Engineering↗

DOE OSTI2014

The Candidate Phylum Poribacteria by Single-Cell Genomics: New Insights into Phylogeny, Cell-Compartmentation, Eukaryote-Like Repeat Proteins, and Other Genomic Features

The candidate phylum Poribacteria is one of the most dominant and widespread members of the microbial communities residing within marine sponges. Cell compartmentalization had been postulated along with their discovery about a decade ago and their phylogenetic association to the Planctomycetes, Verrucomicrobia, Chlamydiae superphylum was proposed soon thereafter. In the present study we revised these features based on genomic data obtained from six poribacterial single cells. We propose that Poribacteria form a distinct monophyletic phylum contiguous to the PVC superphylum together with other candidate phyla. Our genomic analyses supported the possibility of cell compartmentalization in form of bacterial microcompartments. Further analyses of eukaryote-like protein domains stressed the importance of such proteins with features including tetratricopeptide repeats, leucin rich repeats as well as low density lipoproteins receptor repeats, the latter of which are reported here for the first time from a sponge symbiont. Finally, examining the most abundant protein domain family on poribacterial genomes revealed diverse phyH family proteins, some of which may be related to dissolved organic posphorus uptake.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Snow Camera Photos at the Teller 27 Field Site from 2022-2023, Seward Peninsula, Alaska

Snow distribution in the Arctic is highly variable and driven by high winds and microtopography, which result in deep snow drifts and shallow scoured areas. To better understand snow drifting and scouring, 4 Reconyx HyperFire 2 game cameras were installed at the Teller 27 Watershed Field Site on the Seward Peninsula, Alaska from September 2022 to September 2023. Game cameras were installed at 4 locations across the watershed to capture pictures of snow in drift and scour areas. Three-meter tall, red PVC poles were used as snow-stakes to measure snow depth from these pictures. One photo was taken at each camera once per hour during daylight. Distances between cameras and snow stakes were measured so that snow depth can later be calculated from the pictures. This dataset contains four folders of *.jpg files from each camera and one *.kml file of camera locations.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 15-year research effort (2012-2027) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy’s Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy’s Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Specific conductivity and salinity of the Parker River, PIE LTER, Plum Island Sound MA, August-November 2022

This dataset contains specific conductivity and calculated salinity data of Parker River water at a tidal brackish wetland dominated by Typha angustifolia at the upper estuary of the Plum Island Sound in Newbury, Massachusetts (MA) within the Plum Island Ecosystems Long Term Ecological Research site (PIE LTER). Measurements were taken to evaluate temporal changes in surface water salinity in high frequency to characterize boundary conditions of soil and plant responses to changes in salinity. A PVC pipe was installed in a low elevation spot in the creek bank so that the bottom of the pipe sat on the sediment surface allowing flushing with water during flooding. Raw measurements were collected using an Onset HOBO U24-002 Saltwater Conductivity/Salinity data logger. The specific conductance and salinity measurements were corrected and calculated respectively using Onset’s HOBOware software and reference specific conductivity measurements taken in tandem with the first and last points recorded by the HOBO sensor. These reference measurements were taken using a HACH HQ14D Portable Conductivity Meter. Because of the installation design, only data one hour before and after high tide are used. Metadata files Typha_ctd_salinity_dd.csv and Typha_ctd_salinity_flmd.csv contain detailed information on data variables, sampling and QA/QC methods, and site location.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Specific conductivity and salinity of the Parker River, PIE LTER, Plum Island Sound MA, March-November 2023

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Diurnal observations of basal stem CO2 efflux in three canopy dominant trees in the central Amazon

We explored mechanisms responsible for disturbance-induced shifts in carbon metabolism in forests north of Manaus, Brazil (S2º 38' 17", W60º 09' 25"), using data from a selective logging experiment (BIONTE). BIONTE (the BIOmass and NuTrient Experiment) selective logging treatments were initiated in the mid-1980s and comprised variable removal of commercial tree (not total) species basal area (T1 =32%, T2 = 42%, T3 = 69%), and control plots with no logging (T0). Raw data including tree base diameter (Db), CO2 concentration versus time inside a static stem chamber, and wood density were used to derive stem respiration rates (Rw), wood production rates (Pw), and wood carbon use efficiency (CUE). Changes in tree base diameter (Db; measured at 1.3 m height, or above the buttresses) was used to calculate wood production for individual trees (Pw). Wood density enabled calculation of stem growth rate in the same units as stem respiration (mmol C m-2 s-1). Four trees were randomly selected from five tree growth rate classes for each treatment block, for a total of 20 trees per treatment block, or 80 trees total from the BIONTE plots. Each of the 80 trees selected for the Rw study were outfitted with dendrometer bands (da Silva et al. 2002). Stem respiration was measured using the method described in Chambers et al. (2004). Briefly, an infra-red gas analyzer (LiCor 820) was operated as a closed dynamic chamber with a flow rate of 1.0 L min-1. Polyvinyl chloride (PVC) semi-cylindrical chambers (250–400 mL) were secured to the tree stem near the dendrometer bands using nylon straps. The measurement interval spanned 1–2 min, and the CO2 flux from the stem of each tree was quantified using the enclosed stem area and slope of the stem CO2 concentration versus time.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

Glass Frit Clumping and Dusting

DWPF mixes a slurry of glass frit (Frit 418) and dilute (1.5 wt%) formic acid solution with high level waste in the Slurry Mix Evaporator (SME). There would be advantages to introducing the frit in a non-slurry form to minimize water addition to the SME, however, adding completely dry frit has the potential to generate dust which could clog filters or condensers. Prior testing with another type of frit, Frit 320, and using a minimal amount of water reduced dust generation, however, the formation of hard clumps was observed. To examine options and behavior, a TTQAP [McCabe and Stone, 2013] was written to initiate tests that would address these concerns. Tests were conducted with four types of glass frit; Frit 320, DWPF Frit 418, Bekeson Frit 418 and Multi-Aspirator Frit 418. The last two frits are chemically identical to DWPF Frit 418 but smaller particles were removed by the respective vendors. Test results on Frit Clumping and Dusting are provided in this report. This report addresses the following seven questions. Short answers are provided below with more detailed answers to follow. 1. Will the addition of a small amount of water, 1.5 wt%, to dry DWPF Frit 418 greatly reduce the dust generation during handling at DWPF? a. Yes, a small scale test showed that adding a little water to the frit greatly reduced dust generation during handling. 2. Will the addition of small amounts of water to the frit cause clumping that will impair frit handling at DWPF? a. No, not with Frit 418. Although clumps were observed to form when 1.5 wt% water was mixed with DWPF Frit 418, then compressed and air-dried overnight, the clumps were easily crushed and did not form the hardened material noted when Frit 320 was tested. 3. What is the measured size distribution of dust generated when dry frit is handled? (This affects the feasibility and choice of processing equipment for removing the dust generating fraction of the frit before it is added to the SME.) a. The size distribution for the dust removed from fresh DWPF Frit 418 while it was being shaken in a small scale LabRAM test was measured. The median size on a volume basis was 7.6 μm and 90% of the frit particles were between 1.6 and 28 μm. The mass of dust collected using this test protocol was much less than 1% of the original frit. 4. Can the dust be removed in a small number of processing steps and without the larger frit particles continuing to spall additional dust sized particles? a. Test results using a LabRAM were inconclusive. The LaRAM performs less efficient particle size separation than the equipment used by Bekeson and Multi-Aspirator. 5. What particle size of frit is expected to create a dust problem? a. The original criterion for creating a dusting problem was those particle sizes that were readily suspended when being shaken. For that criterion calculations and Microtrac size analyses indicated that particles smaller than 37 μm are likely dust generators. Subsequently a more sophisticated criterion for dust problem was considered, particle sizes that would become suspended in the air flow patterns inside the SME and possibly plug the condenser. That size may be larger than 37 μm but has not yet been determined. 6. If particles smaller than 37 μm are removed will bulk dust generation be eliminated? a. Video-taped tests were performed using three gallons each of three types of frit 418, DWPF frit, Bekeson frit and Multi-Aspirator frit. Frit was poured through air from a height of approximately eight feet into a container half filled with water. Pouring Bekeson frit or Multi-Aspirator frit generated markedly less visible dust, but there was still a significant amount, which still has the potential of causing a dust problem. 7. Can completely dry frit be poured into the SME without having dust plug the condenser at the top of the vessel? a. Because of the complexity of air currents inside the SME and the difficulty of defensible size scaling a more prototypical test will be required to answer this question. We recommend construction of a full scale mockup of the top half of the SME with a shallow basin of water at the bottom and a simulated condenser at the top. It could be made from simple materials such as PVC pipe, cardboard and clear plastic and tested with dry frit. Depending on results, this may need to be coupled with the proposed pneumatic transfer system.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2013

Advanced Test Reactor Complex Sewage Lagoon Evalua

The Advanced Test Reactor (ATR) Complex located in Butte County, Idaho at the Idaho National Laboratory (INL) has an existing evaporative wastewater system to collect and treat sanitary wastewater from the facility. The existing system includes two cells, Cell #1 has a surface area of 2.9 acres and Cell #2 has a surface area of 13.8 acres. Cell #1 incorporates a soil liner system and Cell #2 includes both a PVC geomembrane and a soil liner. In 2010, both cells were tested in accordance with Idaho Department of Environmental Quality requirements and measured seepage was within acceptable limits.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2014

Evaluation of Air Barriers for Residential Buildings

In this project we aimed to increase the knowledgebase on air barriers for residential buildings. To this end, we evaluated nine air barrier assemblies following a modified version of the ASTM E2357 Standard Test Method from the American Society for Testing and Materials. The assemblies included the eight air barrier types that are readily available in the US, even if some of these are currently mostly used in commercial construction. This decision was made because technologies that are utilized in the commercial sector may be adopted by residential builders in the future. We also followed ASTM Standard E283 to estimate the air leakage rates through flow paths that are typically found in walls before and after these were sealed following typical techniques. Assessed leakage paths included wall to foundation joints, as well as penetrations through air barrier systems due to PVC pipes, steel ducts, electrical outlets and brick ties. In addition to the gathered measurements, this report also includes recommendations and considerations on each of the air barrier types. Findings from this research will contribute to the improvement of construction practices that will help meet airtightness requirements set by building codes and programs that seek to reduce energy consumption in homes.

Air Barrier↗

DOE OSTI2015

Improved Method for the Production of Tetrahydrofuran From Biomass

Statement of the Problem: Tetrahydrofuran (THF) is a large volume, commodity chemical used as a basic building block for polyurethane stretch fibers (Spandex), other elastomers, solvents for PVC cements, pharmaceuticals, and coatings. Current THF production requires petroleum-based raw materials and significant energy inputs, representing inefficient use of petroleum resources and placing the U.S. at a manufacturing disadvantage compared to chemical manufacturers in other world areas. Pulp and paper manufacture is one of the largest industries in the U.S., representing about 6% of the manufacturing sector of the U.S. GDP. In recent decades, the pulp and paper industry has struggled with a declining market, poor profitability, and competition from other world areas, leading to the shutdown of many U.S. pulp and paper mills, and loss of U.S. employment. The production of chemicals, such as THF from pulp and paper waste hydrolysate, can provide new technologies and products from pulp and paper manufacture which can enhance industry profitability. The iCARD technology will produce and sell THF from selected pulp and paper byproduct hydrolysates without deleterious effect on ongoing pulp production of the mill. Overall Objective: The overall goal of this Small Business Innovation Research Phase II Project was to complete the research, development, and design tasks required to commercialize an innovative technology using catalytic reactive distillation to achieve process intensification for the manufacture of “green” THF from pulp mill waste hydrolysate. The new technology will benefit the U.S. pulp and paper industry by providing new technologies and products from pulp and paper manufacture, which can enhance industry profitability, and increase industry employment. Development of commercially competitive biomass based technologies will reduce consumption of scarce hydrocarbon resources, and improve long term U.S. competitiveness in global markets. Conclusions: The novel catalytic reactive distillation technology successfully demonstrated the technical and economic feasibility of the manufacture of THF production from dilute aqueous biomass solutions. New catalyst compositions were developed with catalytic activity for conversion of furfural to THF which exceed the activity of conventional catalysts by 2 to 3 orders of magnitude. The feasibility of achieving selectivity to the desired THF product approaching 100% was demonstrated. The novel catalysts also demonstrated catalyst stability far superior to conventional furfural decarbonylation catalysts. The novel technology also demonstrated the ability to produce other valuable commercial products such as tetrahydrofurfuryl alcohol, 1,5-pentanediol, 2-methyl furan, and 2-tetrahydromethylfuran as co-products with THF. Based on the use of waste pulp mill hydrolysate as the biomass raw material source, the new technology will produce THF for a total manufacturing cost less than the raw material cost for the hydrocarbon-based feed stocks for conventional THF production. Commercial Applications: Selective catalytic reactive distillation of pulp mill waste hydrolysate will allow commercial production of “green” THF from biomass feedstocks for the production of “green” elastomer fibers, and industrial solvents. The new technology will benefit the U.S. pulp and paper industry by providing new technologies and products from pulp and paper manufacture, which can enhance industry profitability, and increase industry employment. Development of commercially competitive biomass based technologies will reduce consumption of scarce hydrocarbon resources, and improve long term U.S. competitiveness in global markets.

09 BIOMASS FUELS↗

DOE OSTI2017

Endomembrane Cation Transporters and Membrane Trafficking

Multicellular, as well as unicellular, organisms have evolved mechanisms to regulate ion and pH homeostasis in response to developmental cues and to a changing environment. The working hypothesis is that the balance of fluxes mediated by diverse transporters at the plasma membrane and in subcellular organelles determines ionic cellular distribution, which is critical for maintenance of membrane potential, pH control, osmolality, transport of nutrients, and protein activity. An emerging theme in plant cell biology is that cells respond and adapt to diverse cues through changes of the dynamic endomembrane system. Yet we know very little about the transporters that might influence the operation of the secretory system in plants. Here we focus on transporters that influence alkali cation and pH homeostasis, mainly in the endomembrane/ secretory system. The endomembrane system of eukaryote cells serves several major functions: i) sort cargo (e.g. enzymes, transporters or receptors) to specific destinations, ii) modulate the protein and lipid composition of membrane domains through remodeling, and iii) determine and alter the properties of the cell wall through synthesis and remodeling. We had uncovered a novel family of predicted cation/H + exchangers (CHX) and K + efflux antiporters (KEA) that are prevalent in higher plants, but rare in metazoans. We combined phylogenetic and transcriptomic analyses with molecular genetic, cell biological and biochemical studies, and have published the first reports on functions of plant CHXs and KEAs. CHX studied to date act at the endomembrane system where their actions are distinct from the better-studied NHX (Na/K-H + exchangers). Arabidopsis thaliana CHX20 in guard cells modulate stomatal opening, and thus is significant for vegetative survival. Other CHXs ensure reproductive success on dry land, as they participate in organizing pollen walls, targeting of pollen tubes to the ovule or promoting fertilization. Based on localization and mutant analyses, we conclude that CHXs modulate the ion balance, pH or both in micro-regions of endoplasmic reticulum, endosomes and prevacuolar compartment (PVC), and so influence membrane trafficking and signaling resulting in proper osmoregulation in guard cells and seed formation. We also demonstrated for the first time that AtKEA2 associates with chloroplasts, especially at the two poles of developing plastids. These results show that AtKEA1 and AtKEA2 transporters in specific microdomains of the inner envelope link local osmotic, ionic, and pH homeostasis to plastid division and thylakoid membrane formation. The first 3-D structure model of AtCHX was generated, and architecture-directed mutagenesis identified critical residues of the transport core giving insights to the transport mode of this family. Thus we have revealed for the first time crucial roles of an unknown K + /H + transport family on plant growth (KEA), gas exchange, pollen cell wall, and different phases of reproduction (CHXs). The dynamic endomembrane of plant cells is integral to cytokinesis, cell expansion, defense, and cell wall formation, thus these studies are directly relevant to the mission of the Department of Energy and to a better understanding of determinants for enhancing plant biomass and plant tolerance to abiotic stress.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

ATLOG Modeling of Buried Cables from the November 2016 HERMES Electromagnetic Pulse Experiments

This report compares ATLOG modeling results for the response of a finite-length dissipative buried conductor interacting with a conducting ground to a measurement taken November 2016 at the High-Energy Radiation Megavolt Electron Source (HERMES) facility. We use the ATLOG frequency-domain method based on transmission line theory. Estimates of the impedance per unit length and admittance per unit length for a cable laying in a PVC pipe embedded in a concrete block are reported. Current wave shapes from both a single conductor and composite differential mode and antenna mode arrangements are close to those observed in the experiments.

42 ENGINEERING↗