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At least 829 records · Page 46

Vision and Development of a Design, Implementation, and Verification Automation (DIVA) Software Platform for DNA Construction

Abstract DNA construction, while a prerequisite to many biological endeavors, is often a time-consuming distraction from an individual’s primary research objectives. We envisioned that with the right software infrastructure and cultural mindset, a single person could execute in parallel the batched DNA construction tasks of an entire research institute, at scales realizing efficiency gains through process and laboratory automation. In pursuit of this vision, we developed the Design, Implementation, and Verification Automation (DIVA) software platform. DIVA’s web interface enables researchers to design DNA constructs (using visual biological computer-aided design tools and biological parts repositories), submit designs for construction to dedicated staff, and track DNA construction as it progresses. DIVA supports the dedicated staff through the DNA construction process and records both successful and unsuccessful attempts toward improving the overall process. The platform is publicly available at public-diva.jbei.org and its open-source code through github.com/JBEI/DIVA.

Plahar, Hector [DOE Agile BioFoundry , , ,; DOE Jo↗

Integrated Oxygen Production and CO 2 Separation through Chemical Looping Combustion with Oxygen Uncoupling (Final Report)

The project "Integrated Oxygen Production and CO 2 Separation through Chemical Looping Combustion with Oxygen Uncoupling" focused on advancing fluidized bed chemical looping combustion technology to semi-pilot scale. An important aspect of technology scale-up is production of well-performing oxygen carrier materials economically and at a scale sufficient for industrial-scale systems. Under this program, a new technique for oxygen carrier production was developed and a prototype system capable of producing up to 150 lb per batch of oxygen carrier was constructed. Chemical looping combustion testing was performed in a large process development unit designed for operation at more than 200 kW using coal as fuel. Complementary evaluation of carbon conversion pathways was conducted and quantitative analysis of the fate of carbon in a CLOU-based chemical looping system was performed. As an aid for design, optimization, troubleshooting and scale-up, robust CFD models for fluidized bed chemical looping combustion systems were developed.

01 COAL, LIGNITE, AND PEAT↗

Report on Updated Properties Handbook of Printed Stainless Steel 316

This report focuses on summarizing mechanical behavior of 316H stainless steel (SS) printed using laser powder bed fusion (LPBF). 316H SS is one of the six alloys that has been qualified for use in nuclear reactors. The Advanced Materials and Manufacturing Technologies (AMMT) program has identified the use of the additive manufacturing (AM) process of LPBF as one of the manufacturing modalities to fabricate components for nuclear applications. Unlike wrought material, AM material displays significant heterogeneity in properties, resulting from changes in process parameters, machine-to-machine variability, and minor changes in feedstock chemistry from one batch to another. Although significant work has been done on 316L SS in the literature and has been summarized in several review papers, very limited data exist on 316H SS. Therefore, this report aims to provide a concise summary of the properties of 316H SS printed using different machines and at different locations as a part of the AMMT program.

36 MATERIALS SCIENCE↗

High Temperature Transfer Molding Resins: Status of PETI-298 and PETI-330

Two phenylethynyl terminated oligomers designated PETI-298 and PETI-330 were developed at the NASA Langley Research Center and have emerged as leading candidates for composite applications requiring high temperature performance (i.e. greater than or equal to 288 C for 1000 hours) combined with the ability to be readily processed into composites without the use of an autoclave or complex/lengthy cure or post-cure cycle. These high performance/high temperature composites are potentially useful on advanced aerospace vehicles in structural applications and as aircraft engine components such as inlet frames and compressor vanes. The number designation (i.e. 298, 330) refers to the glass transition temperature in degrees Celsius as determined on neat resin cured for 1 hour at 371 C. The resins are processable by non-autoclave techniques such as resin transfer molding (RTM), vacuum assisted RTM (VARTM) and resin infusion (RI). Both resins exhibit low complex melt viscosities (0.1-10 poise) at 280 C and are stable for greater than or equal to 2 hours at this temperature. Typically, the resins are melted, de-gassed and infused or injected at 280 C and subsequently cured at 371 C for 1-2 hours. Virtually no volatiles are evolved during the cure process. The resin synthesis is straightforward and has been scaled-up to 25 kg batches. The chemistry of PETI-298 and PETI-330 and the RTM AS-4 and T-650 carbon fabric laminate properties, and those of BMI-5270 for comparison, are presented.

Connell, John W.↗

Laboratory and Field Investigations of In-Situ Remediation of Cr(VI) in the LANL Regional Aquifer - 18683

Two biogeochemical in-situ remediation strategies are currently being evaluated to help manage a Cr(VI) plume present in deep groundwater beneath Los Alamos National Laboratory. The first is the addition of a chemical reductant, sodium dithionite, and the second is the use of a bio-stimulant, molasses. This paper summarizes the results to date of laboratory and field investigations of the effectiveness of these two amendments in the Los Alamos aquifer. A semi-empirical model based on the results of laboratory batch and column experiments has been developed to describe dithionite reactions and subsequent cation exchange processes in the aquifer. The model is being used to predict the effective 'reach' of dithionite in field deployments, and so far the predictions of the model are consistent with observations in a field push-pull test involving dithionite. Contrary to what has been frequently assumed, the laboratory data suggest that the resulting Cr(VI) reduction capacity depends more strongly on the amount of dithionite consumed than on the amount of iron reduced during the treatment, and an empirical approach is being used to predict reduction capacity generated in the field test. Laboratory experiments have demonstrated a robust ability of molasses to promote biomass growth that imparts significant Cr(VI) reduction capacity to sediments. Molasses has been deployed in a field push-drift test (no active pumping) in a well in which the aquifer Darcy velocity is known to be high. To date, the molasses has not drifted out of the injection well, so it has not been possible to make comparisons with laboratory experiments. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Results Of Hg Speciation Testing On DWPF SMECT-1, SMECT-3, And SMECT-5 Samples

The Savannah River National Laboratory (SRNL) was tasked with preparing and shipping samples for Hg speciation by Eurofins Frontier Global Sciences, Inc. in Seattle, WA on behalf of the Savannah River Remediation (SRR) Mercury Task Team. The thirteenth shipment of samples was designated to include Defense Waste Processing Facility (DWPF) Slurry Mix Evaporator Condensate Tank (SMECT) from Sludge Receipt and Adjustment Tank (SRAT) Batch 736 and 738 samples. Triplicate samples of each material were prepared for this shipment. Each replicate was analyzed for seven Hg species: total Hg, total soluble (dissolved) Hg, elemental Hg [Hg(0)], ionic (inorganic) Hg [Hg(I) and Hg(II)], methyl Hg [CH 3 Hg-X, where X is a counter anion], ethyl Hg [CH 3 CH 2 -Hg-X, where X is a counter anion], and dimethyl Hg [(CH 3 ) 2 Hg]. The difference between the total Hg and total soluble Hg measurements gives the particulate Hg concentration, i.e. Hg adsorbed to the surface of particulate matter in the sample but without resolution of the specific adsorbed species. The average concentrations of Hg species in the aqueous samples derived from Eurofins reported data corrected for dilutions performed by SRNL are tabulated.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Effects of Bioreactor Retention Time on Aerobic Microbial Decomposition of CELSS Crop Residues

The focus of resource recovery research at the KSC-CELSS Breadboard Project has been the evaluation of microbiologically mediated biodegradation of crop residues by manipulation of bioreactor process and environmental variables. We will present results from over 3 years of studies that used laboratory- and breadboard-scale (8 and 120 L working volumes, respectively) aerobic, fed-batch, continuous stirred tank reactors (CSTR) for recovery of carbon and minerals from breadboard grown wheat and white potato residues. The paper will focus on the effects of a key process variable, bioreactor retention time, on response variables indicative of bioreactor performance. The goal is to determine the shortest retention time that is feasible for processing CELSS crop residues, thereby reducing bioreactor volume and weight requirements. Pushing the lower limits of bioreactor retention times will provide useful data for engineers who need to compare biological and physicochemical components. Bioreactor retention times were manipulated to range between 0.25 and 48 days. Results indicate that increases in retention time lead to a 4-fold increase in crop residue biodegradation, as measured by both dry weight losses and CO2 production. A similar overall trend was also observed for crop residue fiber (cellulose and hemicellulose), with a noticeable jump in cellulose degradation between the 5.3 day and 10.7 day retention times. Water-soluble organic compounds (measured as soluble TOC) were appreciably reduced by more than 4-fold at all retention times tested. Results from a study of even shorter retention times (down to 0.25 days), in progress, will also be presented.

Strayer, R. F.↗

Plant-Scale Concentration Column Designs for SHINE Target Solution Utilizing AG 1 Anion Exchange Resin

Argonne is assisting SHINE Medical Technologies (SHINE) in their efforts to develop SHINE, an accelerator-driven process that will utilize a uranyl-sulfate solution for the production of fission product Mo-99. An integral part of the process is the development of a column for the separation and recovery of Mo-99, followed by a concentration column to reduce the product volume from 15-25 L to <1 L. Argonne has collected data from batch studies and breakthrough column experiments to utilize the VERSE (Versatile Reaction Separation) simulation program (Purdue University) to design plant-scale product recovery and concentration processes.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Optimization of a Lithium Ion Battery Bioleaching Process Utilizing Organic Acids Produced by Gluconobacter oxydans

Growing our global economic and environmental focus relies, in part, on our development of a sustainable system to recycle valuable metals. This endeavor to recycle these elements falls within the scope of Idaho National Laboratories (INL) mission to pursue new sustainable energy systems that are competitive. To succeed in this endeavor in not only a low-cost but environmentally safe practice, Gluconobacter oxydans was utilized for its ability to produce a bio-lixiviant known for its critical material leaching abilities. G. oxydans is a rod-shaped, gram negative, acidophilic, and obligately aerobic organism. Unlike many other aerobic organisms, it does not completely oxidize its carbon sources to water and carbon dioxide. Instead it incompletely oxidizes its substrates to aldehydes, ketones and organic acids. Because of this metabolic pathway, it was utilized in a batch reactor setting to produce sufficient amounts of a low-pH bio-lixiviant so that leaching processes could be performed on lithium ion battery cathode powders. Some of these processes included adding different molar ratios of a redox agent to the produced bio-lixiviant, alternating concentrations of lithium ion battery cathode powders, varying leaching time, and changing the temperature each leach was performed at. From this, a biohydrometallurgy process was successfully created for the leaching of cobalt from lithium ion cathode powders This project provided a multitude of laboratory and research experiences that resulted in ample opportunity for professional and personal growth. In addition to this, the INL experience fostered the development of many personal skills and business skills to assist in future career opportunities.

25 ENERGY STORAGE↗

Evolution of AISI 304L stainless steel part properties due to powder recycling in laser powder-bed fusion

Selective laser melting (SLM) is a powder-bed fusion process in Additive Manufacturing (AM) that uses a laser beam to selectively fuse layers of powder into near net-shape components with little porosity. However, inconsistencies in the part properties due to the presence of defects in as-built components has hindered the widespread adoption of SLM for industrial applications forcing researchers to study the sources of variation for quality control purposes. A critical area suspected of creating variation in the part properties is the feedstock, where batch-to-batch differences as well as changes in the powder properties with reuse have the potential to affect performance. During processing, laser spatter and condensate eject from the melt pool and deposit into the powder-bed surrounding the parts. These particulates, more commonly known as ejecta, differ morphologically and chemically from the virgin powder compromising its reusability. In this study, 304L stainless steel powder was recycled for a total of 5 times through a systematic approach aimed at accelerating powder degradation to reveal the influence on both the tensile and impact toughness properties. Through analysis of variance (ANOVA), it was found that tensile properties did not change with reuse, while the impact toughness showed a steady decline illustrating the differences in static and dynamic part properties due to powder recycling.

36 MATERIALS SCIENCE↗

Advancing continuous enzymatic hydrolysis for improved biomass saccharification

Background: A deployable, continuous enzymatic hydrolysis (CEH) process can address cost and commercialization risks associated with second-generation (Gen2) biorefinery sugar/lignin/ethanol production while contributing to energy supply and security. Developments in commercial enzymatic hydrolysis formulations targeting Gen2 pretreated biomass such as deacetylated mechanically refined (DMR) biomass necessitate a reassessment of the existing hybrid simultaneous saccharification and fermentation (SSF) approach. Notably, the practice of "finishing hydrolysis" in SSF has become problematic with the introduction of oxidative enzymes, such as lytic polysaccharide monooxygenases (LPMOs), into commercial cellulase formulations as these require specific redox conditions and cofactor. Moreover, continuous SSF has not been demonstrated at commercial scale, limiting deployment and the associated economic benefits to farmers, producers, and support industries. Results: Continuous enzymatic hydrolysis (CEH) was demonstrated at bench scale to enable optimal saccharification performance of deacetylated mechanically refined (DMR) pretreated biomass. Diafiltration was demonstrated to retain pretreated biomass solids and enzymes for continuous reaction while removing solubilized product sugars in situ. A significant breakthrough afforded by the CEH process is its ability to achieve equivalent endpoint conversions with approximately 50% lower enzyme loading. Yields of glucose and xylose were increased ~ 15% and ~ 4%, respectively, over batch hydrolysis. Unlike SSF using yeast or Zymomonas, CEH allows precise optimization of pH, temperature, oxygen tension, LPMO mediator concentration, and removal of end-product inhibitors. Conclusions: Advanced CEH holds promise as a transformational, process-intensified, and cost-effective method for producing soluble clarified biomass sugars and insoluble lignin-rich streams. Enhancing saccharification performance, optimizing operating parameters, and employing membrane filtration will help overcome existing challenges and enable the efficient production of valuable biomaterials from lignocellulosic biomass.

09 BIOMASS FUELS↗

A dimensionless number for high-throughput design of multi-principal element alloys in directed energy deposition

The present study demonstrates the development of a dimensionless number to predict the build height in the additive manufacturing technique of directed energy deposition (DED). The build height can also be used to estimate the dendrite arm spacing and, thus, the cooling rate in the fabrication of samples. A baseline sample, 316L stainless steel, was used to fit the build height to the dimensionless number. A range of process parameters, including laser power, laser feed rate, powder flow rate, layer thickness, and hatch spacing, were varied. Based upon dendrite arm spacing, the estimated cooling rate varied between 102 and 104 K/s. Using the fitted relationship for the stainless steel, high-throughput (HT) processing of multi-principal element alloys (MPEAs) was performed. For this study, HT is the ability to fabricate a batch of 25 bulk samples (∼1 cm3) with different compositions within a 5-h period with ±10 at. % accuracy. A range of compositions using in situ alloying of elemental powders in the Fe–Ni–Cr–Mo system were made. The MPEAs' build height followed the same relationship to the dimensionless number as the 316L alloy. The dimensionless number predicts both macro and meso-scale features in HT processing, thus offering a design tool for choosing process parameters in DED additive manufacturing. Also, the ability to control or increase cooling rates can enhance the ability to promote metastability as well as control meso-scale chemical distributions of alloy samples.

Islam, Zahabul (ORCID:0000000169613209)↗

SU-E-T-531: Performance Evaluation of Multithreaded Geant4 for Proton Therapy Dose Calculations in a High Performance Computing Facility

Purpose: To evaluate the efficiency of multithreaded Geant4 (Geant4-MT, version 10.0) for proton Monte Carlo dose calculations using a high performance computing facility. Methods: Geant4-MT was used to calculate 3D dose distributions in 1×1×1 mm3 voxels in a water phantom and patient's head with a 150 MeV proton beam covering approximately 5×5 cm2 in the water phantom. Three timestamps were measured on the fly to separately analyze the required time for initialization (which cannot be parallelized), processing time of individual threads, and completion time. Scalability of averaged processing time per thread was calculated as a function of thread number (1, 100, 150, and 200) for both 1M and 50 M histories. The total memory usage was recorded. Results: Simulations with 50 M histories were fastest with 100 threads, taking approximately 1.3 hours and 6 hours for the water phantom and the CT data, respectively with better than 1.0 % statistical uncertainty. The calculations show 1/N scalability in the event loops for both cases. The gains from parallel calculations started to decrease with 150 threads. The memory usage increases linearly with number of threads. No critical failures were observed during the simulations. Conclusion: Multithreading in Geant4-MT decreased simulation time in proton dose distribution calculations by a factor of 64 and 54 at a near optimal 100 threads for water phantom and patient's data respectively. Further simulations will be done to determine the efficiency at the optimal thread number. Considering the trend of computer architecture development, utilizing Geant4-MT for radiotherapy simulations is an excellent cost-effective alternative for a distributed batch queuing system. However, because the scalability depends highly on simulation details, i.e., the ratio of the processing time of one event versus waiting time to access for the shared event queue, a performance evaluation as described is recommended.

60 APPLIED LIFE SCIENCES↗

Scalable deep text comprehension for Cancer surveillance on high-performance computing

Background: Deep Learning (DL) has advanced the state-of-the-art capabilities in bioinformatics applications which has resulted in trends of increasingly sophisticated and computationally demanding models trained by larger and larger data sets. This vastly increased computational demand challenges the feasibility of conducting cutting-edge research. One solution is to distribute the vast computational workload across multiple computing cluster nodes with data parallelism algorithms. In this study, we used a High-Performance Computing environment and implemented the Downpour Stochastic Gradient Descent algorithm for data parallelism to train a Convolutional Neural Network (CNN) for the natural language processing task of information extraction from a massive dataset of cancer pathology reports. We evaluated the scalability improvements using data parallelism training and the Titan supercomputer at Oak Ridge Leadership Computing Facility. To evaluate scalability, we used different numbers of worker nodes and performed a set of experiments comparing the effects of different training batch sizes and optimizer functions.Results: We found that Adadelta would consistently converge at a lower validation loss, though requiring over twice as many training epochs as the fastest converging optimizer, RMSProp. The Adam optimizer consistently achieved a close 2nd place minimum validation loss significantly faster; using a batch size of 16 and 32 allowed the network to converge in only 4.5 training epochs.Conclusions: We demonstrated that the networked training process is scalable across multiple compute nodes communicating with message passing interface while achieving higher classification accuracy compared to a traditional machine learning algorithm.

Qiu, John X.↗

Process optimization of caustic scrubber and iodine-129 immobilization in sodalite-based waste forms

Caustic scrubbers are proposed to remove vaporized iodine from nuclear fuel reprocessing plants. Resulting caustic slurries of radioactive iodine ( 129 I) and other anions can be captured and immobilized into the cage structures of sodalite-type minerals. Here, mixed anion sodalites were hydrothermally synthesized from a simulated caustic scrubber solution containing hydroxide/water, carbonate, chlorine, bromine, iodine, nitrate, and nitrite ions with added kaolinite. Experiments were conducted with twenty-five different sets of process conditions. Resulting powders were characterized by quantitative X-ray diffraction (XRD) and multi-functional thermal analysis, including gravimetry, calorimetry, and mass spectrometry. Using statistical analysis, process variables were tailored to maximize conversion of kaolinite into cage silicates, immobilize caustic scrubber anions, and minimize amorphous content. Further, chemical analysis showed the incorporation of all the targeted ions into the solids. Detailed investigation of a batch characterized after washing (creating secondary waste) and one without washing but subsequent calcination is given. This work contributes to defining the constraints required for subsequent consolidation process steps of the waste form to avoid volatilization.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Preshaping clear glass at low temperatures

Advances in available glass chemistries and glass processing methods have accompanied and enabled some of the biggest technology revolutions, from the development and mass production of light bulbs to low-loss fiber optics and durable smartphone touchscreens. An emerging generation of low-temperature processing technologies aims to continue this important trend and make a broader array of glass components mass producible. In the issue, Mader et al. (1) describe one such innovation in glass processing—the use of low-temperature injection molding to preshape silica particle–filled composites that can later be transformed into transparent fused silica glass objects. Traditionally, transparent glass objects are manufactured in high volume from molten or softened glass, which is floated, drawn, blown, cast, or blow-molded to a desired shape (see the figure, top). The glass composition and processing technique dictate the working temperature, which is usually quite high (near 1000°C) and often restricts the choice of compatible equipment or limits the choice of glass composition. Because geometry-specific capital investment is required for production, drastic or frequent component design changes or small batches may be cost prohibitive. Alternatively, transparent glass components can also be shaped at ambient temperature from solid glass by a series of subtractive processes, including cutting or multiple stages of grinding, followed by slower processing steps, such as polishing or etching. This approach is somewhat less amenable to mass production, and certain geometries containing tool-inaccessible regions cannot be fabricated in this way. Several emerging glass-shaping technologies aim to reduce the required manufacturing temperatures and still provide access to a broader range of glass compositions and component geometries (see the figure). These approaches use a three-step process. First, a desired shape is preformed at low temperature from a glass-forming, organic-inorganic composite. Next, the preform is dried, and organic materials used to bind particles are removed. Finally, the preform is heated (sintered) well below the glass-melting temperature to densify to transparent glass. Although the second and third steps do occur at increased temperatures, only standard, geometry-agnostic driers and furnaces are required. This strategy builds on the well-studied sol-gel approach to forming monolithic glass, where silica network–forming chemical solutions are poured into molds, slowly dried, and condensed into dense glass without melting (2). In a departure from the sol-gel process, these new technologies use solvents, cross-linkers, and polymers to formulate organic-inorganic composites tuned for compatibility with a particular shaping process, with formats ranging from photocurable liquids to shear-thickening pastes to solids. The composite inorganic loadings are also typically higher than those in the pure sol-gel approach, which drastically reduces shrinkage in comparison.

36 MATERIALS SCIENCE↗

Automation of orbit determination functions for National Aeronautics and Space Administration (NASA)-supported satellite missions

The Flight Dynamics Facility (FDF) at Goddard Space Flight Center (GSFC) provides spacecraft trajectory determination for a wide variety of National Aeronautics and Space Administration (NASA)-supported satellite missions, using the Tracking Data Relay Satellite System (TDRSS) and Ground Spaceflight and Tracking Data Network (GSTDN). To take advantage of computerized decision making processes that can be used in spacecraft navigation, the Orbit Determination Automation System (ODAS) was designed, developed, and implemented as a prototype system to automate orbit determination (OD) and orbit quality assurance (QA) functions performed by orbit operations. Based on a machine-resident generic schedule and predetermined mission-dependent QA criteria, ODAS autonomously activates an interface with the existing trajectory determination system using a batch least-squares differential correction algorithm to perform the basic OD functions. The computational parameters determined during the OD are processed to make computerized decisions regarding QA, and a controlled recovery process isactivated when the criteria are not satisfied. The complete cycle is autonomous and continuous. ODAS was extensively tested for performance under conditions resembling actual operational conditions and found to be effective and reliable for extended autonomous OD. Details of the system structure and function are discussed, and test results are presented.

Mardirossian, H.↗

Automation of orbit determination functions for National Aeronautics and Space Administration (NASA)-supported satellite missions

The Flight Dynamics Facility (FDF) at Goddard Space Flight Center (GSFC) provides spacecraft trajectory determination for a wide variety of National Aeronautics and Space Administration (NASA)-supported satellite missions, using the Tracking Data Relay Satellite System (TDRSS) and Ground Spaceflight and Tracking Data Network (GSTDN). To take advantage of computerized decision making processes that can be used in spacecraft navigation, the Orbit Determination Automation System (ODAS) was designed, developed, and implemented as a prototype system to automate orbit determination (OD) and orbit quality assurance (QA) functions performed by orbit operations. Based on a machine-resident generic schedule and predetermined mission-dependent QA criteria, ODAS autonomously activates an interface with the existing trajectory determination system using a batch least-squares differential correction algorithm to perform the basic OD functions. The computational parameters determined during the OD are processed to make computerized decisions regarding QA, and a controlled recovery process is activated when the criteria are not satisfied. The complete cycle is autonomous and continuous. ODAS was extensively tested for performance under conditions resembling actual operational conditions and found to be effective and reliable for extended autonomous OD. Details of the system structure and function are discussed, and test results are presented.

Mardirossian, H.↗