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DOE OSTI2023

Integration of Experimental Hydroprocessing and FCC Data with Process (Aspen Plus) and Refinery Optimization (Aspen PIMS) Models

NREL's Economic, Sustainability, and Market Analysis (ESMA) team develops process models in Aspen Plus to support techno-economic analysis (TEA) and life-cycle assessment (LCA) of conversion pathways from renewable and circular resources to fuels and chemicals. These tools are being applied to assess probable operational constraints or bottlenecks associated with refinery co-processing and repurposing opportunities. The team also utilizes optimizable refinery models to quantify opportunities for biofuel and bioproduct pathways through integration with existing refining infrastructure. The goals of analysis are to model the transition of refineries to renewable and circular feedstocks and quantify the costs production and CO2 abatement through utilization of existing refineries. At the core of the ESMA team's work is the process data derived from conversion experiments on hydroprocessing and fluid catalytic cracking performed at NREL. The objective of this presentation is to highlight new analysis approaches and capabilities in pathway analysis and refinery optimization modeling with specific emphasis on integration of experimental data.

BIOMASS FUELS,ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS1993

Total quality management: It works for aerospace information services

Today we are in the midst of information and 'total quality' revolutions. At the NASA STI Program's Center for AeroSpace Information (CASI), we are focused on using continuous improvements techniques to enrich today's services and products and to ensure that tomorrow's technology supports the TQM-based improvement of future STI program products and services. The Continuous Improvements Program at CASI is the foundation for Total Quality Management in products and services. The focus is customer-driven; its goal, to identify processes and procedures that can be improved and new technologies that can be integrated with the processes to gain efficiencies, provide effectiveness, and promote customer satisfaction. This Program seeks to establish quality through an iterative defect prevention approach that is based on the incorporation of standards and measurements into the processing cycle. Four projects are described that utilize cross-functional, problem-solving teams for identifying requirements and defining tasks and task standards, management participation, attention to critical processes, and measurable long-term goals. The implementation of these projects provides the customer with measurably improved access to information that is provided through several channels: the NASA STI Database, document requests for microfiche and hardcopy, and the Centralized Help Desk.

Erwin, James↗

NASA NTRS1993

Total quality management - It works for aerospace information services

Erwin, James↗

DOE OSTI2022

Packet router with virtual channel hop buffer control

An integrated circuit includes a network on chip (NOC) that includes a plurality of processing elements and a plurality of NOC nodes, interconnected to the plurality of processing elements. The integrated circuit includes logic that is configured to: increment by one, a virtual channel identifier to produce an incremented destination VC identifier, the virtual channel (VC) identifier associated with at least portion of a packet stored in at least one virtual channel buffer; determine that a destination virtual channel buffer corresponding to the incremented destination VC identifier in a destination NOC node in the NOC is available to store the portion of the packet; and in response to the determination, send the portion of the packet and the incremented destination VC identifier to the destination NOC node.

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

NASA's Identified Risk of Adverse Outcomes due to Inadequate Human Systems Integration Architecture

The NASA Human System Risk Board (HSRB) is responsible for tracking the evolution of the top ~30 human system risks identified to be associated with human spaceflight. As part of this process, the Board is charged with maintaining a consistent, integrated process to evaluate those risks and developing evidence-based risk posture recommendations. Risks are ranked by likelihood and consequence. Intermediate causal relationships between risk contributing factors and countermeasures that link hazards to outcomes are described using Directed Acyclic Graphs (DAGs). The DAGs are also useful for identifying common factors and countermeasures across the top 30 risks as well as communicating how astronaut exposure to spaceflight hazards leads to meaningful mission-level health and performance outcomes. One of the top risks tracked by the HSRB is The Risk of Adverse Outcomes Due to Inadequate Human-Systems Integration Architecture (HSIA). This risk captures the possibility that due to decreasing real-time ground support during missions beyond LEO, crew will be unable to adequately respond to unanticipated critical malfunctions or detect safety-critical procedural errors. The HSIA risk is ranked red (high) for Lunar surface and Mars missions due to the probability of Loss of Crew and Loss of Mission consequences. This paper describes the evidence that supports the HSIA risk ranking and presents the central narrative of the HSIA risk DAG-- i.e., anomaly detection, diagnosis, intervention, and task performance. Characterizations of the current state of practice for each of the DAG’s central nodes and the future tools needed for successful anomaly response are provided.

human-systems integration architecture↗

DOE OSTI2016

Fully CMOS-compatible titanium nitride nanoantennas

CMOS-compatible fabrication of plasmonic materials and devices will accelerate the development of integrated nanophotonics for information processing applications. Using low-temperature plasma-enhanced atomic layer deposition (PEALD), we develop a recipe for fully CMOS-compatible titanium nitride (TiN) that is plasmonic in the visible and near infrared. Films are grown on silicon, silicon dioxide, and epitaxially on magnesium oxide substrates. By optimizing the plasma exposure per growth cycle during PEALD, carbon and oxygen contamination are reduced, lowering undesirable loss. We use electron beam lithography to pattern TiN nanopillars with varying diameters on silicon in large-area arrays. In the first reported single-particle measurements on plasmonic TiN, we demonstrate size-tunable darkfield scattering spectroscopy in the visible and near infrared regimes. Finally, the optical properties of this CMOS-compatible material, combined with its high melting temperature and mechanical durability, comprise a step towards fully CMOS-integrated nanophotonic information processing.

36 MATERIALS SCIENCE↗

DOE OSTI2021

An Integrative Model for Soil Biogeochemistry and Methane Processes. II: Warming and Elevated CO 2 Effects on Peatland CH 4 Emissions

Peatlands are one of the largest natural sources for atmospheric methane (CH 4 ), a potent greenhouse gas. Climate warming and elevated atmospheric carbon dioxide (CO 2 ) are two important environmental factors that have been confirmed to stimulate peatland CH 4 emissions; however, the mechanisms underlying enhanced emissions remain elusive. A data-model integration approach was applied to understand the CH 4 processes in a northern temperate peatland under a gradient of warming and doubled atmospheric CO 2 concentration. We found that warming and elevated CO 2 stimulated CH 4 emissions through different mechanisms. Warming initially stimulated but then suppressed vegetative productivity while stimulating soil organic matter (SOM) mineralization and dissolved organic carbon (DOC) fermentation, which led to higher acetate production and enhanced acetoclastic and hydrogenotrophic methanogenesis. Warming also enhanced surface CH 4 emissions, which combined with warming-caused decreases in CH 4 solubility led to slightly lower dissolved CH 4 concentrations through the soil profiles. Elevated CO 2 enhanced ecosystem productivity and SOM mineralization, resulting in higher DOC and acetate concentrations. Higher DOC and acetate concentrations increased acetoclastic and hydrogenotrophic methanogenesis and led to higher dissolved CH 4 concentrations and CH 4 emissions. Both warming and elevated CO 2 had minor impacts on CH 4 oxidation. A meta-analysis of warming and elevated CO 2 impacts on carbon cycling in wetlands agreed well with a majority of the modeled mechanisms. Finally, this mechanistic understanding of the stimulating impacts of warming and elevated CO 2 on peatland CH 4 emissions enhances our predictability on the climate-ecosystem feedback.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRSDate not supplied

NASA’s Identified Risks of Adverse Outcomes Due to Inadequate Human Systems Integration Architecture in Human Spaceflight

The NASA Human System Risk Board (HSRB) has the overall responsibility for tracking the evolution of the top ~30 human system risks that it has identified to be associated with human spaceflight. As part of this process, the Board is charged with maintaining a consistent, integrated process to mitigate those risks, and developing evidence-based risk posture recommendations. One of the identified risks is due to inadequate human systems integration architecture (HSIA) and a driving factor of this risk is that given decreasing real-time ground support for execution of complex operations during future exploration missions, there is a possibility of adverse performance outcomes including that crew are unable to adequately respond to unanticipated critical malfunctions or detect safety critical procedural errors. The HSRB uses Directed Acyclic Graphs (DAGs) as a communication tool for describing how astronaut exposure to spaceflight hazards leads to meaningful mission-level health and performance outcomes and as the basis for understanding intermediate causal relationships between risk contributing factors and countermeasures that link hazards to outcomes. The HSIA risk DAG will be presented and described. Historically, critical malfunctions requiring Crew/MCC management occurred at a rate of 1.7 times per year for ISS averaged over the lifetime and 3-4 times per year in the burn in phase for the vehicle. These averages do not include EVA data, which greatly increases the incident rate. Prior experience from the Apollo program showed 10/11 crewed missions experienced significant anomalies where crew relied heavily on MCC expertise in real-time. These failure patterns are in line with those observed in other complex engineered systems (e.g., oil rigs, launch systems, commercial aviation, etc.) It is likely that general malfunction and error rates are > 10% for short duration missions (<30 days), based on past and current spaceflight operations data. Likelihood of adverse outcomes has the potential to increase as crew conduct work with new, complex systems and with less ground support. For Low Earth Orbit missions and Lunar missions less than 30 days, assuming minimal comm delays, disruptions and bandwidth limitations, malfunctions and errors can affect mission objectives and crew health but may be mitigated by ground support. For Lunar missions greater than 30 days and any potential Mars mission malfunctions and errors can have Loss of Crew and Loss of Mission consequences due to reduced ground support (communication delays, constraints and blackouts) for more complex operations, as well as reduced resupply and evacuation options.

Daniel M Buckland↗

NASA NTRS1990

Integration by parts

This paper describes the unique integration and verification challenges associated with the Space Station Freedom and an approach to solve these problems using Data Management Systems (DMS) Kits. These DMS Kits will help alleviate the complex integration problems inherent in building, assembling and testing the Space Station. Particular emphasis has been placed on utilizing the capabilities and services of the on-board DMS to provide the integration and verification tools, not only for the DMS but for the other on-board distributed systems as well. DMS Kits are provided to system/software developers across the program. These DMS Kits provide a common set of integration and verification tools and hardware. Each system developer can then utilize, through the kits, a simulation of the complete data processing environment which will be available on orbit. The paper describes the evolution of the integration process from the system level to the final integration of multiple launch packages. DMS Kits are used throughout this process, which addresses both the ground and on-orbit aspects of the problem.

Barry, Thomas↗

NASA NTRS2010

Streamlining Payload Integration

Payload integration onto space transport vehicles and the International Space Station (ISS) is a complex process. Yet, cargo transport is the sole reason for any space mission, be it for ferrying humans, science, or hardware. As the largest such effort in history, the ISS offers a wide variety of payload experience. However, for any payload to reach the Space Station under the current process, Payload Developers face a list of daunting tasks that go well beyond just designing the payload to the constraints of the transport vehicle and its stowage topology. Payload customers are required to prove their payload s functionality, structural integrity, and safe integration - including under less than nominal situations. They must also plan for or provide training, procedures, hardware labeling, ground support, and communications. In addition, they must deal with negotiating shared consumables, integrating software, obtaining video, and coordinating the return of data and hardware. All the while, they must meet export laws, launch schedules, budget limits, and the consensus of more than 12 panel and board reviews. Despite the cost and infrastructure overhead, payload proposals have increased. Just in the span from FY08 to FY09, the NASA Payload Space Station Support Office budget rose from $78M to $96M in attempt to manage the growing manifest, but the potential number of payloads still exceeds available Payload Integration Management manpower. The growth has also increased management difficulties due to the fact that payloads are more frequently added to a flight schedule late in the flow. The current standard ISS template for payload integration from concept to payload turn-over is 36 months, or 18 months if the payload already has a preliminary design. Customers are increasingly requiring a turn-around of 3 to 6-months to meet market needs. The following paper suggests options for streamlining the current payload integration process in order to meet customer schedule needs and reduce costs for both the integration support teams and the developers, without reducing quality or compromising safety. Issues for the key integration areas of planning, training, verification, and safety are presented in a Root-Cause Analysis study, with plausible solutions provided that involve technology and tools already available to the ISS community. Although based upon the ISS process, the payload integration techniques outlined herein also offer an integration template for any space transport endeavor.

Lufkin, Susan N.↗

DOE OSTI2017

Integrated Work Management: FOD/RLM, Course 31882

The facility operations director (FOD) and responsible line manager (RLM) play leadership and functional roles in the integrated work management (IWM) process at Los Alamos National Laboratory (LANL). This course, Integrated Work Management: FOD/RLM (COURSE 31882), describes the IWM roles and responsibilities of the FOD and the RLM; it also discusses IWM requirements that must be met by the FOD and the RLM. Before taking this course, you may want to take COURSE 31881, Integrated Work Management: Overview. This self-study course would be particularly helpful if you are unfamiliar with the IWM process. You should also read Procedure (P) 300, Integrated Work Management. This course briefly covers the roles of the preparer and person in charge (PIC). For more in-depth instruction on the preparer’s role, see COURSE 31883, Integrated Work Management: Preparer. For instruction on the PIC’s role, see COURSE 31884, Integrated Work Management: PIC.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2025

Optimization of direct air capture processes using reactive transport models of adsorption-desorption cycles

In this study, we develop and implement a reactive transport model in COMSOL Multiphysics® to address the challenges of direct air carbon capture. The model is validated against experimental data and used to simulate the cyclic steady state of the adsorption-desorption process. The optimization of this model is achieved through advanced trust-region methods integrated with Gaussian Processes. Key decision variables, including adsorption and desorption times, desorption temperature and pressure, input velocity, bed porosity, column length, and radius were optimized to minimize the capture cost. After optimization, a sensitivity analysis revealed the complex interplay between the decision variables and their effect on the specific energy and cost of removing the CO 2 . We optimized the capture cost while taking into account the trade-off between energy consumption and productivity. The resulting minimum capture cost was determined to be 265.2 $/t-CO 2 , which aligns with expected values reported in the literature. Numerical results suggest the effectiveness of the optimization strategies applied, and underscore the importance of simultaneous decision variable selection in improving the performance in direct air capture processes. We also extend the modeling approach to a 2D axisymmetric model to better visualize CO₂ uptake and temperature profiles, revealing significant radial gradients during the regeneration step. As a main drawback, this enhanced model comes with a computational cost approximately 40 times higher than that of the 1D model.

Adsorption-desorption process↗

NASA NTRS1992

An Introduction to Intelligent Processing Programs Developed by the Air Force Manufacturing Technology Directorate

The Air Force has numerous on-going manufacturing and integration development programs (machine tools, composites, metals, assembly, and electronics) which are instrumental in improving productivity in the aerospace industry, but more importantly, have identified strategies and technologies required for the integration of advanced processing equipment. An introduction to four current Air Force Manufacturing Technology Directorate (ManTech) manufacturing areas is provided. Research is being carried out in the following areas: (1) machining initiatives for aerospace subcontractors which provide for advanced technology and innovative manufacturing strategies to increase the capabilities of small shops; (2) innovative approaches to advance machine tool products and manufacturing processes; (3) innovative approaches to advance sensors for process control in machine tools; and (4) efforts currently underway to develop, with the support of industry, the Next Generation Workstation/Machine Controller (Low-End Controller Task).

Sampson, Paul G.↗

NASA NTRS1974

Development of an integrated, zero-G pneumatic transporter/rotating-paddle incinerator/catalytic afterburner subsystem for processing human waste on board spacecraft

A baseline laboratory prototype of an integrated, six man, zero-g subsystem for processing human wastes onboard spacecraft was investigated, and included the development of an operational specification for the baseline subsystem, followed by design and fabrication. The program was concluded by performing a series of six tests over a period of two weeks to evaluate the performance of the subsystem. The results of the tests were satisfactory, however, several changes in the design of the subsystem are required before completely satisfactory performance can be achieved.

Fields, S. F.↗

DOE OSTI2018

Development of city buildings dataset for urban building energy modeling

Urban building energy modeling (UBEM) is becoming a proven tool to support energy efficiency programs for buildings in cities. Development of a city-scale dataset of the existing building stock is a critical step of UBEM to automatically generate energy models of urban buildings and simulate their performance. This study introduces data needs, data standards, and data sources to develop city building datasets for UBEM. First, a literature review of data needs for UBEM was conducted. Then, the capabilities of the current data standards for city building datasets were reviewed. Moreover, the existing public data sources from several pioneer cites were studied to evaluate whether they are adequate to support UBEM. The results show that most cities have adequate public data to support UBEM; however, the data are represented in different formats without standardization, and there is a lack of common keys to make the data mapping easier. Finally, a case study is presented to integrate the diverse data sources from multiple city departments of San Francisco. The data mapping process is introduced and discussed. It is recommended to use the unique building identifiers as the common keys in the data sources to simplify the data mapping process. Furthermore, the integration methods and workflow are applied to other U.S. cities for developing the city-scale datasets of their existing building stock, including San Jose, Los Angeles, and Boston.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2017

Divergence of stable isotopes in tap water across China

Stable isotopes in water (e.g., δ2H and δ18O) are important indicators of hydrological and ecological patterns and processes. Tap water can reflect integrated features of regional hydrological processes and human activities. China is a large country with significant meteorological and geographical variations. This report presents the first national-scale survey of Stable Isotopes in Tap Water (SITW) across China. 780 tap water samples have been collected from 95 cities across China from December 2014 to December 2015. (1) Results yielded the Tap Water Line in China is δ2H = 7.72 δ18O + 6.57 (r2 = 0.95). (2) SITW spatial distribution presents typical "continental effect". (3) SITW seasonal variations indicate clearly regional patterns but no trends at the national level. (4) SITW can be correlated in some parts with geographic or meteorological factors. This work presents the first SITW map in China, which sets up a benchmark for further stable isotopes research across China. This is a critical step toward monitoring and investigating water resources in climate-sensitive regions, so the human-hydrological system. These findings could be used in the future to establish water management strategies at a national or regional scale. Title: Divergence of stable isotopes in tap water across China Authors: Zhao, SH; Hu, HC; Tian, FQ; Tie, Q; Wang, LX; Liu, YL; Shi, CX Source: SCIENTIFIC REPORTS, 7 10.1038/srep43653 MAR 2 2017

58 GEOSCIENCES↗

DOE OSTI2023

High-bandwidth density silicon photonic resonators for energy-efficient optical interconnects

The growth of artificial intelligence applications demands ever larger and more complex deep learning models, dominating today's—and tomorrow's—data center and high-performance computing systems. While traditional electronics are failing to keep pace with application demands, silicon photonic (SiPh) interconnects have emerged as a necessary technology to support these systems. SiPh-driven wavelength-division multiplexing (WDM) offers a particularly promising path toward supporting incredibly high-aggregate link bandwidth in a compact and efficient form factor. One of the basic building blocks of these integrated WDM interconnects is the SiPh resonator. Their inherent wavelength selectivity and compact footprint allow for efficient data transmission multiplexed across dozens of carrier wavelengths. Used as add-drop (AD) filters, SiPh resonators are critical to constructing integrated tunable wavelength-selective optical circuit switches as well as for demultiplexing the different carrier wavelengths toward independent wavelength-insensitive photodiodes in a dense wavelength-division multiplexing receiver. Resonators in the all-pass (AP) configuration are widespread as well, allowing for wavelength-selective modulation to drive aggregate link bandwidths far beyond the individual channel data rate. Unlike SiPh Mach–Zehnder modulators (MZM), resonant modulators can be driven using low, complementary metal-oxide-semiconductor drive voltages, allowing for tight co-integration between photonic integrated circuits, fabricated with larger process node technologies, and electronic integrated circuits, designed to exploit the advantages of the latest node. To push toward practical peta-scale interconnects, a comprehensive review of SiPh resonators is required, addressing bottlenecks and design constraints at both the architecture and device levels. We first describe the predominant integrated link architectures and identify their limits. We then discuss the device-level design considerations that can be made for both AD and AP configuration resonators to overcome the system level limits with novel resonator device designs. Analytical models and numerical simulation of resonators are validated by experimental measurement of devices fabricated in a commercial 300-mm foundry, showing a clear path toward volume manufacturing. The demonstrated resonant modulators and filters support the feasibility of increasing the aggregate bandwidth of resonator-driven SiPh interconnects into the peta-scale regime.

42 ENGINEERING↗

DOE OSTI2020

Multi-Model and Multi-Scale Global Sensitivity Analysis for Identifying Controlling Processes of Complex Systems

An environmental model consists of multiple process level sub-models, and each sub-model represents a process that is key to the operation of the simulated system. Global sensitivity analysis methods have been widely used to identify important processes for system model development and improvement. The existing methods of global sensitivity analysis only consider parametric uncertainty, and are not capable of handling model uncertainty caused by multiple process models that arise from competing hypotheses about one or more processes. To address this problem, this project develops a new method to probe model output sensitivity to competing process models by integrating model averaging methods with variance-based global sensitivity analysis to address uncertainty in process models and parameters. The new method yields three process sensitivity indices. The first one is called first-order process sensitivity index, and it is derived as a single summary measure of relative process importance. Evaluating the index is computationally expensive, because it relies in a Monte Carlo scheme that requires thousands and even millions of model executions. To reduce computational cost, this project develops a computationally efficient, quasi Monte Carlo method, and this method is presented in Chapter 2 of this report with and a numerical example for demonstration. The numerical example shows that the results of the quasi Monte Carlo method are substantially close to those of the full Monte Carlo method, but the computational cost of the quasi Monte Carlo method is only 0.7% of that of the full Monte Carlo method. The second index is called total-effect process sensitivity index, and it measures interactions between different processes. Therefore, this sensitivity index includes the first-order process sensitivity index, and can be used to identify influential processes. On the other hand, the total-effect process sensitivity index can also be used to screen non-influential processes. This is demonstrated by two numerical examples using the Sobol-G* functions and groundwater flow models that consider recharge process, geological process, and snowmelt process. The numerical examples shows that the total-effect process sensitivity index is more informative than the first-order process sensitivity. The derivation of the process sensitivity index and the numerical examples are discussed in Chapter 3. Chapter 4 presents two computationally efficient methods for screening non-influential processes to exclude them from further investigation. The two methods are the multi-model difference-based sensitivity (MMDS) analysis method, which can be implemented using the Latin Hypercube Sampling. The second one is the implementation of MMDS method using a binning method. The numerical example for the Sobol-G* function indicates the two methods are capable of identifying non-influential models, and the numerical examples for the groundwater flow and reactive transport show that the two methods are effective for groundwater problems. However, it should be noted that the two methods are numerical approximations, and they can only be used for screening non-influential processes, not for ranking importance of system processes. All the sensitivity analysis methods are implemented by developing python codes, and the codes are in a software called SAMMPY: a python package for process sensitivity analysis under multiple models. The SAMMPY design and structure are discussed in Chapter 5, and the package is released to the public for free download.

54 ENVIRONMENTAL SCIENCES↗