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Application of Orthogonal Defect Classification for Software Reliability Analysis

The modernization of existing and new nuclear power plants with digital instrumentation and control systems (DI&C) is a recent and highly trending topic. However, there lacks strong consensus on best-estimate reliability methodologies by both the United States (U.S.) Nuclear Regulatory Commission (NRC) and the industry. This has resulted in hesitation for further modernization projects until a more unified methodology is realized. In this work, we develop an approach called Orthogonal-defect Classification for Assessing Software Reliability (ORCAS) to quantify probabilities of various software failure modes in a DI&C system. The method utilizes accepted industry methodologies for software quality assurance that are also verified by experimental or mathematical formulations. In essence, the approach combines a semantic failure classification model with a reliability growth model to predict (and quantify) the potential failure modes of a DI&C software system. The semantic classification model is used to address the question: How do latent defects in software contribute to different software failure root causes? The use of reliability growth models is then used to address the question: Given the connection between latent defects and software failure root causes, how can we quantify the reliability of the software? A case study was conducted on a representative I&C platform (ChibiOS) running a smart sensor acquisition software developed by Virginia Commonwealth University (VCU). The testing and evidence collection guidance in ORCAS was applied, and defects were uncovered in the software. Qualitative evidence, such as condition coverage, was used to gauge the completeness and trustworthiness of the assessment while quantitative evidence was used to determine the software failure probabilities. The reliability of the software was then estimated and compared to existing operational data of the sensor device. It is demonstrated that by using ORCAS, a semantic reasoning framework can be developed to justify software reliability (or unreliability) while still leveraging the strength of the existing methods.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Mid-day photomixotrophy by Roseiflexus spp. and implications for the 13 C content of hot spring cyanobacterial mats

Microbial mats inhabiting extreme environments have been studied as modern analogs of stromatolites. Mats in Octopus Spring and Mushroom Spring, Yellowstone National Park, are predominated by unicellular photoautotrophic cyanobacteria (Synechococcus spp.), which are thought to cross-feed filamentous photoheterotrophic bacteria (mainly Roseiflexus spp.), except under early morning anoxic conditions when Roseiflexus spp. have been shown to fix dissolved inorganic carbon (DIC). Transcription patterns, however, suggest that Roseiflexus spp. may perform photomixotrophy, in which DIC is incorporated together with organic compounds during the daytime. We investigated the roles played by Synechococcus spp. and Roseiflexus spp. in DIC and organic matter uptake in mid-day light and oxic mats. Mass spectrometry was used to show that 13 C-bicarbonate uptake under infrared (IR) light (utilized by anoxygenic phototrophs) or visible-minus-blue light (V-B) (used by cyanobacteria) was about two-thirds and one-third, respectively, of that incorporated in full light. Laser-ablation mass spectrometry analysis demonstrated that 13 C incorporation under V-B light was restricted to the uppermost portion of the mat, whereas 13 C incorporation under IR light was maximal in deeper mat layers. 13 C-acetate, -propionate, -lactate, and -glycolate were incorporated to an equal or greater extent under IR and full light. Incorporation of 13 C into peptides showed that both Synechococcus spp. and Roseiflexus spp. were active in DIC uptake, whereas Roseiflexus spp. exhibited greater uptake of 13 C-organic acids, especially glycolate and lactate, into peptides. Peptides of proteins of the 3-hydroxypropionate pathway were labeled. Thus, Roseiflexus spp. appears to exhibit photomixotrophy throughout the day.

Roseiflexus↗

Gaussian approximation potential for amorphous Si : H

Hydrogenation of amorphous silicon (a–Si : H) is critical for reducing defect densities, passivating midgap states and surfaces, and improving photoconductivity in silicon-based electro-optical devices. Modeling the atomic-scale structure of this material is critical to understanding these processes, which in turn is needed to describe c–Si/a–Si : H heterojunctions that are at the heart of modern solar cells with world-record efficiency. Density functional theory (DFT) studies achieve the required high accuracy but are limited to moderate system sizes of 100 atoms or so by their high computational cost. Simulations of amorphous materials have been hindered by this high cost because large structural models are required to capture the medium-range order that is characteristic of such materials. Empirical potential models are much faster, but their accuracy is not sufficient to correctly describe the frustrated local structure. Data-driven, machine-learned interatomic potentials have broken this impasse and have been highly successful in describing a variety of amorphous materials in their elemental phase. Here, we extend the Gaussian approximation potential (GAP) for silicon by incorporating the interaction with hydrogen, thereby significantly improving the degree of realism with which amorphous silicon can be modeled. We show that our Si : H GAP enables the simulation of hydrogenated silicon with an accuracy very close to DFT but with computational expense and run times reduced by several orders of magnitude for large structures. Here, we demonstrate the capabilities of the Si : H GAP by creating models of hydrogenated liquid and amorphous silicon and showing that their energies, forces, and stresses are in excellent agreement with DFT results, and their structure as captured by bond and angle distributions are in agreement with both DFT and experiments.

36 MATERIALS SCIENCE↗

UV‐induced degradation of high‐efficiency silicon PV modules with different cell architectures

Abstract Degradation from ultraviolet (UV) radiation has become prevalent in the front of solar cells due to the introduction of UV‐transmitting encapsulants in photovoltaic (PV) module construction. Here, we examine UV‐induced degradation (UVID) in various commercial, unencapsulated crystalline silicon cell technologies, including bifacial silicon heterojunction (HJ), interdigitated back contact (IBC), passivated emitter and rear contact (PERC), and passivated emitter rear totally diffused (PERT) solar cells. We performed UV exposure tests using UVA‐340 fluorescent lamps at 1.24 W·m −2 (at 340 nm) and 45°C through 4.02 MJ·m −2 (2000 h). Our results showed that modern cell architectures are more vulnerable to UVID, leading to a significant power decrease (−3.6% on average; −11.8% maximum) compared with the conventional aluminum back surface field (Al‐BSF) cells (<−1% on average). The power degradation is largely caused by the decrease in short‐circuit current and open‐circuit voltage. A greater power decrease is observed in bifacial cells with rear‐side exposure compared with those with front‐side exposure, indicating that the rear side is more susceptible to UV damage. Secondary ion mass spectroscopy (SIMS) confirmed an increase in hydrogen concentration near the Si/passivation interface in HJ and IBC cells after UV exposure; the excess of hydrogen could result in hydrogen‐induced degradation and subsequently cause higher recombination losses. Additionally, surface oxidation and hot‐carrier damage were identified in PERT cells. Using a spectral‐based analysis, we obtained an acceleration factor of 5× between unpackaged cells (containing a silicon nitride antireflective coating on the front) in the UV test and an encapsulated module (with the front glass and encapsulant blocking 90% of the UV at 294 nm and 353 nm, respectively) in outdoor conditions. From the analytical calculations, we show that a UV‐blocking encapsulant can reduce UV transmission in the module by an additional factor of ~50.

14 SOLAR ENERGY↗

Enabling scientific machine learning in MOOSE using Libtorch

A neural-network-based machine learning interface has been developed for the Multiphysics Object-Oriented Simulation Environment (MOOSE). The interface relies on Libtorch, the C++ front-end of PyTorch, and enables an online interaction between modern machine learning algorithms and all the existing simulation, modeling, and analysis processes available in MOOSE. New capabilities in MOOSE include the native generation and training of artificial neural networks together with options to load pretrained neural networks in TorchScript format. Furthermore, the MOOSE stochastic tools module (MOOSE-STM) has been enhanced with neural network-based surrogate and reduced-order model generation options for efficient stochastic analyses. Lastly, a reinforcement learning capability has been added to MOOSE-STM for the interactive control and optimization of complex multiphysics problems.

97 MATHEMATICS AND COMPUTING↗

Capacity contributions of Southern Oregon offshore wind to the Pacific Northwest and California

Variable renewable energy generation poses unique capacity challenges, which increasingly depend on weather events at varying timescales. Facilitated by transmission planning, geographic and technological diversity of the generation fleet may provide a mitigation to capacity shortfalls. In this work, offshore wind (OSW) energy is sited in the areas off the West Coast between Coos Bay, Oregon, and Crescent City, California. Three generation and transmission scenarios are modeled within the Western Interconnection: (i) 3.4 gigawatts (GW) of installed OSW capacity connected to Southern Oregon through a High Voltage Alternating Current (HVAC) Radial Topology in 2030; (ii) 12.9 GW of installed OSW capacity connected to Washington, Oregon, and California through a High Voltage Direct Current (HVDC) Radial Topology post-2030, and (iii) the same 12.9 GW connected to the same locations through a Multi-terminal DC (MTDC) Backbone Topology post-2030. Zonal dispatch simulations assuming coincident wind, solar, and hydropower production and loads over 18 meteorological years, accounting for temperature-dependent equipment derating and forced outages, serve as inputs to the Associated System Capacity Contribution (ASCC) methodology. The capacity credit is 33%, 25% and 34% for the 2030 HVAC Radial Topology, 2030+ HVDC Radial Topology, and 2030+ MTDC Backbone Topology, respectively. Transmission design is shown to mitigate the typical erosion of marginal capacity contribution as more OSW is developed, underscoring the opportunity for grid modernization while decarbonizing the generation mix.

17 WIND ENERGY↗

Cecal microbiota composition differs under normal and high ambient temperatures in genetically distinct chicken lines

Modern broilers, selected for high growth rate, are more susceptible to heat stress (HS) as compared to their ancestral jungle fowl (JF). HS affects epithelia barrier integrity, which is associated with gut microbiota. The aim of this study was to determine the effect of HS on the cecal luminal (CeL) and cecal mucosal (CeM) microbiota in JF and three broiler populations: Athens Canadian Random Bred (ACRB), 1995 Random Bred (L1995), and Modern Random Bred (L2015). Broiler chicks were subjected to thermoneutral TN (24 °C) or chronic cyclic HS (8 h/day, 36 °C) condition from day 29 until day 56. HS affected richness in CeL microbiota in a line-dependent manner, decreasing richness in slow-growing JF and ACRB lines, while increasing richness in faster-growing L1995 and L2015. Microbiota were distinct between HS and TN conditions in CeL microbiota of all four lines and in CeM microbiota of L2015. Certain bacterial genera were also affected in a line-dependent manner, with HS tending to increase relative abundance in CeL microbiota of slow-growing lines, while decreases were common in fast-growing lines. Predictive functional analysis suggested a greater impact of HS on metabolic pathways in L2015 compared to other lines.

59 BASIC BIOLOGICAL SCIENCES↗

Protocols and methodologies for acquiring and analyzing critical-current versus longitudinal-strain data in Bi 2 Sr 2 CaCu 2 O 8+x wires

Abstract In the literature on Bi 2 Sr 2 CaCu 2 O 8+ x (Bi-2212) superconducting wires, it is evident that measurement protocols for transport critical-current I c versus longitudinal strain ϵ and definitions of the so-called ‘strain limit’ are generally dissimilar. Yet, values obtained for the ‘strain limit’ are frequently assimilated to being those of the irreversible strain limit ϵ irr , regardless of the I c degradation-criterion used to define it. In effect, ϵ irr should correspond specifically to the I c ( ϵ ) irreversibility onset , where crack formation in Bi-2212 filaments presumably starts. Because I c ( ϵ ) degradation remains progressive over a fairly wide strain range beyond ϵ irr , the different I c degradation-criteria in use do not yield to the same result and, thus, are not equivalent from metrology perspective. Indeed, in studying densified samples of a modern Bi-2212 round wire, we found ϵ irr ≈ 0.4% and ϵ 5% ≈ 0.6% ( ϵ 5% being the strain where I c degrades by 5%). In this paper, we outline and suggest I c ( ϵ )-measurement protocols and data-analysis methodologies in the hope to converge the various approaches taken for studying Bi-2212 strain properties and, thus, remove related result discrepancies. A unified approach would enable more objective data comparisons among laboratories and among different Bi-2212 conductors. It would pave the way for more rigorous studies of effects potentially associated with wire design, powder, heat treatments, and other such parameters on the conductor’s strain properties.

protocols↗

𝑁 = 8 Shell Breaking in 12 Be from a Single-Particle Perspective

Experimental observations of the low-lying states in 12 Be and their accurate modeling play an essential role in understanding the disappearance of the 𝑁 = 8 magic number. Long-standing experimental ambiguities have been clarified using an one-neutron adding (𝑑, 𝑝) reaction on 11 Be using the ISOLDE Solenoidal Spectrometer at CERN’s HIE-ISOLDE facility. The single-particle energies of 1⁢𝑠 1/2 , 0⁢𝑑 5/2 , and 0⁢𝑝 1/2 orbitals in 12 Be have been determined from the extracted spectroscopic factors. A significant reduction between the separation of 1⁢𝑠 1/2 and 0⁢𝑝 1/2 orbitals is found in comparison with the carbon isotones, highlighting the breakdown of the 𝑁 = 8 shell. These observations serve as an important test of different effects incorporated in theoretical models. It is found that two synergistic mechanisms, core deformation and weak binding, are responsible for the 𝑁 = 8 shell breaking and the exotic near-threshold phenomena observed in 12 Be, including the narrow unnatural-parity resonance $0^{-}_1$ and the possible halolike nature of the $0^+_2$ isomer.

Chen, Jie [Southern University of Science and Tech↗

Lacustrine leaf wax hydrogen isotopes indicate strong regional climate feedbacks in Beringia since the last ice age

The Late-Quaternary climate of Beringia remains unresolved despite the region's role in modulating glacial-interglacial climate and as the likely conduit for human dispersal into the Americas. In this work, we investigate Beringian temperature change using an ~32,000-year lacustrine record of leaf wax hydrogen isotope ratios (δ2Hwax) from Arctic Alaska. Based on Monte Carlo iterations accounting for multiple sources of uncertainty, the reconstructed summertime temperatures were ~3 °C colder (range: –8 to +3 °C) during the Last Glacial Maximum (LGM; 21-25 ka) than the pre-industrial era (PI; 2–0.1 ka). This ice-age summer cooling is substantially smaller than in other parts of the Arctic, reflecting altered atmospheric circulation and increased continentality which weakened glacial cooling in the region. Deglacial warming was punctuated by abrupt events that are largely synchronous with events seen in Greenland ice cores that originate in the North Atlantic but which are also controlled locally, such as by the opening of the Bering Strait between 13.4 and 11 ka. Our reconstruction, together with climate modeling experiments, indicates that Beringia responds more strongly to North Atlantic freshwater forcing under modern-day, open-Bering Strait conditions than under glacial conditions. Furthermore, a 2 °C increase (Monte Carlo range: –1 to +5 °C) over the anthropogenic era reverses a 6 °C decline (Monte Carlo range: –10 to 0 °C) through the Holocene, indicating that recent warming in Arctic Alaska has not surpassed peak Holocene summer warmth.

54 ENVIRONMENTAL SCIENCES↗

PyOMP: Multithreaded Parallel Programming in Python

We know that Python is a widely used language in scientific computing. When the goal is high performance, however, Python lags far behind low-level languages such as C and Fortran. To support applications that stress performance, Python needs to access the full capabilities of modern CPUs. That means support for parallel multithreading. In this paper, we describe PyOMP, a system that enables OpenMP in Python. Programmers write code in Python with OpenMP, Numba generates code that compiles to LLVM, and the resulting programs run with performance that approaches that from code written with C and OpenMP. In this paper we provide an update on the PyOMP project and explain how to install it and use it to write parallel multithreaded code in Python.

97 MATHEMATICS AND COMPUTING↗

Nuclear Safety [Vol. 29, No. 1, January-March 1988]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. THE CHERNOBYL ACCIDENT: 1 Core History and Nuclide Inventory of the Chernobyl Core at the Time of Accident by Gerald Kirchner and Cornelius C. Noack; GENERAL SAFETY CONSIDERATIONS: 6 Nonprescriptive Nuclear Safety Regulation: The Example of Loss of Offsite Power by M. W. Golay, V. P. Manno, and C. Vlahoplus, Jr., 20 Nuclear Power Safety Goals in Light of the Chernobyl Accident by C. Whipple and C. Starr; ACCIDENT ANALYSIS: 29 Containment Loads from Severe Accidents—U.S. Program by W. Kerr and M. K. Dey; PLANT SAFETY FEATURES: 36 Safety Characteristics of Modern High-Temperature Reactors: Focus on German Designs by W. Kröger, H. Nickel, and R. Schulten; ENVIRONMENTAL EFFECTS: 49 Radiation Hormesis and Nuclear Safety by C. C. Congdon; OPERATING EXPERIENCES: 58 Evaluation of Nonradiological Water Chemistry at Power Reactors by Harvey Zibulsky, James J. Kottan, Walter J. Pasciak, Mary Ann Castrogivanni, and Sujit Banerjee, 64 Reactor Shutdown Experience Compiled by J. W. Cletcher, 67 Operating U.S. Power Reactors Compiled by E. G. Silver; RECENT DEVELOPMENTS: 85 General Administrative Activities Compiled by E. G. Silver, 94 Reports, Standards, and Safety Guides by D. S. Queener, 100 Status of Power-Reactor Projects Undergoing Licensing Review Compiled by E. G. Silver, 103 Proposed Rule Changes as of Sept. 30, 1987; ANNOUNCEMENTS: 5 Northwestern University Short Course on Radiation Safety, 28 International Approach to Nuclear Safety (After Three-Mile Island and Chernobyl), 57 RPI Short Course on Modern Developments in Boiling Heat Transfer and Two-Phase Flow, 107 20th DOE/NRC Nuclear Air Cleaning Conference, 110 Third International Topical Meeting on Nuclear Power Plant Thermal Hydraulics and Operations, 108 The Authors, 111 Indexes to Nuclear Safety, Volume 28.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Nuclear Safety [Vol. 29, No. 1, January-March 1988]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. THE CHERNOBYL ACCIDENT: 1 Core History and Nuclide Inventory of the Chernobyl Core at the Time of Accident by Gerald Kirchner and Cornelius C. Noack; GENERAL SAFETY CONSIDERATIONS: 6 Nonprescriptive Nuclear Safety Regulation: The Example of Loss of Offsite Power by M. W. Golay, V. P. Manno, and C. Vlahoplus, Jr., 20 Nuclear Power Safety Goals in Light of the Chernobyl Accident by C. Whipple and C. Starr; ACCIDENT ANALYSIS: 29 Containment Loads from Severe Accidents—U.S. Program by W. Kerr and M. K. Dey; PLANT SAFETY FEATURES: 36 Safety Characteristics of Modern High-Temperature Reactors: Focus on German Designs by W. Kröger, H. Nickel, and R. Schulten; ENVIRONMENTAL EFFECTS: 49 Radiation Hormesis and Nuclear Safety by C. C. Congdon; OPERATING EXPERIENCES: 58 Evaluation of Nonradiological Water Chemistry at Power Reactors by Harvey Zibulsky, James J. Kottan, Walter J. Pasciak, Mary Ann Castrogivanni, and Sujit Banerjee, 64 Reactor Shutdown Experience Compiled by J. W. Cletcher, 67 Operating U.S. Power Reactors Compiled by E. G. Silver; RECENT DEVELOPMENTS: 85 General Administrative Activities Compiled by E. G. Silver, 94 Reports, Standards, and Safety Guides by D. S. Queener, 100 Status of Power-Reactor Projects Undergoing Licensing Review Compiled by E. G. Silver, 103 Proposed Rule Changes as of Sept. 30, 1987; ANNOUNCEMENTS: 5 Northwestern University Short Course on Radiation Safety, 28 International Approach to Nuclear Safety (After Three-Mile Island and Chernobyl), 57 RPI Short Course on Modern Developments in Boiling Heat Transfer and Two-Phase Flow, 107 20th DOE/NRC Nuclear Air Cleaning Conference, 110 Third International Topical Meeting on Nuclear Power Plant Thermal Hydraulics and Operations, 108 The Authors, 111 Indexes to Nuclear Safety, Volume 28.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Comparison of δ 13 C analyses of individual foraminifer ( Orbulina universa ) shells by secondary ion mass spectrometry and gas source mass spectrometry

Rationale: The use of secondary ion mass spectrometry (SIMS) to perform micrometer-scale in situ carbon isotope (δ 13 C) analyses of shells of marine microfossils called planktic foraminifers holds promise to explore calcification and ecological processes. The potential of this technique, however, cannot be realized without comparison to traditional whole-shell δ 13 C values measured by gas source mass spectrometry (GSMS). Methods: Paired SIMS and GSMS δ 13 C values measured from final chamber fragments of the same shell of the planktic foraminifer Orbulina universa are compared. The SIMS–GSMS δ 13 C differences (Δ 13 C SIMS-GSMS ) were determined via paired analysis of hydrogen peroxide-cleaned fragments of modern cultured specimens and of fossil specimens from deep-sea sediments that were either untreated, sonicated, and cleaned with hydrogen peroxide or vacuum roasted. After treatment, fragments were analyzed by a CAMECA IMS 1280 SIMS instrument and either a ThermoScientific MAT-253 or a Fisons Optima isotope ratio mass spectrometer (GSMS). Results: Paired analyses of cleaned fragments of cultured specimens (n = 7) yield no SIMS–GSMS δ 13 C difference. However, paired analyses of untreated (n = 18) and cleaned (n = 12) fragments of fossil shells yield average Δ 13 C SIMS-GSMS values of 0.8‰ and 0.6‰ (±0.2‰, 2 SE), respectively, while vacuum roasting of fossil shell fragments (n = 11) removes the SIMS–GSMS δ 13 C difference. Conclusions: The noted Δ 13 C SIMS-GSMS values are most likely due to matrix effects causing sample–standard mismatch for SIMS analyses but may also be a combination of other factors such as SIMS measurement of chemically bound water. The volume of material analyzed via SIMS is ~10 5 times smaller than that analyzed by GSMS; hence, the extent to which these Δ 13 C SIMS-GSMS values represent differences in analyte or instrument factors remains unclear.

58 GEOSCIENCES↗

Open database for GPD analyses

This article summarizes the main ideas behind creating an open database proposed for use in the exploration of generalized parton distributions (GPDs). This lightweight database is well suited for GPD phenomenology and is designed to store both experimental and lattice-QCD data. It can also aid in benchmarking GPD-related developments, such as GPD models. The database utilizes a new data format based on the YAML serialization language, enabling the storage of essential information for modern analyses, such as replica values. It includes interfaces for both Python and C++, allowing straightforward integration with analysis codes.

Burkert, V. D. [Thomas Jefferson National Accelera↗

Review of Codes and Standards for Energy Storage Systems

This article identifies several examples of industry efforts and successes in removing gaps in energy storage (ES) Codes & Standards (C&S) by updating or creating and publishing new standards. A particular challenge discussed in this article is that while modern battery technologies including lithium ion (Li-ion) increase technical and economic viability of grid energy storage, newer battery technologies also present new or unknown risks to managing the safety of energy storage systems (ESS). There has been progress in filling gaps in published ES C&S that recognize and address the expanding range of technologies and their unique characteristics. However, there remain significant need and opportunity for researchers to contribute to the underlying knowledge base that informs development of technical references and standards, and ultimately the application of published standards for the effective and safe design and use of modern ESS.

Energy Storage, Codes and Standards↗

Addressing Human and Organizational Factors In Nuclear Industry Modernization: A Sociotechnically-Based Strategic Framework

The modernization of nuclear power plants will require an advanced concept of operations, involving an integrated set of tightly coupled systems in which all stakeholders act in a coordinated manner. For this modernization effort to be enabled, we developed a human and organizational factors approach, based on a broad sociotechnical framework. Starting from core human factors principles, we conducted a literature review of the methods and approaches relevant to the modernization problem. These included core disciplines such as cognitive systems engineering, systems theoretic accident modeling and processes (STAMP), human systems integration, resilience engineering, and macroergonomics but also related topics of safety culture and organizational change. From this literature, we developed a conceptual framework centered around the work system with its four interacting components: people, technology, process, and governance. In an effective work system, these four components are jointly optimized according to three systems criteria: efficiency, effectiveness, and safety. System failure may result from excessive emphasis on any one criterion. The actual work of attaining joint optimization in a given work system can be accomplished by utilizing three high level functions: knowledge elicitation, knowledge representation, and cross-functional integration. We illustrated the utility of this approach by applying it to practical problems and case studies. The complete report is available in [1]; this paper is a description of our approach and report contents.

99 GENERAL AND MISCELLANEOUS↗

Gold–Catalyzed C–H Functionalization Polycondensation for the Synthesis of Aromatic Polymers

Homogeneous gold (Au) complexes have demonstrated tremendous utility in modern organic chemistry; however, their application for the synthesis of polymers remains rare. Herein, we demonstrate the first catalytic application of Au complexes toward the polycondensation of alkyne-containing comonomers and heteroarene nucleophiles. Polymerization occurs through successive intermolecular hydroarylation reactions to produce high molecular weight aromatic copolymers with 1,1-disubstituted alkene backbone linkages. Clear correlations between the rate and degree of polymerization (DP) were established based on catalyst structure and counterion pairing, thus enabling polymerization reactions that proceeded with remarkable efficiency, high reactivity, and exceptional DPs. The reactivity is broad in scope, enabling the copolymerization of highly functionalized aromatic and aliphatic monomers. Furthermore, these results highlight the untapped utility of Au catalysis in providing access to new macromolecular constructs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗