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The ETROC2 prototype for CMS MTD Endcap Timing Layer (ETL) upgrade

The Endcap Timing ReadOut Chip (ETROC) is designed to process LGAD signals with time resolution down to about 40-50ps per hit. The ETROC2 is the first full size (16x16) prototype design with the front-end based on and scaled up from the ETROC1 (4x4). The readout designs at pixel and global level and the system interfaces are all new and are compatible with the final chip specifications in terms of functionality. The ETROC2 is intended as a learning chip, as a stepstone to the ETROC3 which is intended as the pre-production design. The ETROC2 design and test results will be presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search For Low-Mass Quark-Antiquark Resonances Produced With an Initial State Photon at 13 TeV Using the CMS Detector

We present a search for low-mass narrow qq̅ resonances. This search uses data from LHC pp collisions at a center of mass of 13 TeV in Run 2, and corresponds to an integrated luminosity of 137 fb^{-1}, currently using 10\% of data. Utilizing full Run 2 data allows the use of a lower photon pT threshold trigger than a previous analysis performed with only 2016 data, allowing this analysis to be more sensitive to resonances in the low mass region. We require an initial state photon recoiling against the narrow resonance, leading to the resonance having a high transverse momentum. The high pT decay products of the resonance collimate and are reconstructed as a single large jet with an internal two-pronged substructure. A two-pronged dijet score based on the ParticleNet tagger is used to select jets with two-pronged substructure. The background is estimated via a data-driven method using a transfer factor between the distributions which fail and pass the two-pronged substructure requirement. The new physics signal is searched for as a narrow peak excess above the Standard Model backgrounds in the jet mass spectrum.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

CMS Outer Tracker Module QA

It is well known that everything emits infrared (IR) light in the form of thermal radiation. IR radiation on superconducting qubits carries enough energy to cause decoherence and so-called “quasiparticle poisoning.” Therefore, proper IR shielding is needed to keep the qubit in a high-coherence state. However, trying to extract IR-specific information from a qubit is difficult, so a microwave kinetic inductance detector (MKID) can be used instead. We show that the IR shielding inefficiencies of MKID packages can only be compared with other packaging inefficiencies. We create a cryogenic assembly CAD design, consisting of magnetic shield cans, a copper mounting plate and mounts, and an MKID enclosure, which thermalizes the assembly to dilution refrigerator temperatures. Phase 1 of this design involves using a narrowband IR laser source to test the IR shielding of packaging at the laser’s wavelength. When the best IR shielding packaging is determined, the superconducting qubit can replace the MKID, allowing the qubit to avoid decoherence due to IR radiation and boost its performance and coherence lifetime.

Hobbeheydar, Samuel [Carnegie Mellon U. (main); Fe↗

Crystal structure of WA352 provides insight into cytoplasmic male sterility in rice

Highlights: • Identification of a C-terminal structural and functional core domain of WA352. • The crystal structure of C-terminus of WA352 was determined at 1.3 Å resolution. • Molecular mechanism whereby WA352 perturbs COX11 function to cause CMS is proposed. Plant cytoplasmic male sterility (CMS) is an important phenomenon and is widely utilized in hybrid crop breeding. The Wild Abortive CMS (CMS-WA), a well-known CMS type, has been successfully applied in the commercial production of hybrid rice seeds for more than 40 years. The CMS-WA causal gene WA352 encodes a novel transmenbrane protein and the interacts with the mitochondrial copper chaperone COX11, triggering reactive oxygen species production and resulting in male sterility in CMS-WA lines. However, the structure of WA352 is currently unknown, and the structural mechanism whereby WA352 perturbs COX11 function to cause CMS remains largely unknown. Here, we report the crystal structure of the C-terminal functional domain of WA352 at 1.3 Å resolution. This functional domain, consisting of five α helices, is spindle-shaped with a length of 42 Å, and a diameter of 28 Å. Notably, the absence of any structural similarity to a known protein structure suggests that the WA352 functional domain is a novel fold. In addition, surface conservation analysis and structural modeling of the WA352-COX11 complex revealed details about the WA352-COX11 interaction. Further structural analysis suggested that the WA352-COX11 interaction blocks the copper ion transportation activity of COX11, which is essential for the assembly of cytochrome c oxidase, resulting in male sterility in CMS-WA lines. Our study paves the way toward structural determination of the WA352-COX11 complex and provides new insight into the mechanism of plant CMS.

60 APPLIED LIFE SCIENCES↗

Co-transport of water and p-xylene through carbon molecular sieve membranes

Carbon molecular sieve (CMS) materials are a potential candidate for scalable and high-performance reverse osmosis membranes due to their impressive chemical and thermal stabilities. Moreover, they have the potential to enable impressive rejections of small neutral solutes from water based on their known ability to separate small organic molecules. CMS has been extensively examined for gas and organic solvent separations, but the transport of organic and aqueous mixtures through CMS microstructures is poorly understood. In this work, we investigated the sorption, diffusion, and permeation behavior of organic compounds and water in poly(vinylidene fluoride)(PVDF)-derived CMS (PVDF-CMS). Experimental observations of diffusion, sorption, and permeation shows how the properties of penetrants such as polarity and molecular size affect the transport rates and selectivity. These basic transport and sorption parameters are utilized in sorption-diffusion models to permeation rates of water-organic mixtures in CMS membranes. The transport of water and p-xylene in CMS was experimentally confirmed to follow the sorption-diffusion mechanism. The sorption-diffusion model ideal permselectivity indicates that the CMS is p-xylene selective over water. Water/p-xylene mixture permeation experiments revealed an increased selectivity of p-xylene over water, thus providing tentative evidence for a competitive sorption-selective separation mechanism. Furthermore, this work suggests that CMS membranes exhibit organic-permeable separation properties in water/organic separations. The results presented here highlight the potential for the removal of dilute organics in water via CMS pervaporation membranes.

02 PETROLEUM↗

Evaluation of nefazodone-induced cardiotoxicity in human induced pluripotent stem cell-derived cardiomyocytes

The recent establishment of human induced pluripotent stem cell-derived cardiomyocytes (hiPSC-CMs), which express the major cardiac ion channels and recapitulate spontaneous mechanical and electrical activities, may provide a possible solution for the lack of in vitro human-based cardiotoxicity testing models. Cardiotoxicity induced by the antidepressant nefazodone was previously revealed to cause an acquired QT prolongation by hERG channel blockade. To elucidate the cellular mechanisms underlying the cardiotoxicity of nefazodone beyond hERG, its effects on cardiac action potentials (APs) and ion channels were investigated using hiPSC-CMs with whole-cell patch clamp techniques. In a proof of principle study, we examined the effects of cardioactive channel blockers on the electrophysiological profile of hiPSC-CMs in advance of the evaluation of nefazodone. Nefazodone dose-dependently prolonged the AP duration at 90% (APD{sub 90}) and 50% (APD{sub 50}) repolarization, reduced the maximum upstroke velocity (dV/dt{sub max}) and induced early after depolarizations. Voltage-clamp studies of hiPSC-CMs revealed that nefazodone inhibited various voltage-gated ion channel currents including I{sub Kr}, I{sub Ks}, I{sub Na}, and I{sub Ca}. Among them, I{sub Kr} and I{sub Na} showed relatively higher sensitivity to nefazodone, consistent with the changes in the AP parameters. In summary, hiPSC-CMs enabled an integrated approach to evaluate the complex interactions of nefazodone with cardiac ion channels. These results suggest that hiPSC-CMs can be an effective model for detecting drug-induced arrhythmogenicity beyond the current standard assay of heterologously expressed hERG K{sup +} channels. - Highlights: • Nefazodone prolonged APD and decreased upstroke velocity of APs in hiPSC-CMs. • Nefazodone inhibited cardiac ion channels, especially I{sub Kr} and I{sub Na}, in hiPSC-CMs. • Nefazodone-induced AP changes are mainly the result of I{sub Kr} and I{sub Na} inhibition. • hiPSC-CMs are sensitive model to validate nefazodone-induced cardiotoxicity. • hiPSC-CMs provide an integrated approach for evaluating mechanism of drug actions.

60 APPLIED LIFE SCIENCES↗

New Insights into Physical Aging‐Induced Structure Evolution in Carbon Molecular Sieve Membranes

Abstract Carbon molecular sieve (CMS) membranes offer the best available combination of scalable economical processability with excellent separation performance. Physical aging of CMS membranes causes pore structure changes over time that affect CMS membrane performance. To provide fundamental insights into the structure evolution in CMS membranes during physical aging, a combined dual‐mode sorption and transport model is used in this study to characterize the diffusion coefficients of gas molecules in fresh and 7‐day vacuum aged CMS membranes. The results show physical aging of CMS membrane is primarily “diffusion related” and such aging behavior simultaneously causes ultramicropore changes in the continuous phase and Langmuir phase of CMS membrane. The new insights offered in this study suggest strategies to control the physical aging of CMS membranes and even use it as a valuable tool to tune the separation performance of CMS membranes for demanding gas separations.

Liu, Zhongyun↗

New Insights into Physical Aging-Induced Structure Evolution in Carbon Molecular Sieve Membranes

Carbon molecular sieve (CMS) membranes offer the best available combination of scalable economical processability with excellent separation performance. Physical aging of CMS membranes causes pore structure changes over time that affect CMS membrane performance. To provide fundamental insights into the structure evolution in CMS membranes during physical aging, a combined dual-mode sorption and transport model is used in this study to characterize the diffusion coefficients of gas molecules in fresh and 7-day vacuum aged CMS membranes. Further, the results show physical aging of CMS membrane is primarily “diffusion related” and such aging behavior simultaneously causes ultramicropore changes in the continuous phase and Langmuir phase of CMS membrane. The new insights offered in this study suggest strategies to control the physical aging of CMS membranes and even use it as a valuable tool to tune the separation performance of CMS membranes for demanding gas separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

From Mouse to Human: Cellular Morphometric Subtype Learned From Mouse Mammary Tumors Provides Prognostic Value in Human Breast Cancer

Mouse models of cancer provide a powerful tool for investigating all aspects of cancer biology. In this study, we used our recently developed machine learning approach to identify the cellular morphometric biomarkers (CMB) from digital images of hematoxylin and eosin (H&E) micrographs of orthotopic Trp53-null mammary tumors (n = 154) and to discover the corresponding cellular morphometric subtypes (CMS). Of the two CMS identified, CMS-2 was significantly associated with shorter survival (p = 0.0084). We then evaluated the learned CMB and corresponding CMS model in MMTV-Erbb2 transgenic mouse mammary tumors (n = 53) in which CMS-2 was significantly correlated with the presence of metastasis (p = 0.004). We next evaluated the mouse CMB and CMS model on The Cancer Genome Atlas breast cancer (TCGA-BRCA) cohort (n = 1017). Kaplan–Meier analysis showed significantly shorter overall survival (OS) of CMS-2 patients compared to CMS-1 patients (p = 0.024) and added significant prognostic value in multi-variable analysis of clinical and molecular factors, namely, age, pathological stage, and PAM50 molecular subtype. Thus, application of CMS to digital images of routine workflow H&E preparations can provide unbiased biological stratification to inform patient care.

60 APPLIED LIFE SCIENCES↗

Development of BEM for ceramic composites

BEST-CMS (boundary element solution technology - composite modeling system) is an advanced engineering system for the micro-analysis of fiber composite structures. BEST-CMS is based upon the boundary element program BEST3D which was developed for NASA by Pratt and Whitney Aircraft and the State University of New York at Buffalo under contract NAS3-23697. BEST-CMS presently has the capabilities for elastostatic analysis, steady-state and transient heat transfer analysis, steady-state and transient concurrent thermoelastic analysis, and elastoplastic and creep analysis. The fibers are assumed to be perfectly bonded to the composite matrix, or in the case of static or steady-state analysis, the fibers may be assumed to have spring connections, thermal resistance, and/or frictional sliding between the fibers and the composite matrix. The primary objective of this user's manual is to provide an overview of all BEST-CMS capabilities, along with detailed descriptions of the input data requirements. In the next chapter, a brief review of the theoretical background is presented for each analysis category. Then, chapter three discusses the key aspects of the numerical implementation, while chapter four provides a tutorial for the beginning BEST-CMS user. The heart of the manual, however, is in chapter five, where a complete description of all data input items is provided. Within this chapter, the individual entries are grouped on a functional basis for a more coherent presentation. Chapter six includes sample problems and should be of considerable assistance to the novice. Chapter seven includes capsules of a number of fiber-composite analysis problems that have been solved using BEST-CMS. This chapter is primarily descriptive in nature and is intended merely to illustrate the level of analysis that is possible within the present BEST-CMS system. Chapter eight contains a detail description of the BEST-CMS Neutral File which is helpful in writing an interface between BEST-CMS and any graphic post-processor program. Finally, all pertinent references are listed in chapter nine.

Henry, D. P.↗

Intelligent systems and advanced user interfaces for design, operation, and maintenance of command management systems

Historically, command management systems (CMS) have been large and expensive spacecraft-specific software systems that were costly to build, operate, and maintain. Current and emerging hardware, software, and user interface technologies may offer an opportunity to facilitate the initial formulation and design of a spacecraft-specific CMS as well as to develop a more generic CMS system. New technologies, in addition to a core CMS common to a range of spacecraft, may facilitate the training and enhance the efficiency of CMS operations. Current mission operations center (MOC) hardware and software include Unix workstations, the C/C++ programming languages, and an X window interface. This configuration provides the power and flexibility to support sophisticated and intelligent user interfaces that exploit state-of-the-art technologies in human-machine interaction, artificial intelligence, and software engineering. One of the goals of this research is to explore the extent to which technologies developed in the research laboratory can be productively applied in a complex system such as spacecraft command management. Initial examination of some of these issues in CMS design and operation suggests that application of technologies such as intelligent planning, case-based reasoning, human-machine systems design and analysis tools (e.g., operator and designer models), and human-computer interaction tools (e.g., graphics, visualization, and animation) may provide significant savings in the design, operation, and maintenance of the CMS for a specific spacecraft as well as continuity for CMS design and development across spacecraft. The first six months of this research saw a broad investigation by Georgia Tech researchers into the function, design, and operation of current and planned command management systems at Goddard Space Flight Center. As the first step, the researchers attempted to understand the current and anticipated horizons of command management systems at Goddard. Preliminary results are given on CMS commonalities and causes of low re-use, and methods are proposed to facilitate increased re-use.

Potter, William J.↗

Further Developments of BEM for Micro and Macromechanical Analyses of Composites: Boundary Element Software Technology-Composite User's Manual

BEST-CMS (Boundary Element Solution Technology - Composite Modeling System) is an advanced engineering system for the micro-analysis of fiber composite structures. BEST-CMS is based upon the boundary element program BEST3D which was developed for NASA by Pratt and Whitney Aircraft and the State University of New York at Buffalo under contract NAS3-23697. BEST-CMS presently has the capabilities for elastostatic analysis, steady-state and transient heat transfer analysis, steady-state and transient concurrent thermoelastic analysis and elastoplastic and creep analysis. The fibers are assumed to be perfectly bonded to the composite matrix, or in the case of static or steady-state analysis, the fibers may be assumed to have spring connections, thermal resistance, and/or frictional sliding between the fibers and the composite matrix. The primary objective of this User's Manual is to provide an overview of all BEST-CMS capabilities, along with detailed descriptions of the input data requirements. A brief review of the theoretical background is presented for each analysis category. Then, Chapter 3 discusses the key aspects of the numerical implementation, while Chapter 4 provides a tutorial for the beginning BEST-CMS user. The heart of the manual, however, is in Chapter 5, where a complete description of all data input items is provided. Within this chapter, the individual entries are grouped on a functional basis for a more coherent presentation. Chapter 6 includes sample problems and should be of considerable assistance to the novice. Chapter 7 includes capsules of a number of fiber-composite analysis problems that have been solved using BEST-CMS. This chapter is primarily descriptive in nature and is intended merely to illustrate the level of analysis that is possible within the present BEST-CMS system. Chapter 8 contains a detailed description of the BEST-CMS Neutral File which is helpful in writing an interface between BEST- CMS and any graphic post-processor program. Finally, all pertinent references are listed in Chapter 9.

Banerjee, P. K.↗

Building Environmental Justice and Equity into the Development of Critical Mineral Industries

The global transition toward low-carbon energy not only means an increase in demand for clean electricity and renewable resources, but also an increase in demand for the critical minerals (CMs) and rare earth elements (REEs) that these technologies rely upon. Indeed, low-carbon energy technologies, such as those used for wind turbines and electric vehicle motors, require significantly more lithium, nickel, cobalt, manganese, graphite, and other CMs than fossil-based energy technologies. The growing demand for new forms of low- carbon energy will necessitate a proportional scale-up of CM and REE extraction and processing. Presently, the majority of extraction and processing activities for CMs and REEs are concentrated in very few countries, primarily in China and the Global South. CM and REE supply chain activities conducted in or controlled by these countries are commonly associated with widespread and well- documented human rights abuses and environmental degradation. As a result of concerns related to supply chain security, worker welfare, and the overall need for additional sources of CMs and REEs, governments worldwide have begun to explore policy pathways for the development of new supply chains. The development of new supply chains for CMs and REEs re s a multifold opportunity to accelerate the global deployment of low-carbon energy fleets, reduce global carbon emissions, build political resilience—and also to enhance policy objectives of environmental justice and equity in the clean energy transition. Fulfilling these policy objectives requires energy producers to navigate a maze of global supply chain policies designed to shape and accelerate the growth of new markets. In the United States, for instance, President Biden recently implemented fiscal and trade policies that incentivize both domestic and global reliance on U.S.-produced CMs and REEs, leveraging key relationships in Asia and Europe to ensure the accelerated buildout of the U.S. supply chain. The Biden Administration’s framework also emphasizes that new supply chains for CMs, REEs, and other low-carbon energy pathways must generate benefits for marginalized and disadvantaged communities, build energy equity, and contribute to the Biden Administration’s vision of environmental justice. present CM and REE supply chains include several stages, including mining, processing, transport, utilization, and disposal, each of which involves different environmental justice considerations and potential injustices. This study explores how technical innovation, paired with responsible community engagement and empowerment, can help inform the development of energy equity and environmental justice at all stages of new supply chains. The study highlights these opportunities on a broad scale. We also lend a specific focus to research at the University of Wyoming School of Energy Resources that aims to guide the development of CM and REE industries in communities with high economic dependence on coal and other fossil fuel industries, identifying pathways to grow a U.S. domestic supply chain by producing CMs from coal, coal by-products, and coal waste streams. These production pathways represent a potential new supply for CMs across the U.S. and elsewhere, thereby enhancing national security and accelerating the widespread deployment of low-carbon energy technologies, while also generating alternative applications for remaining coal reserves and aiding in a just transition for rural energy-producing communities.

Gerace, Selena↗

Experimental High Energy Physics Research

This final report summarizes activities of the Florida Tech High Energy Physics group supported by DOE under grant #DE-SC0008024 during the period June 2012 – March 2015. We focused on one of the main HEP research thrusts at the Energy Frontier by participating in the CMS experiment. We were exploiting the tremendous physics opportunities at the Large Hadron Collider (LHC) and prepared for physics at its planned extension, the High-Luminosity LHC. The effort comprised a physics component with analysis of data from the first LHC run and contributions to the CMS Phase-2 upgrades in the muon endcap system (EMU) for the High-Luminosity LHC. The emphasis of our hardware work was the development of large-area Gas Electron Multipliers (GEMs) for the CMS forward muon upgrade. We built a production and testing site for such detectors at Florida Tech to complement future chamber production at CERN. The first full-scale CMS GE1/1 chamber prototype ever built outside of CERN was constructed at Florida Tech in summer 2013. We conducted two beam tests with GEM prototype chambers at CERN in 2012 and at FNAL in 2013 and reported the results at conferences and in publications. Principal Investigator Hohlmann served as chair of the collaboration board of the CMS GEM collaboration and as co-coordinator of the GEM detector working group. He edited and authored sections of the detector chapter of the Technical Design Report (TDR) for the GEM muon upgrade, which was approved by the LHCC and the CERN Research Board in 2015. During the course of the TDR approval process, the GEM project was also established as an official subsystem of the muon system by the CMS muon institution board. On the physics side, graduate student Kalakhety performed a Z' search in the dimuon channel with the 2011 and 2012 CMS datasets that utilized 20.6 fb⁻¹ of p-p collisions at √s = 8 TeV. For the dimuon channel alone, the 95% CL lower limits obtained on the mass of a Z' resonance are 2770 GeV for a Z' with the same standard-model couplings as the Z boson. Our student team operated a Tier-3 cluster on the Open Science Grid (OSG) to support local CMS physics analysis and remote OSG activity. As a service to the HEP community, Hohlmann participated in the Snowmass effort over the course of 2013. Specifically, he acted as a liaison for gaseous detectors between the Instrumentation Frontier and the Energy Frontier and contributed to five papers and reports submitted to the summer study.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

6FDA-DETDA: DABE polyimide-derived carbon molecular sieve hollow fiber membranes: Circumventing unusual aging phenomena

Transport properties are discussed for asymmetric carbon molecular sieve (CMS) hollow fiber membranes based on polyimide precursors derived from a butanol esterified diamino benzoic acid (DABA) based polyimide, 6FDA-DETDA:DABE. Precursor fiber pretreatment with 10% Ethenyl(trimethoxy)silane [vinyltrimethoxysilane (VTMS)] solution in hexane followed by pyrolysis at 550 °C in ultra-high purity argon created asymmetric CMS fibers with CO 2 permeance above 1000 GPU and CO 2 /CH 4 selectivities > 25. Storage of the as-made modules for 72 days in 7 bar CO 2 suppressed undesirable aging typically seen under vacuum or atmospheric pressure air and provided CO 2 permeance and CO 2 /CH 4 selectivity of 780 GPU and 48 respectively. These results are in contrast to significant losses in CO 2 permeance and CO 2 /CH 4 selectivity for CMS created under equivalent pyrolysis conditions from non-esterified 6FDA-DETDA: DABA variant, even under CO 2 storage. The 6FDA-DETDA: DABA-derived CMS results were surprising, since dense film CMS samples from the same precursors did not show the undesirable permeance and selectivity changes. Moreover, other non-DABA containing precursors in dense film and asymmetric fiber forms can be effectively stabilized under CO 2 storage. Such findings suggest that high residual stress in the freshly formed thin selective layers of asymmetric structures in DABA-derived CMS causes undesirable micro-scale rearrangements. In dense films and even asymmetric skins of non-DABA derived CMS membranes, evidence of such undesirable rearrangements are not apparent. DABA-derived cross-links are presumably the cause of these effects. Mono-esterification of 6FDA-DETDA: DABA to form 6FDA-DETDA: DABE controls such crosslinking-derived stresses and resultant instabilities in the CMS fibers, thereby providing stable high performance gas separation properties under CO 2 storage or use in mixed gas feeds.

03 NATURAL GAS↗

Intercomparison of Three Continuous Monitoring Systems on Operating Oil and Gas Sites

We compare continuous monitoring systems (CMS) from three different vendors on six operating oil and gas sites in the Appalachian Basin using several months of data. We highlight similarities and differences between the three CMS solutions when deployed in the field and compare their output to concurrent top-down aerial measurements and to site-level bottom-up inventories. Furthermore, we compare vendor-provided emission rate estimates to estimates from an open-source quantification algorithm applied to the raw CMS concentration data. This experimental setup allows us to separate the effect of the sensor platform (i.e., sensor type and arrangement) from the quantification algorithm. We find that 1) localization and quantification estimates rarely agree between the three CMS solutions on short time scales (i.e., 30 min), but temporally aggregated emission rate distributions are similar between solutions, 2) differences in emission rate distributions are generally driven by the quantification algorithm, rather than the sensor platform, 3) agreement between CMS and aerial rate estimates varies by CMS solution but is close to parity when CMS estimates are averaged across solutions, and 4) similar sites with similar bottom-up inventories do not necessarily have similar emission characteristics. These results have important implications for developing measurement-informed inventories and for incorporating CMS-inferred emission characteristics into emission mitigation efforts.

54 ENVIRONMENTAL SCIENCES↗