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At least 1,747 records · Page 97

Dynamics of Back Electron Transfer in Dye-Sensitized Solar Cells Featuring 4-tert-Butyl-Pyridine and Atomic-Layer-Deposition Alumina as Surface Modifiers.

A series of dye-sensitized solar cells (DSCs) was constructed with TiO2 nanoparticles and N719 dye. The standard I-3(-)/I- redox shuttle and the Co(1,10-phenanthroline)(3)(3+/2+) shuttle were employed. DSCs were modified with atomic-layered-deposited (ALD) coatings of Al2O3 and/or with the surface-adsorbing additive 4-tert-butyl-pyridine. Current-voltage data were collected to ascertain the influence of each modification upon the back electron transfer (ET) dynamics of the DSCs. The primary effect of the additives alone or in tandem is to increase the open-circuit voltage. A second is to alter the short-circuit current density, J(SC). With dependence on the specifics of the system examined, any of a myriad of dynamics-related effects were observed to come into play, in both favorable (efficiency boosting) and unfavorable (efficiency damaging) ways. These effects include modulation of (a) charge-injection yields, (b) rates of interception of injected electrons by redox shuttles, and (c) rates of recombination of injected electrons with holes on surface-bound dyes. In turn, these influence charge-collection lengths, charge-collection yields, and onset potentials for undesired dark current. The microscopic origins of the effects appear to be related mainly to changes in driving force and/or electronic coupling for underlying component redox reactions. Perhaps surprisingly, only a minor role for modifier-induced shifts in conduction-band-edge energy was found. The combination of DSC-efficiency-relevant effects engendered by the modifiers was found to vary substantially as a function of the chemical identity of the redox shuttle employed. While types of modifiers are effective, a challenge going forward will be to construct systems in ways in which the benefits of organic and inorganic modifiers can be exploited in fully additive, or even synergistic, fashion.

Katz, Michael J.↗

Coligand-regulated assembly, fluorescence, and magnetic properties of Co(II) and Cd(II) complexes with a non-coplanar dicarboxylate

A non-coplanar dicarboxylate ndca (H{sub 2}ndca=5-norbornene-2,3-dicarboxylic acid), combining with various dipyridyl-typed tectons, constructs six Cd(II)/Co(II) coordination polymers under hydrothermal conditions, namely [Co(ndca)(H{sub 2}O)]{sub n} (1), ([Co(ndca)(bpe)(H{sub 2}O)]·H{sub 2}O){sub n} (2), [Co(ndca)(bpa){sub 0.5}(H{sub 2}O)]{sub n} (3), [Cd(ndca)(bpe)(H{sub 2}O)]{sub n} (4), ([Cd(ndca)(bpa)(H{sub 2}O)]·0.5H{sub 2}O){sub n} (5), and ([Cd(ndca)(bpp) (H{sub 2}O)]·H{sub 2}O){sub n} (6) (bpe=1,2-di(4-pyridyl)ethylene, bpa=1,2-bi(4-pyridyl)ethane, and bpp=1,3-bis(4-pyridyl)propane). All these compounds contain various metal(II)–carboxylate motifs, including carboxylate binuclear (2, 4, 5), carboxylate chain (1, 6) and carboxylate layer (3), which are further extended by dipyridyl-typed coligands to afford a vast diversity of the structures with 2D pyknotic layers (1, 6), 2D open layer (5), 2D→3D interpenetrated networks (2,4), and 3D pillared-layer framework (3), respectively. In addition, fluorescent spectra of Cd(II) complexes and magnetic properties of Co(II) complexes are also given. - Graphical abstract: Six various cadmium(II)/cobalt(II)–organic frameworks were constructed by 5-norbornene-2,3-dicarboxylic acid and different bis(pyridine) rod-like tectons, and Cd (II) complexes exhibit blue–violet emissions, whereas Co (II) complexes show antiferromagnetic behaviours. Display Omitted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

U.S. department of energy safety design strategy review and approval beyond critical decision 3 for the high-level waste facility - 15525

The Waste Treatment and Immobilization Plant (WTP) in Hanford, Washington, is the nation's largest environmental remediation construction project. In 2012, at the WTP's High-Level Waste (HLW) Facility, the U.S. Department of Energy (DOE), Office of River Protection (ORP) restricted construction work at the Hazard Category 2 nuclear facility because of unresolved technical issues associated with the facility and of misalignment of the design and nuclear safety basis. By 2013, as additional issues were discovered, ORP limited HLW design and procurement activities. Addressing the technical issues and the misalignment of the design basis with the Preliminary Documented Safety Analysis (PDSA) is a priority for ORP. A proposal was developed to use the concept of a safety design strategy (SDS), as documented in DOE-STD-1189-2008, Integration of Safety into the Design Process, as a planning mechanism to support facility design and PDSA alignment. The standard provides the processes to develop an SDS that will ensure safety is integrated into design early in the project, by the start of preliminary design. Ultimately, as design progresses, an SDS is intended to support development of the project's PDSA. However, in this unique case, the HLW Facility design and construction phase has progressed beyond Critical Decision 3 and DOE-STD-1189-2008 was issued in 2008; 6 years after ORP approved the first WTP PDSA. In July 2013, ORP and the contractor recognized that the unresolved technical issues and design - safety basis misalignment should be addressed through a renewed look at nuclear safety requirements, and agreed that developing an SDS tailored to the criteria in DOE-STD-1189-2008 provided the best path forward to better integrate design and safety. Development of the SDS for the HLW Facility was one of many goals ORP established in a plan that describes how ORP will determine whether, and under what conditions, the contractor should be authorized to proceed with production engineering, procurement, and construction activities for the HLW Facility. Over the next several months, the contractor developed the draft SDS, identifying design basis accidents and control strategies for those accidents. ORP monitored progress and, when appropriate, provided recommendations. In April 2014, the contractor provided a draft SDS to ORP for initial review by an independent DOE Review Team. The Review Team was comprised of representatives from nuclear safety, criticality safety, engineering, fire protection, the Office of Environmental Management, the Assistant Manager WTP, and the DOE Chief of Nuclear Safety. A unique draft document review and interactive review process, facilitated through work sessions and continuous communication with the contractor, culminated in the development of 147 technical comments on topics varying from SDS implementation to hydrogen deflagration in vessels. Comment resolution sought to improve project clarity, delineation of control strategies, and, holistically, facilitate integration of safety into design in the SDS, as it will guide the restart of the HLW Facility production engineering and limited procurement and construction activities. All comments were resolved in support of a contractor submission of the final SDS to ORP at the end of June 2014. Successful resolution of these comments was achieved by continuing the real-time response and incorporation interaction with the contractor to ensure that mutual objectives were satisfied. The response times were facilitated through telephone, E-mail, and a shared file server accessible to contractor and DOE reviewers across the DOE complex. As a measure of success of this process, the Safety Basis Approval Authority (ORP Manager) and the WTP Federal Project Director approved the SDS on August 1, 2014, with no conditions of approval. DOE and the contractor recognized that it would be difficult to implement the SDS without changes to the existing contractor's engineering and nuclear safety processes. Accordingly, the contractor developed or revised a significant number of engineering and nuclear safety plans and procedures to implement the SDS into the design process. Over the coming year, the contractor will conduct a gap analysis between the SDS and the presently approved PDSA to incorporate the design basis accidents and preferred control strategies developed from the SDS into the PDSA. In addition, ORP will conduct an assessment of the contractor's implementation of the SDS into the design process at the appropriate stage of implementation, within 6 to 12 months of approval. Although the SDS was developed late in the HLW project timeline, the document will facilitate alignment of design and the safety basis, and is a key step in the return to full production engineering for the HLW Facility. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A Condensed Constrained Nonconforming Mortar-Based Approach for Preconditioning Finite Element Discretization Problems

This paper presents and studies an approach for constructing auxiliary space preconditioners for finite element problems using a constrained nonconforming reformulation that is based on a proposed modified version of the mortar method. The well-known mortar finite element discretization method is modified to admit a local structure, providing an element-by-element or subdomain-by-subdomain assembly property. This is achieved via the introduction of additional trace finite element spaces and degrees of freedom (unknowns) associated with the interfaces between adjacent elements or subdomains. The resulting nonconforming formulation and a reduced-via-static-condensation Schur complement form on the interfaces are used in the construction of auxiliary space preconditioners for a given conforming finite element discretization problem. Overall, the properties of these preconditioners are studied and their performance is illustrated on model second order scalar elliptic problems utilizing high order elements.

97 MATHEMATICS AND COMPUTING↗

Effect of Al{sub 2}O{sub 3} Addition on Mineralogical Modification and Crystallization Kinetics of a High Basicity BOF Steel Slag

Basic oxygen furnace (BOF) steel slag is a main byproduct that is produced during the converter steelmaking process. The volume instability and fast crystallization of BOF slag limits its added-value application. This article aims to understand the effect of Al{sub 2}O{sub 3} on the mineralogical modification and crystallization kinetics of a high basicity BOF steel slag. Continuous cooling transformation and time–temperature–transformation curves were constructed to determine the crystallization characteristics of BOF slag. The critical cooling rate to vitrify the slag was experimentally obtained. The crystallization sequence was clarified by integrating in situ and post-mortem observations with thermodynamic calculations. The results suggest that the addition of Al{sub 2}O{sub 3} can effectively remove free lime, decrease the melting point, and improve the glass formation ability of the high basicity BOF slag. Undercooling the slag is enhanced by increasing the cooling rate and/or adding Al{sub 2}O{sub 3}. By steering the addition of Al{sub 2}O{sub 3} and the cooling rate, BOF slag can be modified to obtain a more amorphous phase, presenting an enhanced potential to be a binder for added-value applications.

36 MATERIALS SCIENCE↗

Constructing Robust Electrode/Electrolyte Interphases to Enable Wide Temperature Applications of Lithium-Ion Batteries

The electrolyte generally dictates the working temperature range of lithium ion batteries (LIBs), thus developing new class of electrolytes (primarily functional additives) in LIBs for wide temperature applications will be quite essential for further development of LIBs for electric vehicle market. In this study, we develop new functional electrolytes containing multiple additives to enable the LIBs to perform well in a wide temperature range from -40°C to 60°C. Importantly, those cells based on the above optimized electrolytes have been proven to behave significantly enhanced discharging performance at -40°C, the long-term cycling stability at 25°C (more than 85% of capacity retention after 1000 cycles at 1C/1C rates in 1 Ah pouch cells), as well as the obviously improved cycling stability at 60°C. These remarkable cell performances originate from the highly conductive, uniform and compact passivating films formed on both anode and cathode surfaces by the synergistic effects of the multiple additives. Our finding on the synergistic benefits originating from certain additive combination in the optimized electrolytes would favorably widen the working temperature range of future high-performance LIBs.

Lithium ion battery, electrolyte, additive, electr↗

Predicting Li-Ion Battery Capacity Fade Using Early-Life Data and a Hybrid Data-Driven Gaussian Process-Bayesian Regression Approach

Accurately predicting Li-ion battery capacity trajectories using early-life data can dramatically improve battery-life understandings and be used to rapidly evaluate design/cost/performance trade-offs when developing new battery materials. Accurate early-life predictions enable researchers to quickly iterate over cell designs and material precursor properties without consistently cycling cells to failure. To this end, we present a toolbox that uses a combined Gaussian Process and Bayesian regression approach that capitalizes on signals other than just capacity (e.g., dQ/dV, voltage drops) to rapidly predict capacity-fade trajectories. The prediction tool uses Bayesian regression to fit functional forms, e.g., power law, sigmoids, etc., to predict capacity-fade dynamics. By fitting functional forms, the capacity fade can be interrogated at any point in the future, allowing for early cell-failure prediction. Additionally, Bayesian regression allows for accurate uncertainty estimates that account for cell-to-cell variability (aleatoric uncertainty) and the lack of observation data (epistemic uncertainty). By only using early cycle data to predict the capacity fade trajectory, uncertainty bounds at end-of-life can be extremely large. The large uncertainty bounds are further exacerbated because there is no systematic way to define the prior distribution of the functional forms' parameters. We improve our the predicted trajectory confidence interval of our predicted trajectory using two methods. First, we shows that a small amount of held-out cycling data is sufficientuse some train cells, that have been cycled to failure to derive information regarding the appropriate prior distributions for the functional forms' parameters of the functional form, effectively leading to data-driven priors.. We propose constructing the data-driven priors by first running a Bayesian regression starting with uninformed priors to generate intermediate cell-specific posterior parameter distributions. These posterior distributions are combined using a Ggaussian mixture model for each parameter to create the data-driven priors. These mixture models serve as the data-driven prior distributions for the parameters for. Second, we derive multiple features, e.g., C_dchg 0.5 DoD 0.5, log (|mean(dQ/dV_(w_3-w_0 ) (V)|), etc., from the train cellsheld-out cycling data, identify which the features are that best predicting capacity at early/mid-life cycles, and then create Ggaussian process regression models that are used for predicting capacity at early/mid-life cycles for the test cells (see blue dots with error bars in Fig 1b). Finally, these predicted data-points are used in addition to the actual early cycle data capacity fade to construct the Bayesian regression trajectory for the test cell s. Notably. We note that these two methods are complementary and can be combined with each other. We evaluate the performance of our proposed method on an testing open-source dataset from Iowa State University and Iowa Lakes Community College (ISU-ILCC). This dataset comprises of 251 nickel-manganese-cobalt/graphite Lithium-ion cells that are cycled under 63 different conditions. We compute the mean average percentage error (MAPE) and negative log predictive density (NLPD) to quantify the efficacy of our method. Our initial findings suggest that, when only few observations are available, for test cells, when using only Bayesian regression with uninformed priors, a power law functional provides the most accurate predictions. with very few data points. However, asHowever, a the number of data points increases, a twin sigmoidal function becomes more accurate as the number of observations further increases. We also find that using as little as 10% of the data set towards generating data-driven priors can lead to significant improvement in prediction accuracy when using early cycle data. Lastly, we found that augmenting early-cycle data with Gaussian process-predicted capacity data for Bayesian regression greatly improves the prediction accuracy. We will present a comprehensive comparison of our methods to other methods available in the literature and apply this method to additional battery datasets.

42 ENGINEERING↗

SU-F-T-668: Irradiating Mouse Brain with a Clinical Linear Accelerator

Purpose: To design and construct a “mouse jig” device that would allow for irradiation of the mouse brain with a clinical Varian 6 MeV Linear Accelerator. This device must serve as a head immobilizer, gaseous anesthesia delivery, and radiation bolus concurrently. Methods: The mouse jig was machined out of nylon given that it is inexpensive, easy to machine, and has similar electron density to water. A cylindrical opening with diameter of 16 mm and 40 mm depth was drilled into a nylon block sized 56×56×50 mm (width, length, depth). Additional slots were included in the block for ear bars and a tooth bar to serve as a three-point immobilization device as well as for anesthesia delivery and scavenging. For ease of access when loading the mouse into the holder, there is a removable piece at the top of the block that is 15 mm in depth. This serves a dual purpose, as with the proper extra shielding, the mouse jig could be used with lower linear energy transfer photons with this piece removed. A baseplate was then constructed with five square slots where the mouse jig can securely be inserted plus additional slots that would allow the baseplate to be mounted on a standard lock bar in the treatment couch. This maximizes the reproducibility of placement between imaging and treatment and between treatment sessions. Results: CT imaging and radiation treatment planning was performed that showed acceptable coverage and uniformity of radiation dose in the mouse brain while sparing the throat and eyes. Conclusion: We have designed and manufactured a device that fulfills our criteria allowing us to selectively irradiate the mouse brain with a clinical linear accelerator. This setup will be used for generating mouse models of radiation-induced brain injury.

60 APPLIED LIFE SCIENCES↗

From orbital debris capture systems through internal combustion engines on Mars

The investigation and conceptualization of an orbital debris collector was the primary area of design. In addition, an alternate structural design for Space Station Freedom and systems supporting resource utilization at Mars and the moon were studied. Hardware for production of oxygen from simulate Mars atmosphere was modified to permit more reliable operation at low pressures (down to 10 mb). An internal combustion engine was altered to study how Mars atmosphere could be used as a diluent to control combustion temperatures and avoid excess Mars propellant production requirements that would result from either methane-rich or oxygen-rich, methane-oxygen combustion. An elastic loop traction system that could be used for lunar construction vehicles was refined to permit testing. A parabolic heat rejection radiator system was designed and built to determine whether it was capable of increasing heat rejection rates during lunar daytime operation. In addition, an alternate space station truss design, utilizing a pre-integrated concept, was studied and found to reduce estimate extravehicular activity (EVA) time and increase the structural integrity when compared to the original Warren truss concept. An orbital-debris-capturing spacecraft design which could be mated with the Orbital Maneuvering Vehicle was studied. The design identified Soviet C-1B boosters as the best targets of opportunity in Earth orbits between an altitude of 900 km and 1100 km and at an inclination of 82.9 deg. A dual robot pallet, which could be spun to match the tumbling rate of the C-1B booster, was developed as the conceptual design.

Source record↗

An algorithm for physics informed scan path optimization in additive manufacturing

Site specific microstructure control is a critical research area within the field of additive manufacturing due to its potential to revolutionize part performance. One way to achieve site specific microstructure control is through control of the solidification conditions via the construction of intricate scan paths; however, the search space for such a problem is large. Previous attempts only considered the solidification conditions at the top surface while also requiring either lots of manual-fine tuning or large amounts of computational resources. This paper introduces a general method for scan path optimization which considers the solidification conditions in the bulk of the material without an increase in computational expense. This method consists of three core components:1. A heat transfer model for simulating the temperature field at a given time.2. A surrogate model which takes scan pattern information and temperature data and predicts the solidification conditions of the bulk as well as the meltpool depths for a spot melt.3. A decision algorithm to decide which spot melt should be printed next based on the outputs of the surrogate model.Each of these components can be changed without changing the overall method. Within this work, this method is applied in the creation of an algorithm containing a semi-analytic heat transfer model to simulate the temperature field, a fully convolutional neural network (FCNN) as the surrogate model, and a greedy decision algorithm. The resulting algorithm produced complex scan patterns which gave strong results for simulated microstructure control.

36 MATERIALS SCIENCE↗

Subsonic Ultra Green Aircraft Research: Phase IV Final Report – Volume I Mach 0.80 Transonic Truss-Braced Wing High-Speed Design Report

This design report summarizes work performed by the Boeing Subsonic Ultra-Green Aircraft Research (SUGAR) team from December 2016 through June 2018. In Phase IV of the SUGAR program, Boeing is working to improve the productivity of a TTBW configuration by updating the Mach 0.745 vehicle concept to operate efficiently at Mach 0.80. Due to the aerodynamic and structural design challenges associated with adapting the design to a higher speed, design tasks have been broken into several subtasks. The information in this report (Volume I) documents the development of a Mach 0.80 vehicle outer mold line, maturation of TTBW structural concepts, and presents a preliminary high-liftsystem assessment. Results from these studies were integrated into an aircraft-level performance code that estimates the benefits of TTBW technology, both on its own and as a part of the SUGAR integrated technology suite. The aerodynamic performance results presented herein detail the high cruise efficiency of the TTBW concept operating at M=0.80. Results from the RANS code OVERFLOW indicate that the TTBW is aerodynamically well suited for operation at the design M=0.80 transonic cruise Mach number. Aircraft-level performance predictions show that the TTBW offers a 7.2% improvement in fuel burn (per seat) for an economic mission of 900nm, and a 9.0% improvement in fuel burn (per seat) for a 3500nm mission with full passenger payload, relative to an aspect ratio 13 conventional tube and wing configuration of equivalent technology. Integration of the TTBW performance benefits into the SUGAR technology suite shows a 55.9% reduction in fuel burn (for the economic mission) relative to the reference (SUGAR Free) aircraft, which is a consistently sized traditional cantilever wing, single-aisle transport typical of the 2008 fleet. This benefit does not include the performance improvement potential of hybrid-electric systems studied in earlier phases of the SUGAR program Structural concept development work completed in Phase IV has identified several strut attachment concepts that are worth additional development activity – an inboard strut attachment swivel joint concept (which enables the strut to carry axial loads while avoiding strut bending induced by wing twist during flight) significantly simplifies the construction of the main strut. An outboard offset strut attachment concept holds significant potential for further reductions in wing-strut interference drag. Based on work performed to date on Phase IV and the previous phases of the SUGAR program, the TTBW concept continues to remain a viable concept for significantly improving the performance of future aircraft. High-fidelity aerodynamic analysis of the Mach 0.80 TTBW aircraft has shown fuel burn improvement that has exceeded initial expectations despite the increase in cruise Mach number. Structural concept maturation has continued to refine the TTBW structure, and has found no obvious ‘show-stoppers’ to date. Therefore, the potential benefit of improved performance through the use of a very high aspect ratio strut-braced wing continues to warrant additional study

SUGAR↗

Prototype Laboratory Concept

The prototype laboratory concept was developed to simplify the laboratory design process, and should be considered for use as a new laboratory design methodology. Many developing countries lack adequate public and animal health laboratories and typically do not have the economic means and the design and construction expertise to build a laboratory on their own. These countries rely on international sponsors to provide the funds necessary to design and construct a laboratory. However, these international sponsors are often located far away, making travel back and forth difficult, which leads to an increase in overall costs and delays for the project. The prototype laboratory concept and design methodology were developed to streamline the design process, saving time and money, while also minimizing the number of errors that typically arise using a traditional design process by providing well considered design decisions in advance of the project. By solving numerous detailed design issues early, this methodology will allow the time, attention and energies of the design team to be focused on addressing the specific needs of the end users, the unique design challenges related to a given site and scientific program, and the biosafety and biosecurity risks associated with the scientific activities planned to be conducted in the facility. While the concept could be expanded to cover other types of laboratories to date, it has primarily focused on supporting the implementation of good laboratory design best practices for infectious disease diagnostic and research laboratories for both the human and animal health sectors. This report presents the laboratory design concept and details associated with the modular layouts. It builds on the work previously provided in the interim prototype laboratory concept report delivered to the Cooperative Biological Engagement Program (CBEP) at the Defense Threat Reduction Agency (DTRA) in 2014. This report includes a number of revised and additional module layouts, more detailed information regarding laboratory finishes and equipment, engineering service information, electrical and lighting layouts, plumbing service information and two mechanical service options for each prototype module. Additionally, this report also includes a description of a cost estimating tool that will accompany this report and allow funding agencies to generate an approximate cost for the construction of a laboratory that utilizes the prototype laboratory concept modules. This report is intended to serve a complete document and includes all relevant information from the 2014 prototype laboratory concept report.

42 ENGINEERING↗

Effect of the Selective Halogenation of Small Molecule Acceptors on the Blend Morphology and Voltage Loss of High-Performance Solar Cells

Herein, the impacts of the selective halogenation at two different positions of dicyanomethylene-3-indanone (IC) end groups and inner side chains of small molecular acceptors (SMAs) on the P D :SMA interfacial interactions, blend morphology, and resulting photovoltaic properties are described. In this study, four different SMAs (A1, A2, A3, and A4) with the same molecular backbone, but with different degrees of halogenation, are synthesized. The IC end groups on the backbones of the A1 and A3, and A2 and A4 SMAs are chlorinated and fluorinated, respectively; in addition, 6-phenoxyhexyl inner side chains of the A3 and A4 are chlorinated. The SMAs are paired with a chlorinated PBDT-Cl PD to construct organic solar cells (OSCs). The PBDT-Cl:A4-based OSC exhibits the highest power conversion efficiency of 17.2%, outperforming the PBDT-Cl:A1-(13.3%), PBDT-Cl:A2-(15.6%), and PBDT-Cl:A3-based OSC (16.5%). The Cl atoms on the side chains in the A3 and A4 SMAs enhance the molecular/energetic interactions at the P D :SMA interfaces and improve the blend morphology in terms of domain purity and spacing. These effects lead to the improved fill factors and reduced voltage loss of the PBDT-Cl:A3- and PBDT-Cl:A4-based OSCs. This study demonstrates the importance of appropriate halogenation of SMAs in optimizing the blend morphology, reducing voltage loss, and improving OSC performance.

36 MATERIALS SCIENCE↗

An In Situ Formed Surface Coating Layer Enabling LiCoO 2 with Stable 4.6 V High‐Voltage Cycle Performances

Abstract The development of high‐voltage LiCoO 2 is essential for achieving lithium‐ion batteries with high volumetric energy density, however, it faces a great deal of challenges owing to the materials, structure and interfacial instability issues. In this work, a strategy is developed, through heat annealing a precoated surface layer to in situ form a high‐voltage‐stable surface coating layer, which is demonstrated to be highly effective to improve the high‐voltage performance of LiCoO 2 . It is discovered that LiCoO 2 reacts with Li 1.5 Al 0.5 Ti 1.5 (PO 4 ) 3 (LATP) at 700 °C to form exclusively spinel phases in addition to Li 3 PO 4 , which are structurally coherent to the layered lattice of LiCoO 2 . The heat annealing of the precoated thin layer of LATP enables the formation of a high‐quality surface layer. Spinel phases possess high‐voltage‐stable structures with much weaker oxidizing ability of lattice oxygen than layered structure. In addition, the Li 3 PO 4 is a good lithium‐ion conductor with excellent chemical stability at high voltages. All these benefits contribute to the construction of a uniform and conformal high‐voltage‐stable surface layer with favorable lithium conducting kinetics at the LiCoO 2 surface. The modified LiCoO 2 shows excellent 4.6 V high‐voltage cycle performance at both room temperature and 45 °C. The thermal stability is greatly enhanced as well.

Wang, Yi↗

Metal-Mediated Directional Capping of Rod-Packing Metal–Organic Frameworks

We report two new rod-packing metal–organic frameworks (RPMOF) are constructed by regulating the in situ formation of the capping agent. In CPM-s7, carboxylate linkers extend 1D manganese-oxide chains in four additional directions, forming 3D RPMOF. The substitution of Mn 2+ with a stronger Lewis acidic Co 2+ , leads to an acceleration of the hydrolysis-prone sulfonate linker, resulting in presence of sulfate ions to reduce two out of the four carboxylate-extending directions, and thus forming a new 2D rod-packing CPM-s8. Density functional theory calculations and magnetization measurements reveal ferrimagnetic ordering of CPM-s8, signifying the potential of exploring 2D RPMOF for effective low-dimensional magnetic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Learning non-Higgsable gauge groups in 4D F-theory

We apply machine learning techniques to solve a specific classification problem in 4D F-theory. For a divisor D on a given complex threefold base, we want to read out the non-Higgsable gauge group on it using local geometric information near D. The input features are the triple intersection numbers among divisors near D and the output label is the non-Higgsable gauge group. We use decision tree to solve this problem and achieved 85%-98% out-of-sample accuracies for different classes of divisors, where the data sets are generated from toric threefold bases without (4,6) curves. We have explicitly generated a large number of analytic rules directly from the decision tree and proved a small number of them. As a crosscheck, we applied these decision trees on bases with (4,6) curves as well and achieved high accuracies. Additionally, we have trained a decision tree to distinguish toric (4,6) curves as well. Finally, we present an application of these analytic rules to construct local base configurations with interesting gauge groups such as SU(3).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Lepton non-universality in B decays and fermion mass structure

We consider the possibility that the neutral-current B anomalies are due to radiative corrections generated by Yukawa interactions of quarks and leptons with new vector-like quark and lepton electroweak doublets and new Standard Model singlet scalars. We show that the restricted interactions needed can result from an underlying Abelian family symmetry and that the same symmetry can give rise to an acceptable pattern of quark and charged lepton masses and mixings, providing a bridge between the non-universality observed in the B-sector and that of the fermion mass matrices. We construct two simple models, one with a single singlet scalar in which the flavour changing comes from quark and lepton mixing and one with an additional scalar in which the flavour changing can come from both fermion and scalar mixing. We show that for the case the new quarks are much heavier than the new leptons and scalars the B anomalies can be due to box diagrams with couplings in the perturbative regime consistent with the bounds coming from $B_8-\overline{B}_8, K-\overline{K}$ and $D-\overline{D}$ mixing as well as other lepton family number violating processes. The new states can be dark matter candidates and, in the two scalar model with a light scalar of O(60) GeV and vector-like lepton of O(100) GeV, there can be a simultaneous explanation of the B-anomalies, the muon anomalous magnetic moment and the dark matter abundance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Characterizing material transitions in large-scale Additive Manufacturing

Integrating Multiple Materials (MM) into large-scale Additive Manufacturing (AM) is a key for various industrial applications wishing to incorporate site-specific properties into geometrically complex designs that are difficult to manufacture with traditional techniques. Printing with multiple materials is typically accomplished by using layers as natural material boundaries, but having the capability to switch between materials within a single layer without pausing would further expand MM possibilities. This study used Cincinnati Incorporated’s Big Area Additive Manufacturing (BAAM) system to explore material transitions with a novel dual-hopper that enables in-situ material blending of a pelletized feedstock. Constructing MM and functionally graded material (FGM) structures requires depositing a specific material composition at a specific geometric location to achieve a desired performance. Furthermore, accurately implementing this with the BAAM’s blended extrusion system requires a thorough understanding of the transition between distinct material compositions. This study characterizes a step-change transition between neat acrylonitrile butadiene styrene (ABS) and carbon fiber-reinforced ABS. Three distinct techniques were compared for analyzing the fiber content, and the transition zone between materials was characterized as a function of transition direction. The transition process was consistent to within 0.7 wt% carbon fiber variation between different layers and prints. The transition between materials was found to be directionally dependent, with ABS to CF/ABS having a transition length of 3.5 m compared to 3.2 m for CF/ABS to ABS. Furthermore, the transition from Material A to Material B was found to be repeatable with a possible variance in transition length of 0.3 m.

36 MATERIALS SCIENCE↗