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At least 631 records · Page 35

Subsurface failure in spherical bodies. A formation scenario for linear troughs on Vesta’s surface

Many asteroids in the Solar System exhibit unusual, linear features on their surface. The Dawn mission recently observed two sets of linear features on the surface of the asteroid 4 Vesta. Geologic observations indicate that these features are related to the two large impact basins at the south pole of Vesta, though no specific mechanism of origin has been determined. Furthermore, the orientation of the features is offset from the center of the basins. Experimental and numerical results reveal that the offset angle is a natural consequence of oblique impacts into a spherical target. We demonstrate that a set of shear planes develops in the subsurface of the body opposite to the point of first contact. Moreover, these subsurface failure zones then propagate to the surface under combined tensile-shear stress fields after the impact to create sets of approximately linear faults on the surface. Comparison between the orientation of damage structures in the laboratory and failure regions within Vesta can be used to constrain impact parameters (e.g., the approximate impact point and likely impact trajectory).

79 ASTRONOMY AND ASTROPHYSICS↗

A two-stage method for microcalcification cluster segmentation in mammography by deformable models

Purpose: Segmentation of microcalcification (MC) clusters in x-ray mammography is a difficult task for radiologists. Accurate segmentation is prerequisite for quantitative image analysis of MC clusters and subsequent feature extraction and classification in computer-aided diagnosis schemes. Methods: In this study, a two-stage semiautomated segmentation method of MC clusters is investigated. The first stage is targeted to accurate and time efficient segmentation of the majority of the particles of a MC cluster, by means of a level set method. The second stage is targeted to shape refinement of selected individual MCs, by means of an active contour model. Both methods are applied in the framework of a rich scale-space representation, provided by the wavelet transform at integer scales. Segmentation reliability of the proposed method in terms of inter and intraobserver agreements was evaluated in a case sample of 80 MC clusters originating from the digital database for screening mammography, corresponding to 4 morphology types (punctate: 22, fine linear branching: 16, pleomorphic: 18, and amorphous: 24) of MC clusters, assessing radiologists’ segmentations quantitatively by two distance metrics (Hausdorff distance—HDIST{sub cluster}, average of minimum distance—AMINDIST{sub cluster}) and the area overlap measure (AOM{sub cluster}). The effect of the proposed segmentation method on MC cluster characterization accuracy was evaluated in a case sample of 162 pleomorphic MC clusters (72 malignant and 90 benign). Ten MC cluster features, targeted to capture morphologic properties of individual MCs in a cluster (area, major length, perimeter, compactness, and spread), were extracted and a correlation-based feature selection method yielded a feature subset to feed in a support vector machine classifier. Classification performance of the MC cluster features was estimated by means of the area under receiver operating characteristic curve (Az ± Standard Error) utilizing tenfold cross-validation methodology. A previously developed B-spline active rays segmentation method was also considered for comparison purposes. Results: Interobserver and intraobserver segmentation agreements (median and [25%, 75%] quartile range) were substantial with respect to the distance metrics HDIST{sub cluster} (2.3 [1.8, 2.9] and 2.5 [2.1, 3.2] pixels) and AMINDIST{sub cluster} (0.8 [0.6, 1.0] and 1.0 [0.8, 1.2] pixels), while moderate with respect to AOM{sub cluster} (0.64 [0.55, 0.71] and 0.59 [0.52, 0.66]). The proposed segmentation method outperformed (0.80 ± 0.04) statistically significantly (Mann-Whitney U-test, p < 0.05) the B-spline active rays segmentation method (0.69 ± 0.04), suggesting the significance of the proposed semiautomated method. Conclusions: Results indicate a reliable semiautomated segmentation method for MC clusters offered by deformable models, which could be utilized in MC cluster quantitative image analysis.

60 APPLIED LIFE SCIENCES↗

Reaching 1.5 and 2.0 °C global surface temperature targets using stratospheric aerosol geoengineering

A new set of stratospheric aerosol geoengineering (SAG) model experiments has been performed with Community Earth System Model version 2 (CESM2) with the Whole Atmosphere Community Climate Model (WACCM6) that are based on the Coupled Model Intercomparison Project phase 6 (CMIP6) overshoot scenario (SSP5-34-OS) as a baseline scenario to limit global warming to 1.5 or 2.0 °C above 1850–1900 conditions. The overshoot scenario allows us to applying a peak-shaving scenario that reduces the needed duration and amount of SAG application compared to a high forcing scenario. In addition, a feedback algorithm identifies the needed amount of sulfur dioxide injections in the stratosphere at four pre-defined latitudes, 30 °N, 15 °N, 15 °S, and 30 °S, to reach three surface temperature targets: global mean temperature, and interhemispheric and pole-to-Equator temperature gradients. These targets further help to reduce side effects, including overcooling in the tropics, warming of high latitudes, and large shifts in precipitation patterns. These experiments are therefore relevant for investigating the impacts on society and ecosystems. Comparisons to SAG simulations based on a high emission pathway baseline scenario (SSP5-85) are also performed to investigate the dependency of impacts using different injection amounts to offset surface warming by SAG. We find that changes from present-day conditions around 2020 in some variables depend strongly on the defined temperature target (1.5 °C vs. 2.0 °C). These include surface air temperature and related impacts, the Atlantic Meridional Overturning Circulation, which impacts ocean net primary productivity, and changes in ice sheet surface mass balance, which impacts sea level rise. Others, including global precipitation changes and the recovery of the Antarctic ozone hole, depend strongly on the amount of SAG application. Furthermore, land net primary productivity as well as ocean acidification depend mostly on the global atmospheric CO 2 concentration and therefore the baseline scenario. Multi-model comparisons of experiments that include strong mitigation and carbon dioxide removal with some SAG application are proposed to assess the robustness of impacts on societies and ecosystems.

42 ENGINEERING↗

TU-H-CAMPUS-TeP1-01: Variable-Beam Fractionation for SAbR

Purpose: In current conventionally-fractionated as well as hypofractionated 3D conformal radiotherapy (CRT), the same beam arrangement is employed from fraction to fraction. We challenge this notion and postulate that by varying the beam arrangement between fractions we can achieve greater sparing of organs at risk (OARs) while maintaining PTV coverage. We use an inverse planning strategy using a swarm intelligence-based global optimization algorithm to exploit the additional degree of freedom represented by inter-fractional variation in beam angles. Methods: To evaluate our variable-beam fractionation (VBF) method, a 10-beam ITV-based conformal stereotactic ablative radiotherapy (CRT-SAbR) plan was optimized. In the clinical plan, 54 Gy was delivered to a 41cc lung tumor over 3 fractions. In VBF, each original clinically-assigned beam was multiplied to a bundle of n α-degree-spaced beams, n being number of fractions. Selection of α was a compromise between retaining similar tumor irradiation and separating inline OAR sub-regions. We optimized the beam fluence weights setting an upper limit for beam delivery duration (and implicitly, monitor units) along with clinical organ-based dose-volume constraints. Zero weights were allowed so that the optimization algorithm could remove unnecessary beams. All fractions in final plan had to deliver identical monitor units (MU) while satisfying a soft constraint on having no more than one beam from every n-beam bundle in each fraction. α was 10 degrees and the dose rate was 600 MU/min. Results: The VBF plan achieved significantly superior OAR sparing compared to the clinical internal target volume (ITV)-based plan. Setting maximum beam delivery duration to 13 seconds (well within breath-hold range), Esophagus Dmax, Heart Dmax, Spinal cord Dmax and Lung V13 were improved by 25%, 81%, 0% and 27%, respectively. Conclusion: We investigated a simple approach to inter-fractional VBF planning and demonstrated its potential in reducing dose to OARs. This work was partially supported through research funding from National Institutes of Health (R01CA169102) and Varian Medical Systems, Palo Alto, CA, USA.

60 APPLIED LIFE SCIENCES↗

Improving Peptide-Level Mass Spectrometry Analysis via Double Competition

A critical statistical task in the analysis of shotgun proteomics data involves controlling the false discovery rate (FDR) among the reported set of discoveries. This task is most commonly solved at the peptide-spectrum match (PSM) level by using target-decoy competition (TDC), in which a set of observed spectra are searched against a database containing a mixture of real (target) and decoy peptides. The PSM-level procedure can be adapted to the peptide level by selecting the top-scoring PSM per peptide prior to FDR estimation. Here, we investigate both PSM-level and peptide-level FDR control methods and come to two conclusions. First, although the TDC procedure is provably correct under certain assumptions, we observe that one of these assumptions - that incorrect PSMs are independent of one another - is frequently violated. Hence, we empirically demonstrate that TDC-based PSM-level FDR estimates can be liberally biased. Further, we propose that researchers avoid PSM-level results and instead focus on peptide-level analysis. Second, we investigate three ways to carry out peptide level TDC and show that the most common method ("PSM-only") offers the lowest statistical power in practice. The most powerful method, peptide-level FDR with PSM competition ("PSM-and-peptide"), carries out competition first at the PSM level and then again at the peptide level. In our experiments, this approach yields an average increase of 17% more discovered peptides at a1% FDR threshold relative to the PSM-only method.

59 BASIC BIOLOGICAL SCIENCES↗

GCR Simulator Reference Field and a Spectral Approach for Laboratory Simulation

The galactic cosmic ray (GCR) simulator at the NASA Space Radiation Laboratory (NSRL) is intended to deliver the broad spectrum of particles and energies encountered in deep space to biological targets in a controlled laboratory setting. In this work, certain aspects of simulating the GCR environment in the laboratory are discussed. Reference field specification and beam selection strategies at NSRL are the main focus, but the analysis presented herein may be modified for other facilities. First, comparisons are made between direct simulation of the external, free space GCR field and simulation of the induced tissue field behind shielding. It is found that upper energy constraints at NSRL limit the ability to simulate the external, free space field directly (i.e. shielding placed in the beam line in front of a biological target and exposed to a free space spectrum). Second, variation in the induced tissue field associated with shielding configuration and solar activity is addressed. It is found that the observed variation is likely within the uncertainty associated with representing any GCR reference field with discrete ion beams in the laboratory, given current facility constraints. A single reference field for deep space missions is subsequently identified. Third, an approach for selecting beams at NSRL to simulate the designated reference field is presented. Drawbacks of the proposed methodology are discussed and weighed against alternative simulation strategies. The neutron component and track structure characteristics of the simulated field are discussed in this context.

Slaba, Tony C.↗

Situational awareness-enhancing community-level load mapping with opportunistic machine learning

Motivated by present and forthcoming challenges in the adoption and integration of distributed renewable energy, we develop a machine learning (ML) approach that builds short-fuse mappings connecting the occasionally-unobservable true load in one target community with information-rich signals collected from relatively more instrumented reference communities. Our setting is inspired by and tailored to target communities with significant unobservable behind-the-meter solar generation, where true load (a relatively well-behaved quantity of interest to grid operators) is hard to discern during daytime due to insufficient instrumentation and/or privacy reasons, but that can be related to reference communities with low unobservable distributed variable generation or with sufficient instrumentation. The developed mapping, herein realized with Support Vector Machine regression, is built using nighttime data from all communities, when their distributed generation is low or zero. Our ML algorithm opportunistically learns to correlate signals of interest and then is operationally used the next day to shed light into target community load evolution. The mapping is subsequently rebuilt, rolling its short-fuse scope perpetually forward in time. Here, we demonstrate the efficacy of our approach on nine synthetically generated topologies and associated timeseries stemming from real-world data, on which we observe cumulative error performance that yields lower than 10% and 15% daily-averaged mean absolute percentage errors in target community load estimation on more than about 75% and 90% of days, respectively, in multiple yearly evaluations that shed light on long-term performance also under seasonal and one-off effects. The proposed ML-powered methodology can offer grid operators much-improved visibility into a previously obscure space and can also serve as an additional source of information in broader, multi-modal solar disaggregation solutions.

14 SOLAR ENERGY↗

PredGuid+A: Orion Entry Guidance Modified for Aerocapture

PredGuid+A software was developed to enable a unique numerical predictor-corrector aerocapture guidance capability that builds on heritage Orion entry guidance algorithms. The software can be used for both planetary entry and aerocapture applications. Furthermore, PredGuid+A implements a new Delta-V minimization guidance option that can take the place of traditional targeting guidance and can result in substantial propellant savings. PredGuid+A allows the user to set a mode flag and input a target orbit's apoapsis and periapsis. Using bank angle control, the guidance will then guide the vehicle to the appropriate post-aerocapture orbit using one of two algorithms: Apoapsis Targeting or Delta-V Minimization (as chosen by the user). Recently, the PredGuid guidance algorithm was adapted for use in skip-entry scenarios for NASA's Orion multi-purpose crew vehicle (MPCV). To leverage flight heritage, most of Orion's entry guidance routines are adapted from the Apollo program.

Lafleur, Jarret↗

Comparison of Equilibrium and Nonequilibrium Approaches for Relative Binding Free Energy Predictions

Alchemical relative binding free energy calculations have recently found important applications in drug optimization. A series of congeneric compounds are generated from a preidentified lead compound, and their relative binding affinities to a protein are assessed in order to optimize candidate drugs. While methods based on equilibrium thermodynamics have been extensively studied, an approach based on nonequilibrium methods has recently been reported together with claims of its superiority. However, these claims pay insufficient attention to the basis and reliability of both methods. Here we report a comparative study of the two approaches across a large data set, comprising more than 500 ligand transformations spanning in excess of 300 ligands binding to a set of 14 diverse protein targets. Ensemble methods are essential to quantify the uncertainty in these calculations, not only for the reasons already established in the equilibrium approach but also to ensure that the nonequilibrium calculations reside within their domain of validity. If and only if ensemble methods are applied, we find that the nonequilibrium method can achieve accuracy and precision comparable to those of the equilibrium approach. Compared to the equilibrium method, the nonequilibrium approach can reduce computational costs but introduces higher computational complexity and longer wall clock times. There are, however, cases where the standard length of a nonequilibrium transition is not sufficient, necessitating a complete rerun of the entire set of transitions. This significantly increases the computational cost and proves to be highly inconvenient during large-scale applications. Our findings provide a key set of recommendations that should be adopted for the reliable implementation of nonequilibrium approaches to relative binding free energy calculations in ligand-protein systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experimental targets for dark photon dark matter

Ultralight dark photon dark matter features distinctive cosmological and astrophysical signatures and is also supported by a burgeoning direct-detection program searching for its kinetic mixing with the ordinary photon over a wide mass range. Dark photons, however, cannot necessarily constitute the dark matter in all of this parameter space. In minimal models where the dark photon mass arises from a dark Higgs mechanism, early-Universe dynamics can easily breach the regime of validity of the low-energy effective theory for a massive vector field. In the process, the dark sector can collapse into a cosmic string network, precluding dark photons as viable dark matter. We establish the general conditions under which dark photon production avoids significant backreaction on the dark Higgs and identify regions of parameter space that naturally circumvent these constraints. After surveying implications for known dark photon production mechanisms, we propose novel models that set well-motivated experimental targets across much of the accessible parameter space. We also discuss complementary cosmological and astrophysical signatures that can probe the dark sector physics responsible for dark photon production.

Dark matter↗

jialiu232/MetaFunPrimer_paper_info

Genes belonging to the same functional group may include numerous and variable gene sequences, making characterizing and quantifying difficult. Therefore, high-throughput design tools are needed to simultaneously create primers for improved quantification of target genes. We developed MetaFunPrimer, a bioinformatic pipeline, to design primers for numerous genes of interest. This tool also enables gene target prioritization based on ranking the presence of genes in user-defined references, such as environment-specific metagenomes. Given inputs of protein and nucleotide sequences for gene targets of interest and an accompanying set of reference metagenomes or genomes, MetaFunPrimer generates primers for ranked genes of interest. To demonstrate the usage and benefits of MetaFunPrimer, a total of 78 primer pairs were designed to target observed ammonia monooxygenase subunit A (amoA) genes of ammonia-oxidizing bacteria (AOB) in 1,550 publicly available soil metagenomes. We demonstrate computationally that these amoA-AOB primers can cover 94% of the amoA-AOB genes observed in the 1,550 soil metagenomes compared with a 49% estimated coverage by previously published primers. Finally, we verified the utility of these primer sets in incubation experiments that used long-term nitrogen fertilized or unfertilized soils. High-throughput quantitative PCR (qPCR) results and statistical analyses showed significant differences in relative quantification patterns between the two soils, and subsequent absolute quantifications also confirmed that target genes enumerated by six selected primer pairs were significantly more abundant in the nitrogen-fertilized soils. This new tool gives microbial ecologists a new approach to assess functional gene abundance and related microbial community dynamics quickly and affordably.

Liu, Jia↗

BODY SENSING SYSTEM

System and method for performing one or more relevant measurements at a target site in an animal body, using a probe. One or more of a group of selected internal measurements is performed at the target site, is optionally combined with one or more selected external measurements, and is optionally combined with one or more selected heuristic information items, in order to reduce to a relatively small number the probable medical conditions associated with the target site. One or more of the internal measurements is optionally used to navigate the probe to the target site. Neural net information processing is performed to provide a reduced set of probable medical conditions associated with the target site.

Mah, Robert W.↗

Large Scale Study of Ligand–Protein Relative Binding Free Energy Calculations: Actionable Predictions from Statistically Robust Protocols

The accurate and reliable prediction of protein–ligand binding affinities can play a central role in the drug discovery process as well as in personalized medicine. Of considerable importance during lead optimization are the alchemical free energy methods that furnish an estimation of relative binding free energies (RBFE) of similar molecules. Recent advances in these methods have increased their speed, accuracy, and precision. This is evident from the increasing number of retrospective as well as prospective studies employing them. However, such methods still have limited applicability in real-world scenarios due to a number of important yet unresolved issues. Here, we report the findings from a large data set comprising over 500 ligand transformations spanning over 300 ligands binding to a diverse set of 14 different protein targets which furnish statistically robust results on the accuracy, precision, and reproducibility of RBFE calculations. We use ensemble-based methods which are the only way to provide reliable uncertainty quantification given that the underlying molecular dynamics is chaotic. These are implemented using TIES (Thermodynamic Integration with Enhanced Sampling). Results achieve chemical accuracy in all cases. Ensemble simulations also furnish information on the statistical distributions of the free energy calculations which exhibit non-normal behavior. We find that the “enhanced sampling” method known as replica exchange with solute tempering degrades RBFE predictions. We also report definitively on numerous associated alchemical factors including the choice of ligand charge method, flexibility in ligand structure, and the size of the alchemical region including the number of atoms involved in transforming one ligand into another. Our findings provide a key set of recommendations that should be adopted for the reliable application of RBFE methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Formal methods for test case generation

The invention relates to the use of model checkers to generate efficient test sets for hardware and software systems. The method provides for extending existing tests to reach new coverage targets; searching *to* some or all of the uncovered targets in parallel; searching in parallel *from* some or all of the states reached in previous tests; and slicing the model relative to the current set of coverage targets. The invention provides efficient test case generation and test set formation. Deep regions of the state space can be reached within allotted time and memory. The approach has been applied to use of the model checkers of SRI's SAL system and to model-based designs developed in Stateflow. Stateflow models achieving complete state and transition coverage in a single test case are reported.

Rushby, John↗

Method and infrastructure for cycle-reproducible simulation on large scale digital circuits on a coordinated set of field-programmable gate arrays (FPGAs)

A plurality of target field programmable gate arrays are interconnected in accordance with a connection topology and map portions of a target system. A control module is coupled to the plurality of target field programmable gate arrays. A balanced clock distribution network is configured to distribute a reference clock signal, and a balanced reset distribution network is coupled to the control module and configured to distribute a reset signal to the plurality of target field programmable gate arrays. The control module and the balanced reset distribution network are cooperatively configured to initiate and control a simulation of the target system with the plurality of target field programmable gate arrays. A plurality of local clock control state machines reside in the target field programmable gate arrays. The local clock state machines are configured to generate a set of synchronized free-running and stoppable clocks to maintain cycle-accurate and cycle-reproducible execution of the simulation of the target system. A method is also provided.

97 MATHEMATICS AND COMPUTING↗

Nozomi Cis-Lunar Phase Orbit Determination

Japan's Institute of Space and Astronautical Science (ISAS) launched Nozomi, its first mission to the planet Mars using the newly developed M-V launch vehicle on July 3, 1998. Scientific objectives of the mission are to study the structure and dynamics of the Martian upper atmosphere and its interaction with the solar wind. Nozomi is a cooperative mission between ISAS and the National Aeronautics and Space Administration (NASA). The NASA contribution includes navigation and tracking services provided by the Jet Propulsion Laboratory (JPL). The spacecraft also serves as an engineering demonstration of basic technology for planetary exploration. One of the new technologies was a unique trajectory, developed by ISAS, which used solar gravitational perturbations at the weak stability boundary as an aid to achieve an Earth-Mars transfer orbit. This trajectory saves approximately 120 m/s of Delta V compared to direct hyperbolic insertion and is considered an enabling technology for the mission. Nozomi was the first spacecraft to employ this trajectory and provided on-orbit validation of the technique. The trajectory was achieved by initially placing the spacecraft in a highly elliptical cis-lunar phasing orbit. Six maneuvers were performed during this period to correct injection errors and target an outbound lunar swingby in September 1998. The gravity assist from the lunar swingby raised apogee to the vicinity of the weak stability boundary. After three more targeting maneuvers, Nozomi performed an inbound lunar swingby followed immediately by a powered Earth swingby in late December 1998. A 420 m/s Trans Mars Insertion (TMI) burn at the final Earth periapsis was intended to place the spacecraft on a heliocentric trajectory leading to Mars orbit insertion in October 1999. Orbit determination for Nozomi is performed in parallel by both ISAS and the Multi-Mission Navigation (MMNAV) group at JPL. This was an advantage for the mission because each group would generate solutions based on data collected from their respective tracking networks. Spacecraft events, such as sequence uplinks and maneuvers, were generally scheduled during passes at the Usuda tracking station in Japan. As a result, maneuver design and reconstruction was derived from MMNAV solutions based on JPL tracking data obtained immediately prior to or following maneuvers. Data was also exchanged between ISAS and MMNAV so orbit determination could be performed on joint data sets in support of critical targeting late in the cis-lunar phase. In this paper, information regarding the MMNAV orbit determination effort for the first six months of the mission is presented. The spacecraft trajectory is characterized first, followed by a discussion of the orbit determination estimation procedure and models. Results from selected orbit solutions are presented and compared against reconstructed trajectories. One area of emphasis in this paper is orbit determination in the vicinity of the weak stability boundary. Precise navigation was necessary to target the second lunar swingby and the powered Earth swingby. Delivery accuracy of 150 m was required for these critical encounters, but a number of factors contributed to the general degradation of orbit determination accuracy. This included the fact that the spacecraft was at apogee, at a range of 1.7 million km and moving at less than I km/sec perpendicular to the line of sight. Nozomi was also close to zero degrees declination where there are known limitations on orbit determination performance. Finally, S-band tracking data was acquired through the Nozomi backup low gain antenna. This antenna is offset from the axis of this spin stabilized spacecraft and superimposed large signatures in the Doppler and range data. These difficulties were overcome by combining long data arcs, spanning several maneuvers, with a high fidelity solar pressure model. The model included a physically accurate representation of the spacecraft structure and a high time resolution orientation model. Observation modeling included the removal of the spin induced Doppler bias, spin signature and per pass correction of range calibration errors applied for data leading up to critical events. As a result, all orbit determination goals were met. A second area of emphasis in this paper is the JPL tracking and orbit determination effort in support of the TMI maneuver. TMI occurred out of contact with ground stations and the JPL Goldstone tracking complex had the first pass following the bum. As a result, MMNAV had the responsibility to make a rapid assessment of the maneuver performance. MMNAV made the determination that a 100 m/s under bum had occurred and promptly informed ISAS via voice lines. ISAS immediately began preparations for a correction maneuver (TMIc), which had to be performed during the next Usuda pass. The near real time assessment by MMNAV provided accurate antenna frequency and pointing updates for the spacecraft acquisition at Usuda and the close coordination between the two agencies enabled the design and successful execution of the TMc maneuver. Propellant consumption during the correction burn dictated that the mission be redesigned. ISAS developed a new plan which adds 3 full solar orbits, two Earth swingbys and one lunar swingby with arrival at Mars in January 2004. The final Mars orbit will still enable the mission to achieve all of its science objectives.

Ryne, Mark↗

Precursor recommendation for inorganic synthesis by machine learning materials similarity from scientific literature

Synthesis prediction is a key accelerator for the rapid design of advanced materials. However, determining synthesis variables such as the choice of precursor materials is challenging for inorganic materials because the sequence of reactions during heating is not well understood. In this work, we use a knowledge base of 29,900 solid-state synthesis recipes, text-mined from the scientific literature, to automatically learn which precursors to recommend for the synthesis of a novel target material. The data-driven approach learns chemical similarity of materials and refers the synthesis of a new target to precedent synthesis procedures of similar materials, mimicking human synthesis design. When proposing five precursor sets for each of 2654 unseen test target materials, the recommendation strategy achieves a success rate of at least 82%. Our approach captures decades of heuristic synthesis data in a mathematical form, making it accessible for use in recommendation engines and autonomous laboratories.

36 MATERIALS SCIENCE↗

The Mu2e experiment

The Mu2e experiment, currently under construction at Fermilab, will search for neutrinoless mu->e conversion in the field of an aluminum atom. A clear signature of this chargedlepton flavor violating two-body process is given by the monoenergetic conversion electron of 104.97 MeV produced in the final state.An 8 GeV/c pulsed proton beam interacting on a tungsten target will produce the pions decaying in muons; a set of superconducting magnets will drive the negative muon beam to a segmented aluminum target where the stopped muons will eventually convert to electrons; a set of detectors will be used to both identify conversion electrons and reject beam and cosmic backgrounds.The experiment will need 3-5 years of data-taking to achieve a factor of $10^4$ improvement on the current best limit on the conversion rate.After an introduction to the physics of Mu2e, we will report on the status of the different components of the experimental apparatus. The updated estimate of the experiment’s sensitivity and discovery potential will be presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗