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At least 1,189 records · Page 66

Generalizing the Gurson model using symbolic regression and transfer learning to relax inherent assumptions

Abstract To generate material models with fewer limiting assumptions while maintaining closed-form, interpretable solutions, we propose using genetic programming based symbolic regression (GPSR), a machine learning (ML) approach that describes data using free-form symbolic expressions. To maximize interpretability, we start from an analytical, derived material model, the Gurson model for porous ductile metals, and systematically relax inherent assumptions made in its derivation to understand each assumption’s contribution to the GPSR model forms. We incorporate transfer learning methods into the GPSR training process to increase GPSR efficiency and generate models that abide by known mechanics of the system. The results show that regularizing the GPSR fitness function is critical for generating physically valid models and illustrate how GPSR allows a high level of interpretability compared with other ML approaches. The method of systematic assumption relaxation allows the generation of models that address limiting assumptions found in the Gurson model, and the symbolic forms allow conjecture of decreased material strength due to void interaction and non-symmetric void shapes.

36 MATERIALS SCIENCE↗

MCP-eGridGPT (MCP-Enabled Chatbot with Electrical Power System Analysis and Interactive Visualization Tool) [SWR-25-126]

This software is an advanced chatbot system that integrates the Model Context Protocol (MCP) to provide intelligent electrical power system analysis and automated visualization generation. The system enables users to interact with complex electrical engineering tools through natural language, automatically analyzes power system data for voltage violations and grid health assessment, and generates professional interactive HTML dashboards and reports. Key features include dynamic tool discovery from MCP servers, multi-LLM provider support, intelligent data interpretation using large language models, automated chart generation, and a web-based interface for real-time analysis. The software bridges sophisticated electrical engineering analysis with user-friendly interfaces, making power system diagnostics accessible through conversational AI.

Choi, Seong [National Laboratory of the Rockies (N↗

Local gravity theories in conformal superspace

The conformal method for the initial value formulation of GR is one of the most powerful and widely usedtools in both analytical studies and numerical simulations of solutions. As is well-known, it exploits a hidden spatial conformal symmetry that can be extracted from the equations. But why conformal symmetry? Motivated by these questions and by well-known obstacles to quantum gravity, I look for the most general geometrodynamical symmetries compatible with a reduced physical configuration space for metric gravity. I argue that they are indeed spatial conformal diffeomorphisms. The next question is: what sort of theories most naturally incorporate this symmetry? Demanding locality for an action for metric gravity compatible with these principles determines the allowed operators, both for the purely gravitational part as well as matter couplings. The symmetries guarantee that there are two gravitational propagating physical degrees of freedom, but no explicit refoliation-invariance. The simplest such system has a geometric interpretation as a geodesic model in infinite-dimensional conformal superspace. One example of solution to the equations of motion corresponds to a static Bianchi IX spatial ansatz. The unique coupling to electromagnetism forces the electromagnetic equations to be hyperbolic, enabling us to “build” a standard space–time causal structure. There are, however, deviations from the standard Maxwell equations when space–time anisotropies become too large. Regarding quantization, with the geometric interpretation and the lack of refoliation invariance, the path integral treatment of the symmetries becomes much less involved than the similar approaches to GR. The symmetries form an (infinite-dimensional) Lie algebra, and no BFV treatment is necessary. Moreover, one can use gauge-invariant variational principles for selecting the boundary conditions of the path integral. We find that the propagator around the homogeneous solution has up to 6th order spatial derivatives, giving it plausible regularization properties as in Horava–Lifschitz.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Convective flow effects on protein crystal growth

A high-resolution microscopic interferometric setup for the monitoring of protein morphologies has been developed. Growth or dissolution of a crystal can be resolved with a long-term depth resolution of 200 A and a lateral resolution of 2 microns. This capability of simultaneously monitoring the interfacial displacement with high local depth resolution has yielded several novel results. We have found with lysozyme that (1) the normal growth rate is oscillatory, and (2) depending on the impurity content of the solution, the growth step density is either greater or lower at the periphery of a facet than in its center. The repartitioning of Na plus and Cl minus ions between lysozyme solutions and crystals was studied for a wide range of crystallization conditions. A nucleation-growth-repartitioning model was developed, to interpret the large body of data in unified way. The results strongly suggest that (1) the ion to lysozyne ratio in the crystal depends mostly on kinetic rather than crystallographic parameters, and (2) lysozyme crystals possess a salt-rich core with a diameter electron microscopy results appear to confirm this finding, which could have far-reaching consequences for x-ray diffraction studies. A computational model for diffusive-convective transport in protein crystallization has been applied to a realistic growth cell geometry, taking into account the findings of the above repartitioning studies and our kinetics data for the growth of lysozyme. The results show that even in the small cell employed, protein concentration nonuniformities and gravity-driven solutal convection can be significant. The calculated convection velocities are of the same order to magnitude as those found in earlier experiments. As expected, convective transport, i.e., at Og, lysozyme crystal growth remains kinetically limited. The salt distribution in the crystal is predicted to be non-uniform at both 1g and 0g, as a consequence of protein depletion in the solution. Static and dynamic light scattering studies in undersaturated and supersaturated solutions have been performed. Diffusivities in undersaturated solutions, were found to vary with lysozyme concentrations. Depending on the salt concentration, the diffusivities either increase or decrease. Interestingly, the corresponding static scattering intensities behave oppositely, Our current analysis indicates that these changes are inconsistent with aggregation in undersaturated solutions. However, the data are compatible with concentration-dependent changes of the interactions between protein and salt.

Rosenberger, Franz↗

IPRT Polarized Radiative Transfer Model Intercomparison Project-Phase A

The polarization state of electromagnetic radiation scattered by atmospheric particles such as aerosols, cloud droplets, or ice crystals contains much more information about the optical and microphysical properties than the total intensity alone. For this reason an increasing number of polarimetric observations are performed from space, from the ground and from aircraft. Polarized radiative transfer models are required to interpret and analyse these measurements and to develop retrieval algorithms exploiting polarimetric observations. In the last years a large number of new codes have been developed, mostly for specific applications. Benchmark results are available for specific cases, but not for more sophisticated scenarios including polarized surface reflection and multi-layer atmospheres. The International Polarized Radiative Transfer (IPRT) working group of the International Radiation Commission (IRC) has initiated a model intercomparison project in order to fill this gap. This paper presents the results of the first phase A of the IPRT project which includes ten test cases, from simple setups with only one layer and Rayleigh scattering to rather sophisticated setups with a cloud embedded in a standard atmosphere above an ocean surface. All scenarios in the first phase A of the intercomparison project are for a one-dimensional plane-parallel model geometry. The commonly established benchmark results are available at the IPRT website

radiative transfer↗

Global Carbon Budget 2016

Accurate assessment of anthropogenic carbon dioxide (CO2) emissions and their redistribution among the atmosphere, ocean, and terrestrial biosphere the global carbon budget is important to better understand the global carbon cycle, support the development of climate policies, and project future climate change. Here we describe data sets and methodology to quantify all major components of the global carbon budget, including their uncertainties, based on the combination of a range of data, algorithms, statistics, and model estimates and their interpretation by a broad scientific community. We discuss changes compared to previous estimates and consistency within and among components, alongside methodology and data limitations. CO2 emissions from fossil fuels and industry (EFF) are based on energy statistics and cement production data, respectively, while emissions from land-use change (ELUC), mainly deforestation, are based on combined evidence from land-cover change data, fire activity associated with deforestation, and models. The global atmospheric CO2 concentration is measured directly and its rate of growth (GATM) is computed from the annual changes in concentration. The mean ocean CO2 sink (SOCEAN) is based on observations from the 1990s, while the annual anomalies and trends are estimated with ocean models. The variability in SOCEAN is evaluated with data products based on surveys of ocean CO2 measurements. The global residual terrestrial CO2 sink (SLAND) is estimated by the difference of the other terms of the global carbon budget and compared to results of independent dynamic global vegetation models. We compare the mean land and ocean fluxes and their variability to estimates from three atmospheric inverse methods for three broad latitude bands. All uncertainties are reported as +/- 1(sigma), reflecting the current capacity to characterize the annual estimates of each component of the global carbon budget. For the last decade available (2006-2015), EFF was 9.3+/-0.5 GtC/yr, ELUC 1.0+/-0.5 GtC/yr,GATM 4.5+/-0.1 GtC/yr, SOCEAN 2.6+/-0.5 GtC/yr, and SLAND 3.1+/-0.9 GtC/yr. For year 2015 alone, the growth in EFF was approximately zero and emissions remained at 9.9+/-0.5 GtC/yr, showing a slowdown in growth of these emissions compared to the average growth of 1.8/yr that took place during 2006-2015.Also, for 2015, ELUC was 1.3+/-0.5 GtC/yr, GATM was 6.3+/-0.2 GtC/yr, SOCEAN was 3.0+/-0.5 GtC/yr, and SLAND was 1.9+/-0.9 GtC/yr. GATM was higher in 2015 compared to the past decade (2006-2015), reflecting a smaller SLAND for that year. The global atmospheric CO2 concentration reached 399.4+/-0.1 ppm averaged over 2015. For 2016, preliminary data indicate the continuation of low growth in EFF with +0.2% (range of -1.0 to +1.8% ) based on national emissions projections for China and USA, and projections of gross domestic product corrected for recent changes in the carbon intensity of the economy for the rest of the world. In spite of the low growth of EFF in 2016, the growth rate in atmospheric CO2 concentration is expected to be relatively high because of the persistence of the smaller residual terrestrial sink (SLAND) in response to El Nino conditions of 2015-2016. From this projection of EFF and assumed constant ELUC for 2016, cumulative emissions of CO2 will reach 565+/-55 GtC (2075+/-205 GtCO2) for 1870-2016, about 75% from EFF and 25% from ELUC. This living data update documents changes in the methods and data sets used in this new carbon budget compared with previous publications of this data set.

Quéré, Corinne Le↗

Electron–Nuclear Dynamics Accompanying Proton-Coupled Electron Transfer

Although photoinduced proton-coupled electron transfer (PCET) plays an essential role in photosynthesis, a full understanding of the mechanism is still lacking due to the complex nonequilibrium dynamics arising from the strongly coupled electronic and nuclear degrees of freedom. Here we report the photoinduced PCET dynamics of a biomimetic model system investigated by means of transient IR and two-dimensional electronic–vibrational (2DEV) spectroscopies, IR spectroelectrochemistry (IRSEC), and calculations utilizing long-range-corrected hybrid density functionals. This collective experimental and theoretical effort provides a nuanced picture of the complicated dynamics and synergistic motions involved in photoinduced PCET. In particular, the evolution of the 2DEV line shape, which is highly sensitive to the mixing of vibronic states, is interpreted by accurate computational modeling of the charge separated state and is shown to represent a gradual change in electron density distribution associated with a dihedral twist that occurs on a 120 fs time scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Data-Driven Kinetic Reaction Networks for Separation Chemistry

Understanding complex, multistep chemical reactions at the molecular level is a major challenge whose solution would greatly benefit the design and optimization of numerous chemical processes. The separation of rare-earth (4f) and actinide (5f) elements is an example where improving our chemical understanding is important for designing and optimizing new chemistries, even with a limited number of observations. Here, in this work, we leverage data-driven artificial intelligence and machine-learning approaches to develop kinetic reaction networks that describe the liquid–liquid extraction mechanism of uranium using N,N-di-2-ethylhexyl-isobutyramide (DEHiBA). Specifically, we compare and contrast the properties of two classes of models: (1) purely data-driven models that are regularized using chemistry-agnostic, L1 regression and (2) chemistry-informed models that are regularized using relative reaction energies provided by quantum mechanical calculations. We observe that purely data-driven models are unbiased, simple, and accurate in their predictions of experimental measurements when provided with sufficient data but are difficult to fully constrain and interpret. In contrast, chemistry-informed models exhibit significantly improved chemical interpretability and consistency, providing a detailed description of the separation process while achieving high accuracy through ensemble averaging. Overall, the dominant species predicted to be extracted into the organic phase is UO 2 (NO 3 ) 2 (DEHiBA) 2 , agreeing with experimental slope analysis, thermodynamic modeling, EXAFS, and crystal structures. This work demonstrates that leveraging the fundamental structure of the problem can lead to efficient learning schemes that provide both accurate predictions and chemical insights at a low computational cost.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Global Carbon Budget 2016

Accurate assessment of anthropogenic carbon dioxide (CO 2 ) emissions and their redistribution among the atmosphere, ocean, and terrestrial biosphere – the “global carbon budget” – is important to better understand the global carbon cycle, support the development of climate policies, and project future climate change. Here we describe data sets and methodology to quantify all major components of the global carbon budget, including their uncertainties, based on the combination of a range of data, algorithms, statistics, and model estimates and their interpretation by a broad scientific community. We discuss changes compared to previous estimates and consistency within and among components, alongside methodology and data limitations. CO 2 emissions from fossil fuels and industry ( E FF ) are based on energy statistics and cement production data, respectively, while emissions from land-use change ( E LUC ), mainly deforestation, are based on combined evidence from land-cover change data, fire activity associated with deforestation, and models. The global atmospheric CO 2 concentration is measured directly and its rate of growth ( G ATM ) is computed from the annual changes in concentration. The mean ocean CO 2 sink ( S OCEAN ) is based on observations from the 1990s, while the annual anomalies and trends are estimated with ocean models. The variability in S OCEAN is evaluated with data products based on surveys of ocean CO 2 measurements. The global residual terrestrial CO 2 sink ( S LAND ) is estimated by the difference of the other terms of the global carbon budget and compared to results of independent dynamic global vegetation models. We compare the mean land and ocean fluxes and their variability to estimates from three atmospheric inverse methods for three broad latitude bands. All uncertainties are reported as ±1 σ , reflecting the current capacity to characterise the annual estimates of each component of the global carbon budget. For the last decade available (2006–2015), E FF was 9.3 ± 0.5 GtC yr -1 , E LUC 1.0 ± 0.5 GtC yr -1 , G ATM 4.5 ± 0.1 GtC yr -1 , S OCEAN 2.6 ± 0.5 GtC yr -1 , and S LAND 3.1 ± 0.9 GtC yr -1 . For year 2015 alone, the growth in E FF was approximately zero and emissions remained at 9.9 ± 0.5 GtC yr -1 , showing a slowdown in growth of these emissions compared to the average growth of 1.8 % yr -1 that took place during 2006–2015. Also, for 2015, E LUC was 1.3 ± 0.5 GtC yr -1 , G ATM was 6.3 ± 0.2 GtC yr -1 , S OCEAN was 3.0 ± 0.5 GtC yr -1 , and S LAND was 1.9 ± 0.9 GtC yr -1 . G ATM was higher in 2015 compared to the past decade (2006–2015), reflecting a smaller S LAND for that year. The global atmospheric CO 2 concentration reached 399.4 ± 0.1 ppm averaged over 2015. For 2016, preliminary data indicate the continuation of low growth in E FF with +0.2 % (range of -1.0 to +1.8 %) based on national emissions projections for China and USA, and projections of gross domestic product corrected for recent changes in the carbon intensity of the economy for the rest of the world. In spite of the low growth of E FF in 2016, the growth rate in atmospheric CO 2 concentration is expected to be relatively high because of the persistence of the smaller residual terrestrial sink ( S LAND ) in response to El Niño conditions of 2015–2016. From this projection of E FF and assumed constant E LUC for 2016, cumulative emissions of CO 2 will reach 565 ± 55 GtC (2075 ± 205 GtCO 2 ) for 1870–2016, about 75 % from E FF and 25 % from E LUC . This living data update documents changes in the methods and data sets used in this new carbon budget compared with previous publications of this data set (Le Quéré et al., 2015b, a, 2014, 2013). All observations presented here can be downloaded from the Carbon Dioxide Information Analysis Center ( doi:10.3334/CDIAC/GCP_2016 ).

54 ENVIRONMENTAL SCIENCES↗

Laboratory and theoretical models of planetary-scale instabilities and waves

Meteorologists and planetary astronomers interested in large-scale planetary and solar circulations recognize the importance of rotation and stratification in determining the character of these flows. In the past it has been impossible to accurately model the effects of sphericity on these motions in the laboratory because of the invariant relationship between the uni-directional terrestrial gravity and the rotation axis of an experiment. Researchers studied motions of rotating convecting liquids in spherical shells using electrohydrodynamic polarization forces to generate radial gravity, and hence centrally directed buoyancy forces, in the laboratory. The Geophysical Fluid Flow Cell (GFFC) experiments performed on Spacelab 3 in 1985 were analyzed. Recent efforts at interpretation led to numerical models of rotating convection with an aim to understand the possible generation of zonal banding on Jupiter and the fate of banana cells in rapidly rotating convection as the heating is made strongly supercritical. In addition, efforts to pose baroclinic wave experiments for future space missions using a modified version of the 1985 instrument led to theoretical and numerical models of baroclinic instability. Rather surprising properties were discovered, which may be useful in generating rational (rather than artificially truncated) models for nonlinear baroclinic instability and baroclinic chaos.

Hart, John E.↗

From inflation to recent cosmic acceleration: the fermionic Elko field driving the evolution of the universe

In this paper we construct the complete evolution of the universe driven by the mass dimension one dark spinor called Elko, starting with inflation, passing by the matter dominated era and finishing with the recent accelerated expansion. The dynamic of the fermionic Elko field with a symmetry breaking type potential can reproduce all phases of the universe in a natural and elegant way. The dynamical equations in general case and slow roll conditions in the limit H || m {sub pl} are also presented for the Elko system. Numerical analysis for the number of e-foldings during inflation, energy density after inflation and for present time and also the actual size of the universe are in good agreement with the standard model of cosmology. An interpretation of the inflationary phase as a result of Pauli exclusion principle is also possible if the Elko field is treated as an average value of its quantum analogue.

79 ASTRONOMY AND ASTROPHYSICS↗

Interpreting Black-Box Classifiers Using Instance-Level Visual Explanations

To realize the full potential of machine learning in diverse real- world domains, it is necessary for model predictions to be readily interpretable and actionable for the human in the loop. Analysts, who are the users but not the developers of machine learning models, often do not trust a model because of the lack of transparency in associating predictions with the underlying data space. To address this problem, we propose Rivelo, a visual analytic interface that enables analysts to understand the causes behind predictions of binary classifiers by interactively exploring a set of instance-level explanations. These explanations are model-agnostic, treating a model as a black box, and they help analysts in interactively probing the high-dimensional binary data space for detecting features relevant to predictions. We demonstrate the utility of the interface with a case study analyzing a random forest model on the sentiment of Yelp reviews about doctors.

Tamagnini, Paolo↗

Rare and Experimentally Challenging Supersymmetry Signatures

Supersymmetry has long played a central role in the search for physics beyond the Standard Model at colliders, providing a comprehensive and internally consistent framework for generating well-motivated experimental signatures. For more than 15 years of Large Hadron Collider (LHC) operation, the CMS and ATLAS Collaborations have achieved remarkable sensitivity to a wide range of supersymmetric signatures. Despite this unprecedented reach, no conclusive evidence for supersymmetry has emerged. If supersymmetry is nature's solution to outstanding questions in particle physics, it is necessarily challenging to find. In this article, we review supersymmetric signatures that are particularly rare or otherwise challenging, with a focus on searches at the LHC. We highlight experimental challenges related to detector constraints and analysis difficulties, in addition to model challenges in the interpretation and optimization of searches. Here, we also identify regions of signature space that remain comparatively unconstrained and therefore represent promising targets for future exploration.

Large Hadron Collider↗

Designing for Damage: Robust Flight Control Design using Sliding Mode Techniques

A brief review of sliding model control is undertaken, with particular emphasis upon the effects of neglected parasitic dynamics. Sliding model control design is interpreted in the frequency domain. The inclusion of asymptotic observers and control 'hedging' is shown to reduce the effects of neglected parasitic dynamics. An investigation into the application of observer-based sliding mode control to the robust longitudinal control of a highly unstable is described. The sliding mode controller is shown to exhibit stability and performance robustness superior to that of a classical loop-shaped design when significant changes in vehicle and actuator dynamics are employed to model airframe damage.

Vetter, T. K.↗

From Minkowski to de Sitter in multifield no-scale models

We show the uniqueness of superpotentials leading to Minkowski vacua of single-field no-scale supergravity models, and the construction of dS/AdS solutions using pairs of these single-field Minkowski superpotentials. We then extend the construction to two- and multifield no-scale supergravity models, providing also a geometrical interpretation. We also consider scenarios with additional twisted or untwisted moduli fields, and discuss how inflationary models can be constructed in this framework.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantitative Prediction of Perovskite Stability Using Accelerated Testing and Machine Learning

PV technologies based on hybrid perovskites offer the potential for reducing solar cell costs, but they are particularly vulnerable to degradation by environmental factors such as moisture, oxygen, and illumination. Commercialization will require not only stable materials and device architectures but also accelerated testing protocols and models that can predict degradation from the accelerated testing data. Here, we report results from in situ photoluminescence (PL) and photoconductivity (PC) measurements during perovskite degradation with simultaneous optical transmittance (Tr) measurements or reflected dark field (DF) imaging. From PL, PC, Tr, and DF, we determine (respectively) the steady-state quasi-Fermi level splitting, the mean effective carrier diffusion length, the extent of conversion of perovskite to higher bandgap degradation products, and the extent of scattering from domains with different orientation or composition, all as a function of time during degradation. Simultaneous measurement of PL-PC-Tr or PL-PC-DF on perovskite absorbers in an environmental chamber over a wide range of humidity, oxygen, temperature, and illumination levels yields a rich data set. We use machine learning to develop a model that accurately predicts (within 10%) the time for the diffusion length to decrease to 85% of its initial value. The model takes the environmental conditions and the first few measurements from the PL-PC-Tr or PL-PC-DF experiment as input. Thus, the model provides a framework to interpret the results of accelerated testing of absorber materials. One of the dominant features in the model of degradation for CH 3 NH 3 PbI 3 is the initial rate at which transmittance increase. For devices with opaque contacts, the pixel-averaged rate of change of the intensity in dark-field images can be used in place of transmittance. Results are also presented on full PV devices with in-situ current-voltage (JV) measurements. Here, the data from simultaneous PL-DF-JV under environmental stresses reveal intimate connection between degradation and shunts and provide a framework to extend accelerated testing to devices. Further, the presentation reveals underlying universal behavior in degradation pathways over a broad range of environmental stresses and perovskite compositions.

14 SOLAR ENERGY↗

Search for dark matter produced in association with a Higgs boson decaying to a pair of bottom quarks in proton–proton collisions at $\sqrt{s}=13\,\text {Te}\text {V} $ Te

A search for dark matter produced in association with a Higgs boson decaying to a pair of bottom quarks is performed in proton-proton collisions at a center-of-mass energy of 13 TeV collected with the CMS detector at the LHC. The analyzed data sample corresponds to an integrated luminosity of 35.9 fb$^{-1}$. The signal is characterized by a large missing transverse momentum recoiling against a bottom quark-antiquark system that has a large Lorentz boost. The number of events observed in the data is consistent with the standard model background prediction. Results are interpreted in terms of limits both on parameters of the type-2 two-Higgs doublet model extended by an additional light pseudoscalar boson a (2HDM+a) and on parameters of a baryonic Z' simplified model. For the baryonic Z' model, the presented results constitute the most stringent constraints to date. The 2HDM+a model is tested experimentally for the first time.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Compositional characteristics of some Apollo 14 clastic materials.

Eighty-two subsamples of Apollo 14 materials have been analyzed by instrumental neutron activation analysis techniques for as many as 25 elements. In many cases, it was necessary to develop new procedures to allow analyses of small specimens. Compositional relationships among Apollo 14 materials indicate that there are small but systematic differences between regolith from the valley terrain and that from Cone Crater ejecta. Fragments from 1-2 mm size fractions of regolith samples may be divided into compositional classes, and the 'soil breccias' among them are very similar to valley soils. Multicomponent linear mixing models have been used as interpretive tools in dealing with data on regolith fractions and subsamples from breccia 14321. These mixing models show systematic compositional variations with inferred age for Apollo 14 clastic materials.

Lindstrom, M. M.↗