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At least 1,135 records · Page 63

Bayesian learning of orthogonal embeddings for multi-fidelity Gaussian Processes

Uncertainty propagation in complex engineering systems often poses significant computational challenges related to modeling and quantifying probability distributions of model outputs, as those emerge as the result of various sources of uncertainty that are inherent in the system under investigation. Gaussian Processes regression (GPs) is a robust meta-modeling technique that allows for fast model prediction and exploration of response surfaces. Multi-fidelity variations of GPs further leverage information from cheap and low fidelity model simulations in order to improve their predictive performance on the high fidelity model. In order to cope with the high volume of data required to train GPs in high dimensional design spaces, a common practice is to introduce latent design variables that are typically projections of the original input space to a lower dimensional subspace, and therefore substitute the problem of learning the initial high dimensional mapping, with that of training a GP on a low dimensional space. Here in this paper, we present a Bayesian approach to identify optimal transformations that map the input points to low dimensional latent variables. The \projection" mapping consists of an orthonormal matrix that is considered a priori unknown and needs to be inferred jointly with the GP parameters, conditioned on the available training data. The proposed Bayesian inference scheme relies on a two-step iterative algorithm that samples from the marginal posteriors of the GP parameters and the projection matrix respectively, both using Markov Chain Monte Carlo (MCMC) sampling. In order to take into account the orthogonality constraints imposed on the orthonormal projection matrix, a Geodesic Monte Carlo sampling algorithm is employed, that is suitable for exploiting probability measures on manifolds. We extend the proposed framework to multi-fidelity models using GPs including the scenarios of training multiple outputs together. We validate our framework on three synthetic problems with a known lower-dimensional subspace. The benefits of our proposed framework, are illustrated on the computationally challenging aerodynamic optimization of a last-stage blade for an industrial gas turbine, where we study the effect of an 85-dimensional shape parameterization of a three-dimensional airfoil on two output quantities of interest, specifically on the aerodynamic efficiency and the degree of reaction

42 ENGINEERING↗

Chandra Observations of a Young Embedded Magnetic B Star in the p Ophiuchus Cloud

This paper reports the analysis of two Chandra X-ray observations of the young magnetic B star rho Ophiuchus S1. X-ray emission from the star was detected in both observations. The average flux is almost the same in both, but during each observation the flux shows significant time variations by a factor of two on timescales of 20-40 ksec. Each spectrum can be fit by either an absorbed power law model with a photon index of approx. -3 or a thin-thermal plasma model with a temperature of approx. 2 keV and an extremely low metal abundance (approx. less than 0.1 solar). The spectrum of the first observation has an apparent line feature at about 6.8 keV, which likely corresponds to highly ionized iron K alpha. In contrast, the spectrum of the second observation shows an anomalous edge absorption component at E approx. 1 keV. The continuum emission and log (L(sub X)/L(sub bol)) approx. -6 are similar to those of young intermediate-mass stars (Herbig Ae/Be stars) although the presence of the magnetic field inferred from the detection of non-thermal radio emission has drawn an analogy between rho Ophiuchus S1 and magnetic chemically peculiar (MCP) stars. If the X-ray emission is thermal, the highest plasma temperature observed is too high to be explained by the conventional theories of magnetic stars, and favors some kind of magnetic dynamo activity, while if the emission is nonthermal, it might be related to mass infall. The 6.8 keV line and 4 keV edge features are marginal but they give important information near the stellar body if they are real. Their physical interpretation is discussed.

Hamaguchi, Kenji↗

Measurements of Titan’s Stratospheric Winds during the 2009 Equinox with the eSMA

Saturn’s moon Titan possesses stratospheric zonal winds that places it among a sparse class of planetary bodies known to have superrotation in their atmospheres. Few measurements have been made of these speeds in the upper stratosphere, leaving their seasonal variations still not well understood. We examined observations made with the extended Submillimeter Array in 2009 March ( L s = 355°) and 2010 February ( L s = 5°), shortly before and after Titanʼs northern spring equinox. Cassini observations and atmospheric models find equinoctial periods to be especially dynamic. Zonal wind calculations, derived from the Doppler frequency shift of CH 3 CN near 349.4 GHz, yielded speeds of 128 ± 27 m s −1 in 2009 and 209 ± 48 m s −1 in 2010. We estimated the measured emission to originate from vertical altitudes of 336 +112 - 88 km, equivalent to pressures of 3.8 +19.2 -3.4 Pa, commensurate with Titan’s upper stratosphere/lower mesosphere. This suggests a possible increase in zonal speeds during this period. The results are then compared to those from previous Cassini-inferred and direct-interferometric observations of winds, as well as general circulation model simulations, to form a more complete picture of the seasonal cycle of stratospheric zonal winds.

Siobhan Light↗

Mercury's Global Topography from Radar Ranging Data

When Mercury's radius is expanded in Legendre functions to the second degree and order, the systematic error in radar ranging data is reduced substantially. Previously, data spanning an observing interval from 1966 to 1990 were used to infer an equatorial ellipticity (a - b)/a = (540 +/- 54) X 10(exp -6) and a center-of-figure minus center-of-mass offset of (640 +/- 78) m. The magnitude of this equatorial center of figure offset implies an excess crustal thickness of 12 km or less, comparable to the Moon's excess. By comparing the equatorial ellipticity with the Mariner 10 gravity field, and assuming Airy isostatic compensation, bounds on crustal thickness can be derived. Mercury's crustal thickness is in the range from 100 to 300 km. The Mercury radar ranging observing interval has been extended from 1966 to the present. In addition, improvements in data reduction techniques have resulted in a set of Mercury ranging data less affected by systematic error, in particular the biases introduced by local topographic variations. We use this new set of reduced ranging data to improve Mercury's global topography and center-of-figure minus center-of-mass offset. New results on crustal thickness are derived, and prospects for further improvement with Mercury Orbiter data are discussed.

Anderson, J. D.↗

A multi-model assessment of the early last deglaciation (PMIP4 LDv1): a meltwater perspective

Abstract. The last deglaciation (∼20–11 ka BP) is a period of a major, long-term climate transition from a glacial to interglacial state that features multiple centennial- to decadal-scale abrupt climate variations whose root cause is still not fully understood. To better understand this time period, the Paleoclimate Modelling Intercomparison Project (PMIP) has provided a framework for an internationally coordinated endeavour in simulating the last deglaciation whilst encompassing a broad range of models. Here, we present a multi-model intercomparison of 17 transient simulations of the early part of the last deglaciation (∼20–15 ka BP) from nine different climate models spanning a range of model complexities and uncertain boundary conditions and forcings. The numerous simulations available provide the opportunity to better understand the chain of events and mechanisms of climate changes between 20 and 15 ka BP and our collective ability to simulate them. We conclude that the amount of freshwater forcing and whether it follows the ice sheet reconstruction or induces an inferred Atlantic meridional overturning circulation (AMOC) history, heavily impacts the deglacial climate evolution for each simulation rather than differences in the model physics. The course of the deglaciation is consistent between simulations except when the freshwater forcing is above 0.1 Sv – at least 70 % of the simulations agree that there is warming by 15 ka BP in most places excluding the location of meltwater input. For simulations with freshwater forcings that exceed 0.1 Sv from 18 ka BP, warming is delayed in the North Atlantic and surface air temperature correlations with AMOC strength are much higher. However, we find that the state of the AMOC coming out of the Last Glacial Maximum (LGM) also plays a key role in the AMOC sensitivity to model forcings. In addition, we show that the response of each model to the chosen meltwater scenario depends largely on the sensitivity of the model to the freshwater forcing and other aspects of the experimental design (e.g. CO2 forcing or ice sheet reconstruction). The results provide insight into the ability of our models to simulate the first part of the deglaciation and how choices between uncertain boundary conditions and forcings, with a focus on freshwater fluxes, can impact model outputs. We can use these findings as helpful insight in the design of future simulations of this time period.

Snoll, Brooke (ORCID:0000000230914394)↗

Differences in substrate use linked to divergent carbon flow during litter decomposition

ABSTRACT Discovering widespread microbial processes that create variation in soil carbon (C) cycling within ecosystems may improve soil C modeling. Toward this end, we screened 206 soil communities decomposing plant litter in a common garden microcosm environment and examined features linked to divergent patterns of C flow. C flow was measured as carbon dioxide (CO2) and dissolved organic carbon (DOC) from 44-days of litter decomposition. Two large groups of microbial communities representing ‘high’ and ‘low’ DOC phenotypes from original soil and 44-day microcosm samples were down-selected for fungal and bacterial profiling. Metatranscriptomes were also sequenced from a smaller subset of communities in each group. The two groups exhibited differences in average rate of CO2 production, demonstrating that the divergent patterns of C flow arose from innate functional constraints on C metabolism, not a time-dependent artefact. To infer functional constraints, we identified features – traits at the organism, pathway or gene level – linked to the high and low DOC phenotypes using RNA-Seq approaches and machine learning approaches. Substrate use differed across the high and low DOC phenotypes. Additional features suggested that divergent patterns of C flow may be driven in part by differences in organism interactions that affect DOC abundance directly or indirectly by controlling community structure.

59 BASIC BIOLOGICAL SCIENCES↗

The interpretation of crustal dynamics data in terms of plate motions and regional deformation near plate boundaries

During our participation in the NASA Crustal Dynamics Project under NASA contract NAS-27339 and grant NAG5-814 for the period 1982-1991, we published or submitted for publication 30 research papers and 52 abstracts of presentations at scientific meetings. In addition, five M.I.T. Ph.D. students (Eric Bergman, Steven Bratt, Dan Davis, Jeanne Sauber, Anne Sheehan) were supported wholly or in part by this project during their thesis research. Highlights of our research progress during this period include the following: application of geodetic data to determine rates of strain in the Mojave block and in central California and to clarify the relation of such strain to the San Andreas fault and Pacific-North American plate motions; application of geodetic data to infer post seismic deformation associated with large earthquakes in the Imperial Valley, Hebgen Lake, Argentina, and Chile; determination of the state of stress in oceanic lithosphere from a systematic study of the centroid depths and source mechanisms of oceanic intraplate earthquakes; development of models for the state of stress in young oceanic regions arising from the differential cooling of the lithosphere; determination of the depth extent and rupture characteristics of oceanic transform earthquakes; improved determination of earthquake slip vectors in the Gulf of California, an important data set for the estimation of Pacific-North American plate motions; development of models for the state of stress and mechanics of fold-and-thrust belts and accretionary wedges; development of procedures to invert geoid height, residual bathymetry, and differential body wave travel time residuals for lateral variations in the characteristic temperature and bulk composition of the oceanic upper mantle; and initial GPS measurements of crustal deformation associated with the Imperial-Cerro Prieto fault system in southern California and northern Mexico. Full descriptions of the research conducted on these topics may be found in the Semi-Annual status Reports submitted regularly to NASA over the course of this project and in the publications listed.

Solomon, Sean C.↗

Satellite estimation of the surface energy balance, moisture availability and thermal inertia

A method for inferring the distribution of surface heat and evaporative fluxes and the ground moisture availability and thermal inertia (ground conductive capacity) is used to analyze two urbanized areas, Los Angeles and St. Louis. The technique employs infrared satellite temperature measurements in conjunction with a one-dimensional boundary-layer model. Results show that there is a marked reduction of evaporation and moisture availability and a corresponding elevation of sensible heat flux over urbanized areas and over cropped areas with low vegetative cover. Conversely, low heat flux and high evaporation characterize vegetated and, especially, forested areas. Warm urban centers appear directly related to a reduction in vegetation, which normally allows for a greater fraction of available radiant energy to be converted into latent heat flux. The distribution of thermal inertia was surprisingly ill-defined and its variation between urban and rural areas was quite small. Thus, the increased heat storage within the urban fabric, which has been proposed as the underlying cause of the nocturnal heat island, may be caused mainly by enhanced daytime surface heating which occurs because of surface dryness, rather than by large spatial variations in the conductivity of the surface.

Carlson, T. N.↗

Initial soil organic carbon stocks govern changes in soil carbon: Reality or artifact?

Abstract Changes in soil organic carbon (SOC) storage have the potential to affect global climate; hence identifying environments with a high capacity to gain or lose SOC is of broad interest. Many cross‐site studies have found that SOC‐poor soils tend to gain or retain carbon more readily than SOC‐rich soils. While this pattern may partly reflect reality, here we argue that it can also be created by a pair of statistical artifacts. First, soils that appear SOC‐poor purely due to random variation will tend to yield more moderate SOC estimates upon resampling and hence will appear to accrue or retain more SOC than SOC‐rich soils. This phenomenon is an example of regression to the mean. Second, normalized metrics of SOC change—such as relative rates and response ratios—will by definition show larger changes in SOC at lower initial SOC levels, even when the absolute change in SOC does not depend on initial SOC. These two artifacts create an exaggerated impression that initial SOC stocks are a major control on SOC dynamics. To address this problem, we recommend applying statistical corrections to eliminate the effect of regression to the mean, and avoiding normalized metrics when testing relationships between SOC change and initial SOC. Careful consideration of these issues in future cross‐site studies will support clearer scientific inference that can better inform environmental management.

54 ENVIRONMENTAL SCIENCES↗

Inference of phase field fracture models

The phase field approach to modeling fracture uses a diffuse damage field to represent cracks. This representation mollifies singularities that arise in computations with sharp interface models and some of the resultant difficulties in the mathematical and numerical treatment of fracture. Phase field fracture models have proven effective at representing crack propagation, branching, and merging. Specific formulations, beginning with brittle fracture, have also been shown to converge to classical solutions. Extensions to cover the range of material failure, including ductile and cohesive fracture, lead to an array of possible models. There exists a large body of literature focusing on this class of models and on the impact of model form on the predicted crack evolution. However, there have not been systematic studies into how optimal models may be chosen. Here, we take a first step in this direction by developing formal methods for identification of the best parsimonious model of phase field fracture given full-field data on the damage and deformation fields. We consider some of the main models that have been used for the degradation of elastic response due to damage and its propagation. Our approach builds upon Variational System Identification (VSI), a weak form variant of the Sparse Identification of Nonlinear Dynamics (SINDy). Furthermore, in this first communication we focus on synthetically generated data but we also consider central issues associated with the use of experimental full-field data, such as data sparsity and noise.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Rapid assessment of the creep rupture life of metals: A model enabling experimental design

Prediction of the creep rupture life of engineering metals is critical for qualification and design of new materials. The use of long-term creep tests and the need to quantify the performance variability in a priori similar systems hinder the rapid creep assessment of a given material. Therefore, it is essential to develop methods that can extrapolate the long-term performance of alloys and the associated variability from short-term experiments. To this end, this study introduces a new model which enables the estimation of the rupture life of a material for a given stress and temperature. This model relies on two components. First, a new relation for the minimum creep rate (MCR) of materials is introduced. It includes a stress dependent stress exponent allowing the model to capture the variation of MCR across a wide range of temperatures and stresses. Second, employing the Monkman-Grant (MG) law, we establish a relation between stress, temperature and creep rupture life. Together, these two elements yield a new closed-form mathematical expression for the Larson Miller parameter as a function of stress and temperature. This expression captures the creep rupture time for many metals (Gr91, Copper, Gr122 and 347H) and compares favorably with alternate empirical approaches. The model is then used to assess the minimum duration of creep rates necessary to qualify the material up to 100000h. Furthermore, it is found that depending on the material system, creep tests as few as five limited to 5000 h for steels (Gr91, Gr122, 347H) and 100 h for copper are sufficient to model creep lifetimes. Finally, using a Bayesian inference-based approach to calibrate the model, we demonstrate that variability in rupture life can be captured via the quantification of the uncertainty in the model parameters and extrapolated from a limited number of short to moderately short creep tests; thereby paving the way for accelerated creep testing.

36 MATERIALS SCIENCE↗

Probing New physics with high-redshift quasars: axions and non-standard cosmology

The Hubble diagram of quasars, as candidates to “standardizable” candles, has been used to measure the expansion history of the Universe at late times, up to very high redshifts ( z ~ 7). It has been shown that this history, as inferred from the quasar dataset, deviates at ≳ 3 σ level from the concordance (ΛCDM) cosmology model preferred by the cosmic microwave background (CMB) and other datasets. In this article, we investigate whether new physics beyond ΛCDM (BΛCDM) or beyond the Standard Model (BSM) could make the quasar data consistent with the concordance model. We first show that an effective redshift-dependent relation between the quasar UV and X-ray luminosities, complementing previous phenomenological work in the literature, can potentially remedy the discrepancy. Such a redshift dependence can be realized in a BSM model with axion-photon conversion in the intergalactic medium (IGM), although the preferred parameter space is in tension with various other astrophysical constraints on axions, at a level depending on the specific assumptions made regarding the IGM magnetic field. We briefly discuss a variation of the axion model that could evade these astrophysical constraints. On the other hand, we show that models beyond ΛCDM such as one with a varying dark energy equation of state ( w CDM) or the phenomenological cosmographic model with a polynomial expansion of the luminosity distance, cannot alleviate the tension. The code for our analysis, based on emcee [1] and corner.py [2], is publicly available at github.com/ChenSun-Phys/high_z_candles.

79 ASTRONOMY AND ASTROPHYSICS↗

Hindered segmental dynamics in associative protein hydrogels studied by neutron spin-echo spectroscopy

Transient binding between associating macromolecules can cause qualitative changes to chain dynamics, including modes of conformational relaxation and diffusion, through tethering effects imparted by long-range connectivity. Here, in this work, the role of binding on short-time segmental dynamics in associative polymer gels is investigated by neutron spin-echo (NSE) measurements on a class of model artificial coiled-coil proteins with a systematically varied architecture, probing timescales of 0.1–130 ns, and length scales close to the molecular radius of gyration. The results illustrate effects of transient cross-linking on chain dynamics on different timescales, manifested in changes in segmental relaxation behavior with variations in strand length, chain concentration, and sticker distribution (endblock- vs midblock-functionalized). In all gels, a short-time cooperative diffusion mode is seen over all wave vectors, analogous to a semidilute solution, with no transitions seen at any known structural length scale. However, the diffusion coefficients are found to decrease with increasing junction density across all gels, with the strand length and number of stickers per chain in each gel appearing to play a relatively minor role. The slowing of cooperative diffusion with junction density contrasts with classical predictions of a greater restoring force for fluctuation dissipation due to the increased elasticity, suggesting additional effects of the coiled-coil junctions such as an enhancement in local viscosity that slows dynamics. Notably, the relaxation rates for all gels can be rescaled by the interjunction spacing inferred from small-angle neutron scattering, where they collapse onto a master curve suggestive of self-similar dynamics even in networks with different strand lengths and chain architectures. On long timescales (but shorter than the junction exchange time), a slowing of network relaxation is observed, resulting in a nondecaying plateau in the spin-echo amplitude attributed to a freezing of chain dynamics due to tethering. A characteristic length scale corresponding to the extent of dynamic fluctuations is estimated for each gel, which appears to be smaller than the interjunction spacing but similar to the correlation blob size of the overlapping strands. The results indicate an important role of transient binding on molecular-scale dynamics in associative polymer gels, even on timescales shorter than the junction exchange time, in addition to its effects on long-range self-diffusion previously observed.

36 MATERIALS SCIENCE↗

Application of machine learning approaches in the analysis of mass absorption cross-section of black carbon aerosols: Aerosol composition dependencies and sensitivity analyses

Physics-based models typically require an in-depth understanding of a phenomenon and assumptions of the underlying process(es), which are often hard to obtain in practice, whereas data-driven machine learning models learn the structure and patterns in the training data without any prior theoretical assumptions and then use inference to develop useful predictions. A novel machine learning-based algorithm has been previously developed for the prediction of black carbon mass absorption cross-section (MAC BC ) and applied to a variety of different atmospheric environments. In contrast to light scattering theories which require assumptions about the underlying physics, this algorithm uses time-series data of aerosol properties to estimate the temporally-varying MAC BC at 870 nm. Here, we analyze our algorithm and discuss the influence of aerosol optical properties (such as Ångström exponents and single scattering albedo) and chemical composition on the model outputs and the associated accuracy. Additionally, we conduct sensitivity analyses on our models to understand how the predictions change in response to different sets of input variables. Our support vector machine (SVM) for regression model is the least sensitive to variations in the input variables, although all models tend to exhibit a degradation to their accuracy when scattering Ångström exponents are less than one.

54 ENVIRONMENTAL SCIENCES↗

Simulations of Titan's Brightness by a Two-Dimensional Haze Model

We have used a 2-D microphysics model to study the effects of atmospheric motions on the albedo of Titan's thick haze layer. We compare our results to the observed variations of Titan's brightness with season and latitude. We use two wind fields. The first is an analytic solution to the simplified equations of motion. The second is based on the preliminary results of a Titan GCM. Seasonally varying wind fields, of typical horizontal velocity 1 cm/ s at optical depth unity, are capable of producing the observed change in geometric albedo of about 10% over the Titan year. Neither of the two wind fields can adequately reproduce the latitudinal distribution of the contrast seen by Voyager. At visible wavelengths, where only haze opacity is radiatively important, upwelling produces darkening by increasing the particle size at optical depth unity. This is due to the suspension of larger particles as well as the removal of smaller particles from the top of the atmosphere. From our results it can be inferred that the circulation on Titan just prior to the time of Voyager was upwelling in the northern hemisphere and downwelling in the southern hemisphere with broad regions of uniform wind separated by a sharp transition at 10 deg. S. At UV wavelengths and at 0.89 microns the albedo is determined by the competing effects of the gas and the haze material. Gas is bright in the UV and dark at 0.89 microns. Haze transport at high altitudes controls the UV albedo and transport at low altitude controls the 0.89 microns albedo. Comparisons between the hemispheric contrast at UV and IR wavelengths can be diagnostic of the vertical structure of the wind field on Titan. Infrared albedo features, which are in the lower atmosphere and persist for many rotations could reflect the haze distribution set up by a seasonally varying circulation rather than surface features as assumed in some observational studies.

Hutzell, W.↗

Relation Between Type II Bursts and CMEs Inferred from STEREO Observations

The inner coronagraph (COR1) of the Solar Terrestrial Relations Observatory (STEREO) mission has made it possible to observe CMEs in the spatial domain overlapping with that of the metric type II radio bursts. The type II bursts were associated with generally weak flares (mostly B and C class soft X-ray flares), but the CMEs were quite energetic. Using CME data for a set of type II bursts during the declining phase of solar cycle 23, we determine the CME height when the type II bursts start, thus giving an estimate of the heliocentric distance at which CME-driven shocks form. This distance has been determined to be approx. 1.5Rs (solar radii), which coincides with the distance at which the Alfven speed profile has a minimum value.We also use type II radio observations from STEREO/WAVES and Wind/WAVES observations to show that CMEs with moderate speed drive either weak shocks or no shock at all when they attain a height where the Alfven speed peaks (approx. 3Rs - 4Rs). Thus the shocks seem to be most efficient in accelerating electrons in the heliocentric distance range of 1.5Rs to 4Rs. By combining the radial variation of the CME speed in the inner corona (CME speed increase) and interplanetary medium (speed decrease) we were able to correctly account for the deviations from the universal drift-rate spectrum of type II bursts, thus confirming the close physical connection between type II bursts and CMEs. The average height (approx 1.5Rs) of STEREO CMEs at the time of type II bursts is smaller than that (2.2Rs) obtained for SOHO (Solar and Heliospheric Observatory) CMEs. We suggest that this may indicate, at least partly, the density reduction in the corona between the maximum and declining phases, so a given plasma level occurs closer to the Sun in the latter phase. In two cases, there was a diffuse shock-like feature ahead of the main body of the CME, indicating a standoff distance of 1Rs - 2Rs by the time the CME left the LASCO field of view.

Solar Energetic Particles↗

Consistent and reproducible computation of the glass transition temperature from molecular dynamics simulations

In many fields, from semiconductors for opto-electronic applications to ionic liquids (ILs) for separations, the glass transition temperature (Tg) of a material is a useful gauge for its potential use in practical settings. As a result, there is a great deal of interest in predicting Tg using molecular simulations. However, the uncertainty and variation in the trend shift method, a common approach in simulations to predict Tg, can be high. This is due to the need for human intervention in defining a fitting range for linear fits of density with temperature assumed for the liquid and glass phases across the simulated cooling. The definition of such fitting ranges then defines the estimate for the Tg as the intersection of linear fits. We eliminate this need for human intervention by leveraging the Shapiro–Wilk normality test and proposing an algorithm to define the fitting ranges and, consequently, Tg. Through this integration, we incorporate into our automated methodology that residuals must be normally distributed around zero for any fit, a requirement that must be met for any regression problem. Consequently, fitting ranges for realizing linear fits for each phase are statistically defined rather than visually inferred, obtaining an estimate for Tg without any human intervention. The method is also capable of finding multiple linear regimes across density vs temperature curves. We compare the predictions of our proposed method across multiple IL and semiconductor molecular dynamics simulation results from the literature and compare other proposed methods for automatically detecting Tg from density–temperature data. We believe that our proposed method would allow for more consistent predictions of Tg. We make this methodology available and open source through GitHub.

Chemistry↗

Misinterpreting modified gravity as dark energy: a quantitative study

Standard cosmological data analyses typically constrain simple phenomenological dark-energy parameters, for example the present-day value of the equation of state parameter, w 0 , and its variation with scale factor, w a . However, results from such an analysis cannot easily indicate the presence of modified gravity. Even if general relativity does not hold, experimental data could still be fit sufficiently well by a phenomenological w 0 w a CDM, unmodified-gravity model. Hence, it would be very useful to know if there are generic signatures of modified gravity in standard analyses. Here we present, for the first time to our knowledge, a quantitative mapping showing how modified gravity models look when (mis)interpreted within the standard unmodified-gravity analysis. Scanning through a broad space of modified-gravity (Horndeski) models, and assuming a near-future survey consisting of CMB, BAO, and SNIa observations, we report values of the best-fit set of cosmological parameters including (w 0 , w a ) that would be inferred if modified gravity were at work. We find that modified gravity models that can masquerade as standard gravity lead to very specific biases in standard-parameter spaces. Here, we also comment on implications for measurements of the amplitude of mass fluctuations described by the parameter S 8 .

79 ASTRONOMY AND ASTROPHYSICS↗