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At least 505 records · Page 28

Price equation captures the role of drug interactions and collateral effects in the evolution of multidrug resistance

Bacterial adaptation to antibiotic combinations depends on the joint inhibitory effects of the two drugs (drug interaction [DI]) and how resistance to one drug impacts resistance to the other (collateral effects [CE]). Here we model these evolutionary dynamics on two-dimensional phenotype spaces that leverage scaling relations between the drug-response surfaces of drug-sensitive (ancestral) and drug-resistant (mutant) populations. We show that evolved resistance to the component drugs – and in turn, the adaptation of growth rate – is governed by a Price equation whose covariance terms encode geometric features of both the two-drug-response surface (DI) in ancestral cells and the correlations between resistance levels to those drugs (CE). Within this framework, mean evolutionary trajectories reduce to a type of weighted gradient dynamics, with the drug interaction dictating the shape of the underlying landscape and the collateral effects constraining the motion on those landscapes. We also demonstrate how constraints on available mutational pathways can be incorporated into the framework, adding a third key driver of evolution. Our results clarify the complex relationship between drug interactions and collateral effects in multidrug environments and illustrate how specific dosage combinations can shift the weighting of these two effects, leading to different and temporally explicit selective outcomes.

Gjini, Erida↗

Active flutter suppression using optical output feedback digital controllers

A method for synthesizing digital active flutter suppression controllers using the concept of optimal output feedback is presented. A convergent algorithm is employed to determine constrained control law parameters that minimize an infinite time discrete quadratic performance index. Low order compensator dynamics are included in the control law and the compensator parameters are computed along with the output feedback gain as part of the optimization process. An input noise adjustment procedure is used to improve the stability margins of the digital active flutter controller. Sample rate variation, prefilter pole variation, control structure variation and gain scheduling are discussed. A digital control law which accommodates computation delay can stabilize the wing with reasonable rms performance and adequate stability margins.

Source record↗

On the solution of elastic-plastic static and dynamic postbuckling collapse of general structure

Many investigations have considered structural collapse from strictly the transient point of view. While such an approach is ideally correct, certain difficulties have to be overcome in its implementation. The present investigation is concerned with the development of self-adaptive algorithms which make it possible to conduct the analysis of both static elastic and elastic-plastic postbuckling, as well as static loading to the onset of buckling followed by subsequent dynamic postbuckling. The approach employed to solve the static portion of loading is to extend the constrained Incremental Newton-Raphson (INR) algorithm by incorporating elastic-plastic constitutive characterizations. Large deformation moderate strain theory is adopted to establish the overall strategy. Attention is given to governing field equations, aspects of algorithmic development, and numerical experiments conducted to illustrate the efficiency and stability of the developed schemes.

Padovan, J.↗

Effects of joint rate and displacement constraints on stability regions

A block diagram showing plant dynamics in normal mode coordinates, a linear feedback controller with command limits, and actuator dynamics with rate and displacement limits is given. The objective is to examine the effects of joint rate and displacement saturation limits on the stability regions. An unstable short period dynamic model is transformed into normal mode coordinates and is augmented with actuator dynamics. A linear feedback controller is used to provide closed-loop stability. The stability with constrained actuator rate limits under varying bandwidth, displacement and command limits is examined.

Shrivastava, P. C.↗

Application of decomposition techniques to the preliminary design of a transport aircraft

A multifaceted decomposition of a nonlinear constrained optimization problem describing the preliminary design process for a transport aircraft has been made. Flight dynamics, flexible aircraft loads and deformations, and preliminary structural design subproblems appear prominently in the decomposition. The use of design process decomposition for scheduling design projects, a new system integration approach to configuration control, and the application of object-centered programming to a new generation of design tools are discussed.

Rogan, J. E.↗

Viscous Design of TCA Configuration

The goal in this effort is to redesign the baseline TCA configuration for improved performance at both supersonic and transonic cruise. Viscous analyses are conducted with OVERFLOW, a Navier-Stokes code for overset grids, using PEGSUS to compute the interpolations between overset grids. Viscous designs are conducted with OVERDISC, a script which couples OVERFLOW with the Constrained Direct Iterative Surface Curvature (CDISC) inverse design method. The successful execution of any computational fluid dynamics (CFD) based aerodynamic design method for complex configurations requires an efficient method for regenerating the computational grids to account for modifications to the configuration shape. The first section of this presentation deals with the automated regridding procedure used to generate overset grids for the fuselage/wing/diverter/nacelle configurations analysed in this effort. The second section outlines the procedures utilized to conduct OVERDISC inverse designs. The third section briefly covers the work conducted by Dick Campbell, in which a dual-point design at Mach 2.4 and 0.9 was attempted using OVERDISC; the initial configuration from which this design effort was started is an early version of the optimized shape for the TCA configuration developed by the Boeing Commercial Airplane Group (BCAG), which eventually evolved into the NCV design. The final section presents results from application of the Natural Flow Wing design philosophy to the TCA configuration.

Krist, Steven E.↗

An Optimization Framework for Dynamic, Distributed Real-Time Systems

Abstract. This paper presents a model that is useful for developing resource allocation algorithms for distributed real-time systems .that operate in dynamic environments. Interesting aspects of the model include dynamic environments, utility and service levels, which provide a means for graceful degradation in resource-constrained situations and support optimization of the allocation of resources. The paper also provides an allocation algorithm that illustrates how to use the model for producing feasible, optimal resource allocations.

Eckert, Klaus↗

Exozodiacal Dust and Direct Imaging of Extrasolar Planets

Direct imaging of extrasolar planets means contending with dust from extrasolar asteroids and comets. This 'exozodiacal dust' creates a structured background light that can easily outshine the light from an exoEarth and confuse a planet-search mission like TPF or TOPS. But exozodiacal dust can be both friend and foe: planets can stir dust clouds into patterns that reveal the presence of the planet and constrain its mass and orbit. I'll describe some recent research on this topic: 3-D dynamical models of dust clouds with planets and searches for exozodiacal dust with the Keck Interferometer. The author also offers a prediction for the typical zodiacal dust background found around solar analogs, based on seafloor sediment data.

Kuchner, Marc↗

Instrumentation and Performance Analysis Plans for the HIFiRE Flight 2 Experiment

Supersonic combustion performance of a bi-component gaseous hydrocarbon fuel mixture is one of the primary aspects under investigation in the HIFiRE Flight 2 experiment. In-flight instrumentation and post-test analyses will be two key elements used to determine the combustion performance. Pre-flight computational fluid dynamics (CFD) analyses provide valuable information that can be used to optimize the placement of a constrained set of wall pressure instrumentation in the experiment. The simulations also allow pre-flight assessments of performance sensitivities leading to estimates of overall uncertainty in the determination of combustion efficiency. Based on the pre-flight CFD results, 128 wall pressure sensors have been located throughout the isolator/combustor flowpath to minimize the error in determining the wall pressure force at Mach 8 flight conditions. Also, sensitivity analyses show that mass capture and combustor exit stream thrust are the two primary contributors to uncertainty in combustion efficiency.

Gruber, Mark↗

A Global Model of Meteoric Sodium

A global model of sodium in the mesosphere and lower thermosphere has been developed within the framework of the National Center for Atmospheric Research's Whole Atmosphere Community Climate Model (WACCM). The standard fully interactive WACCM chemistry module has been augmented with a chemistry scheme that includes nine neutral and ionized sodium species. Meteoric ablation provides the source of sodium in the model and is represented as a combination of a meteoroid input function (MIF) and a parameterized ablation model. The MIF provides the seasonally and latitudinally varying meteoric flux which is modeled taking into consideration the astronomical origins of sporadic meteors and considers variations in particle entry angle, velocity, mass, and the differential ablation of the chemical constituents. WACCM simulations show large variations in the sodium constituents over time scales from days to months. Seasonality of sodium constituents is strongly affected by variations in the MIF and transport via the mean meridional wind. In particular, the summer to winter hemisphere flow leads to the highest sodium species concentrations and loss rates occurring over the winter pole. In the Northern Hemisphere, this winter maximum can be dramatically affected by stratospheric sudden warmings. Simulations of the January 2009 major warming event show that it caused a short-term decrease in the sodium column over the polar cap that was followed by a factor of 3 increase in the following weeks. Overall, the modeled distribution of atomic sodium in WACCM agrees well with both ground-based and satellite observations. Given the strong sensitivity of the sodium layer to dynamical motions, reproducing its variability provides a stringent test of global models and should help to constrain key atmospheric variables in this poorly sampled region of the atmosphere.

meteoric flux↗

TESS and HARPS reveal two sub-Neptunes around TOI 1062

The Transiting Exoplanet Survey Satellite (TESS) mission was designed to perform an all-sky search of planets around bright and nearby stars. Here we report the discovery of two sub-Neptunes orbiting around TOI 1062 (TIC 299799658), a V = 10.25 G9V star observed in the TESS Sectors 1, 13, 27, and 28. We use precise radial velocity observations from HARPS to confirm and characterize these two planets. TOI 1062b has a radius of 2.265(-0.091,+0.096) Rꚛ, a mass of 10.15 ± 0.8 Mꚛ, and an orbital period of 4.1130 ± 0.0015 days. The second planet is not transiting, has a minimum mass of 9.78(−1.18,+1.26) Mꚛ and is near the 2:1 mean motion resonance with the innermost planet with an orbital period of 7.972(−0.024,+0.018) days. We performed a dynamical analysis to explore the proximity of the system to this resonance, and to attempt further constraining the orbital parameters. The transiting planet has a mean density of 4.85(−0.74,+0.84) g/cu. cm and an analysis of its internal structure reveals that it is expected to have a small volatile envelope accounting for 0.35% of the mass at most. The star’s brightness and the proximity of the inner planet to what is know as the radius gap make it an interesting candidate for transmission spectroscopy, which could further constrain the composition and internal structure of TOI 1062b.

J. F. Otegi↗

Gravity Science With the Uranus Orbiter

The Cassini and Juno missions have considerably expanded our understanding of Saturn, Jupiter, and their moons. The spacecraft radio tracking data acquired by the NASA Deep Space Network (DSN) have enabled the accurate measurement of gravitational perturbations of these planetary bodies on the spacecraft trajectory. The inferred static zonal gravity fields have been key in understanding the interior structure and dynamics within Jupiter and Saturn. Repeated flybys of moons such as Titan and Enceladus can also constrain their interior properties, putting constraints on their formation and evolution, and potential habitability. The exploration of the Uranus system by NASA’s future flagship mission (Uranus Orbiter and Probe, UOP) holds the promise of making similar gains for Uranus and its moons. Here we address the gravity science that may be possible with UOP.

Erwan Mazarico↗

Large Primtive Asteroids: Thermal and Dynamical Context

Primitiveasteroids, most of which are located in the outer belt and Jupiter’s Trojan clouds, provide information related to the origin and evolution of the solar system and the conditions in which the solar nebula was formed. These asteroids are widely thought to be the origin of the least-altered car-bonaceous chondrite that allow us to put crucial con-straints on the current dynamical and thermal theories of the formation and evolution of the early solar sys-tem. The nature of surface composition of large and low-albedo asteroids, like (1) Ceres, (10) Hygiea and (52) Europa, is still under intense debate and different interpretations have beenput forth to explain the ab-sorption features in these objects (e.g.,[1, 2, 3,4,5,6]). Laboratory and spectroscopic experiments on me-teorites that represent all nine carbonaceous chondrite types also found no spectral matches for these large asteroids (e.g.,[7]). Previous studies of asteroid Ceres (the largest primitive asteroid in the solar system) have been conducted to constrain and estimate its surface composition (e.g., [2, 5]). Using linear mixing,[2]found hydroxide brucite, serpentines, and carbonates, to be consistent with Ceres’ ground-based spectra.[5]estimated the surface composition of Ceres and found evidence of widespread NH3-phyllosilicates across its surface using best-fit solutions to Dawn’s NIR spectra. The presence of NH3-phyllosilicates implies that mate-rial from the outer solar system was incorporated into large primitive asteroids, either during their formation at great heliocentric distance or by incorporation of material transported into the Main Belt region. Here we presentnew largeand primitive asteroidsthat share the same spectral similaritieswith the largest asteroid in the solar system, Ceres.We also present the context of these new observations in terms oftheirthermal and dynamicalevolution.Large Primitive Asteroids: Dynamical and Thermal Context:Orbital Distribution of LargePrimitiveAsteroids: Constraining the mineralogy and surface composition of large primitive asteroids will place crucial con-straints on existing dynamical and thermal theories of the formation of the early solar system. We identified several additional asteroids in the Europa-like group in addition to asteroids Europa, Euphrosyne, and Patien-tia, that wereidentified in [8]using NASA IRTFtele-scope (e.g.,Figure 1). These new asteroids along with the already-observed Ceres-and Europa-like group members are localized in the 2.8 < a < 3.4 AU region and characterized by larger sizes, showing an interest-ing orbital distribution (Figure 2). Ceres-likeand Eu-ropa-like groups, which include the largest asteroids in the solar system, show an interesting orbital distribu-tion. These groups are located in the 2.6 < a < 3.6 AU region that contains the snow-line. The snow-line’s location may have been driftedinwards due to the disk’s cooling and evolution[9,10]. Recent dynamical models[11,12]suggested that a substantial fraction of primitive asteroids originated between or beyond the giant planets (a > 5 AU), where water ice would have been stable, and then implanted in the outer Main Belt region because of the giant planets’ growth.Figure 1. Two asteroids, 94 Aurora and 423 Diotima, showing spectra similar to asteroids (1)Ceres and (52)Europa.Thermal modeling and evolution of primitive aster-oids:Primitive water-rich asteroids are thought to be originally composed of mixtures of anhydrous materi-als and water ice that waslater melted by heating sources such as the decay of 26Al, reacting with anhy-drous materials to form H2O/OH-rich minerals. Calcu-lations of the evolution of the temperature and struc-ture of icy planetesimals were performedusing a 1D finite differences thermal evolution model[13, 14] for 26Al-heated planetesimals. In particular, thermally activated compaction due to hot pressing of bodies with an initially unconsolidated porous structure is included. An ice-rich initial composition that leads to a material dominated by phyllosilicates upon aqueous alteration (with 25 vol% H2O and a rock fraction that contains 85 vol% phyllosilicates and 15 vol% olivine upon aque-ous alteration, similar to CIand CM chondrites) was assumed. Atypical initial porosity of 40%[15] is re-duced following the change of the strain rate that is calculated as Voigt approximation from the strain rates of components[16]. Material properties (thermal con-ductivity, density, heat capacity, etc.) correspond to the composition assumed and are adjusted with tempera-ture and porosity. Melting of the water ice as well as water-rock separation are included[14]. Both short-and long-lived radionuclides are consideredas heat sources. Figure 3 shows the maximum temperature calculated as a function of radius and accretion time. A variety of internal structures is obtained, ranging from primordial (no melting of water ice) over partially melted or partially differentiated (melting of water ice, hydration, formation of a rocky core and water ocean below an undifferentiated layer) to completely differ-entiated ones (rocky core, water mantle, Enceladus-like case). The heating and differentiation of planetesi-mals is determined by the availability of 26Al, i.e., by the accretion time t0 relative to the formation of the calcium-aluminum-rich inclusions (CAIs), such that maximum temperatures and structures vary stronglyfor t0< 6 Myr rel. to CAIs. However, for a later accre-tion only the size of the body determines its maximum tempera-ture and structure due to the nearly constant heating by long-lived radionuclides. Average densities of Ceres-and Europa-like group membersimply high-ly porous interiors and, consequently, relatively late accretion at t0> 3 Myr rel. to CAIs with a maximum temperature of < 600 K (Figure3)

D Takir↗

Structural and dynamic properties of solvated hydroxide and hydronium ions in water from ab initio modeling

Predicting the asymmetric structure and dynamics of solvated hydroxide and hydronium in water from ab initio molecular dynamics (AIMD) has been a challenging task. The difficulty mainly comes from a lack of accurate and efficient exchange–correlation functional in elucidating the amphiphilic nature and the ubiquitous proton transfer behaviors of the two ions. By adopting the strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation functional in AIMD simulations, we systematically examine the amphiphilic properties, the solvation structures, the electronic structures, and the dynamic properties of the two water ions. In particular, we compare these results to those predicted by the PBE0-TS functional, which is an accurate yet computationally more expensive exchange–correlation functional. We demonstrate that the general-purpose SCAN functional provides a reliable choice for describing the two water ions. Specifically, in the SCAN picture of water ions, the appearance of the fourth and fifth hydrogen bonds near hydroxide stabilizes the pot-like shape solvation structure and suppresses the structural diffusion, while the hydronium stably donates three hydrogen bonds to its neighbors. We apply a detailed analysis of the proton transfer mechanism of the two ions and find the two ions exhibit substantially different proton transfer patterns. In conclusion, our AIMD simulations indicate that hydroxide diffuses more slowly than hydronium in water, which is consistent with the experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Global dynamics and thermal structure of Jupiter's atmosphere

Voyager flyby observations have yielded the first detailed maps of wind and temperature fields in the Jupiter atmosphere; these data indicate that Jupiter's zonal currents violate the barotropic instability criterion if they extend only a few scale heights below the cloud tops. Microwave observations at mm and cm wavelengths have probed the atmosphere down to a level of about 7 bars, thereby constraining horizontal and vertical thermal structure in a region of the atmosphere about which little was known. Temporal variations in the temperature field suggest that dynamical processes may be important in the establishment of tropopause structure on short time scales. Ground-based and Voyager observations have also indicated a hemispheric asymmetry in temperature in the upper stratosphere.

Flasar, F. M.↗

Global dynamics and thermal structure of Jupiter's atmosphere

Voyager flyby observations have yielded the first detailed maps of wind and temperature fields in the Jupiter atmosphere; these data indicate that Jupiter's zonal currents violate the barotropic instability criterion if they extend only a few scale heights below the cloud tops. Microwave observations at mm and cm wavelengths have probed the atmosphere down to a level of about 7 bars, thereby constraining horizontal and vertical thermal structure in a region of the atmosphere about which little was known. Temporal variations in the temperature field suggest that dynamical processes may be important in the establishment of tropopause structure on short time scales. Ground-based and Voyager observations have also indicated a hemispheric asymmetry in temperature in the upper stratosphere.

Flasar, F. M.↗

Deep Learning Explicit Differentiable Predictive Control Laws for Buildings

We present a differentiable predictive control (DPC) methodology for learning constrained control laws for unknown nonlinear systems. DPC poses an approximate solution to multiparametric programming problems emerging from explicit nonlinear model predictive control (MPC). Contrary to approximate MPC, DPC does not require supervision by an expert controller. Instead, a system dynamics model is learned from a small dataset of recorded observations of the perturbed system's dynamics and the control law is optimized offline by interaction with the learned system model. The DPC method is based on two sequential steps, i) system identification using a constrained neural state-space model, and ii) optimization of an explicit control law parametrized by another neural network in closed-loop simulation with the identified neural state-space model. The combination of a differentiable closed-loop system and penalty methods for constraint handling of system outputs and inputs allows us to optimize the control law's parameters directly by backpropagating economic MPC loss through the learned system model. By incorporating domain knowledge and leveraging established techniques from optimal control, our method leverages deep neural networks as nonlinear function approximators for system identification and control while avoiding concomitant costs of intractably large datasets, and computationally expensive over-parametrized models. The scalability, data efficiency, and constrained optimal control capability of the proposed DPC method are demonstrated in simulation using a multi-zone building emulator.

Drgona, Jan↗

Constrained non-negative matrix factorization enabling real-time insights of in situ and high-throughput experiments

Non-negative matrix factorization (NMF) is an appealing class of methods for performing unsupervised learning on streaming spectral data, particularly in time-sensitive applications such as in situ characterization of materials. These methods seek to decompose a dataset into a small number of components and weights that can compactly represent the underlying signal while effectively reconstructing the observations with minimal error. However, canonical NMF methods have no underlying requirement that the reconstruction uses components or weights that are representative of the true physical processes. In this work, we demonstrate how constraining a subset of the NMF weights or components as rigid priors, provided as known or assumed values, can provide significant improvement in revealing true underlying phenomena. We present a PyTorch-based method for efficiently applying constrained NMF and demonstrate its application to several synthetic examples. Our implementation allows an expert researcher-in-the-loop to provide and dynamically adjust the constraints during a live experiment involving streaming spectral data. Such interactive priors allow researchers to specify known or identified independent components, as well as functional expectations about the mixing or transitions between the components. We further demonstrate the application of this method to measured synchrotron x-ray total scattering data from in situ beamline experiments. In such a context, constrained NMF can result in a more interpretive and scientifically relevant decomposition than canonical NMF or other decomposition techniques. As a result, the details of the method are provided, along with general guidance for employing constrained NMF in the extraction of critical information and insights during time-sensitive experimental applications.

36 MATERIALS SCIENCE↗