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At least 1,387 records · Page 77

Reaction rates for reaction-diffusion kinetics on unstructured meshes

The reaction-diffusion master equation is a stochastic model often utilized in the study of biochemical reaction networks in living cells. It is applied when the spatial distribution of molecules is important to the dynamics of the system. A viable approach to resolve the complex geometry of cells accurately is to discretize space with an unstructured mesh. Diffusion is modeled as discrete jumps between nodes on the mesh, and the diffusion jump rates can be obtained through a discretization of the diffusion equation on the mesh. Reactions can occur when molecules occupy the same voxel. Here in this paper, we develop a method for computing accurate reaction rates between molecules occupying the same voxel in an unstructured mesh. For large voxels, these rates are known to be well approximated by the reaction rates derived by Collins and Kimball, but as the mesh is refined, no analytical expression for the rates exists. We reduce the problem of computing accurate reaction rates to a pure preprocessing step, depending only on the mesh and not on the model parameters, and we devise an efficient numerical scheme to estimate them to high accuracy. We show in several numerical examples that as we refine the mesh, the results obtained with the reaction-diffusion master equation approach those of a more fine-grained Smoluchowski particle-tracking model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Global Data-Driven Determination of Baryon Transition Form Factors

Hadronic resonances emerge from strong interactions encoding the dynamics of quarks and gluons. The structure of these resonances can be probed by virtual photons parametrized in transition form factors. Here, in this study, twelve N* and Δ transition form factors at the pole are extracted from data with the center-of-mass energy from πN threshold to 1.8 GeV, and the photon virtuality 0 ≤ Q 2 /GeV 2 ≤ 8. For the first time, these results are determined from a simultaneous analysis of more than one state, i.e., ~10 5 π⁢N, η⁢N, and K⁢Λ electroproduction data. In addition, about 5×10 4 data in the hadronic sector as well as photoproduction serve as boundary conditions. For the Δ⁡(1232) and N⁡(1440) states our results are in qualitative agreement with previous studies, while the transition form factors at the poles of some higher excited states are estimated for the first time. Realistic uncertainties are determined by further exploring the parameter space.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Attitude determination using an adaptive multiple model filtering Scheme

Attitude determination has been considered as a permanent topic of active research and perhaps remaining as a forever-lasting interest for spacecraft system designers. Its role is to provide a reference for controls such as pointing the directional antennas or solar panels, stabilizing the spacecraft or maneuvering the spacecraft to a new orbit. Least Square Estimation (LSE) technique was utilized to provide attitude determination for the Nimbus 6 and G. Despite its poor performance (estimation accuracy consideration), LSE was considered as an effective and practical approach to meet the urgent need and requirement back in the 70's. One reason for this poor performance associated with the LSE scheme is the lack of dynamic filtering or 'compensation'. In other words, the scheme is based totally on the measurements and no attempts were made to model the dynamic equations of motion of the spacecraft. We propose an adaptive filtering approach which employs a bank of Kalman filters to perform robust attitude estimation. The proposed approach, whose architecture is depicted, is essentially based on the latest proof on the interactive multiple model design framework to handle the unknown of the system noise characteristics or statistics. The concept fundamentally employs a bank of Kalman filter or submodel, instead of using fixed values for the system noise statistics for each submodel (per operating condition) as the traditional multiple model approach does, we use an on-line dynamic system noise identifier to 'identify' the system noise level (statistics) and update the filter noise statistics using 'live' information from the sensor model. The advanced noise identifier, whose architecture is also shown, is implemented using an advanced system identifier. To insure the robust performance for the proposed advanced system identifier, it is also further reinforced by a learning system which is implemented (in the outer loop) using neural networks to identify other unknown quantities such as spacecraft dynamics parameters, gyro biases, dynamic disturbances, or environment variations.

Lam, Quang↗

Static and Dynamic Contributions to the Splitting of the Eu{sup 2+} Ground State in SrMoO{sub 4}

The EPR spectrum of an Eu{sup 2+} impurity center in a SrMoO{sub 4} single crystal in the temperature range T = 1.8, 111–300 K has been studied, and the temperature changes in the spin Hamiltonian parameters describing the EPR spectrum of odd europium isotopes have been determined. It is shown that small temperature changes in the diagonal parameters of the spin Hamiltonian (for odd Eu{sup 2+} isotopes) b{sub 2}{sup 0}(T) = b{sub 2}(F) + b{sub 2}(L) and P{sub 2}{sup 0}(T) = P{sub 2}(F) + P{sub 2}(L) are explained by the compensation of spin–phonon contributions b{sub 2}(F) and P{sub 2}(F) by the contributions of the lattice thermal expansion b{sub 2}(L) and P{sub 2}(L). The quantities b{sub 2}(L) and P{sub 2}(L) that are dependent on the static lattice parameters at a given temperature, are estimated in terms of the superposition Newman model. Then, the spin–phonon b{sub 2}(F) and P{sub 2}(F) contributions determined by the lattice ion vibrations are separated. An analysis shows that b{sub 2}{sup 0}(F) and P{sub 2}{sup 0}(F) > 0, b{sub 2}(L) and P{sub 2}(L) < 0, and the temperature behavior of the spin–phonon contribution is well described by G. Pfister’s model of local vibrations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

On the estimation algorithm for adaptive performance optimization of turbofan engines

The performance seeking control (PSC) algorithm is designed to continuously optimize the performance of propulsion systems. The PSC algorithm uses a nominal propulsion system model and estimates, in flight, the engine deviation parameters (EDPs) characterizing the engine deviations with respect to nominal conditions. In practice, because of measurement biases and/or model uncertainties, the estimated EDPs may not reflect the engine's actual off-nominal condition. This factor has a direct impact on the PSC scheme exacerbated by the open-loop character of the algorithm. In this paper, the effects produced by unknown measurement biases over the estimation algorithm are evaluated. This evaluation allows for identification of the most critical measurements for application of the PSC algorithm to an F100 engine. An equivalence relation between the biases and EDPs stems from the analysis; therefore, it is undecided whether the estimated EDPs represent the actual engine deviation or whether they simply reflect the measurement biases. A new algorithm, based on the engine's (steady-state) optimization model, is proposed and tested with flight data. When compared with previous Kalman filter schemes, based on local engine dynamic models, the new algorithm is easier to design and tune and it reduces the computational burden of the onboard computer.

Espana, Martin D.↗

Surface Time-Variable Gravity Signals and Possible Sources Including Core Mass Flow

Over two decades of geodetic satellite-laser-ranging (SLR) data show that the variation of the Earth's oblateness parameter J2 has a clear seasonal signal of amplitude of about 3e-10 and a secular decrease of about -2.8e-11/year, superimposed on some interesting interannual fluctuations. Physically, any change in mass distribution or/inside the Earth will be reflected in the time-variable gravity signal obtained outside the Earth, according to Newton s gravitational law. Therefore, such signal contains contributions from all geophysical sources that redistribute mass, on all temporal and spatial scales, including those from the core. Besides Earth rotation and geomagnetic field variations, the time-variable gravity also contains information linking Earth surface observations with internal core dynamical processes. The time scales of the gravity signal are critical in helping differentiate different contributions. The atmosphere and hydrosphere are responsible for the seasonal and much of the interannual and intraseasoanl fluctuations, while the secular trend is due mainly to the post-glacial rebound but possibly core mass flow. To estimate the latter effect, we use our MoSST (Modular, Scalable, Self-consistent, Three-dimensional) core dynamics model to forward simulate the core flow, and density variation due to the core convection. Our results suggest that, when upward continued to the surface, the J2 component of the core mass redistribution can reach an overall amplitude of e-11/year, approaching the SLR detectability and significant in geophysical terms. We also find a general westward drift of the mass flow, with a speed comparable to that of the geomagnetic westward drift.

Chao, Benjamin F.↗

Cutting out the middleman: calibrating and validating a dynamic vegetation model (ED2-PROSPECT5) using remotely sensed surface reflectance

Canopy radiative transfer is the primary mechanism by which models relate vegetation composition and state to the surface energy balance, which is important to light- and temperature-sensitive plant processes as well as understanding land–atmosphere feedbacks. In addition, certain parameters (e.g., specific leaf area, SLA) that have an outsized influence on vegetation model behavior can be constrained by observations of shortwave reflectance, thus reducing model predictive uncertainty. Importantly, calibrating against radiative transfer outputs allows models to directly use remote sensing reflectance products without relying on highly derived products (such as MODIS leaf area index) whose assumptions may be incompatible with the target vegetation model and whose uncertainties are usually not well quantified. Here, we created the EDR model by coupling the two-stream representation of canopy radiative transfer in the Ecosystem Demography model version 2 (ED2) with a leaf radiative transfer model (PROSPECT-5) and a simple soil reflectance model to predict full-range, high-spectral-resolution surface reflectance that is dependent on the underlying ED2 model state. We then calibrated this model against estimates of hemispherical reflectance (corrected for directional effects) from the NASA Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) and survey data from 54 temperate forest plots in the northeastern United States. The calibration significantly reduced uncertainty in model parameters related to leaf biochemistry and morphology and canopy structure for five plant functional types.

54 ENVIRONMENTAL SCIENCES↗

Optimization of hot workability and microstructure control in a 12Cr-10Ni precipitation hardenable stainless steel: An approach using processing maps

Highlights: • Deformation processing map was developed for a 12Cr10Ni precipitation hardenable martensitic stainless steel and optimized hot working parameters were suggested to obtain defect free products. • The ‘stable’ domain of the processing maps were correlated to the dynamic recrystallization in the austenite phase and further confirmed by detailed microstructural investigations. • The DRx domain showed a refinement of the martensite packet size and of the prior transformation austenite grain size, essential to obtain the desired mechanical properties. - Abstract: Optimization of hot working parameters and corresponding microstructure control were explored in a 12Cr-10Ni precipitation hardenable martensitic stainless steel. From hot compression tests, 1073–1373 K (800°–1100 °C) and five (0.001–10 s{sup −1}) different strain rates, processing maps were developed, and various domains of microstructure evolution (in the austenite phase) were identified. The stable domain of the processing maps appeared to indicate dynamic recrystallization (DRx) in the austenite phase: as evident by the appearance of inflection point in the strain hardening rate versus flow stress plots. The suspected DRx domain was further confirmed by detailed microstructural investigations of the respective water-quenched specimens. The DRx domain showed a refinement of the martensite packet size and of the prior transformation austenite grain size. The later was shown with optical microstructure and reconstructed (modelled) microtexture data of the prior austenite grains. Additionally, the DRx domain showed a significant difference in activation energy as estimated from appropriate constitutive modelling.

36 MATERIALS SCIENCE↗

A reconsideration of the effects of terminator ionopause height on the nightward ion transport at Venus

The ionopause altitude near the terminator is a crucial parameter for studies dealing with the maintenance of the nightside ionosphere of Venus. It is generally thought that, during high solar wind dynamic pressures (P(SW)) or during solar minimum conditions, the ionopause comes down to very low altitudes so that the dayside ionosphere is not able to supply sufficient plasma to maintain the observed nightside densities. However, there are a number of workable definitions of the ionopause. Near the terminator, the altitude of the ionopause differs considerably depending upon the definition. The ionopause deduced from the radio occultation experiment as well as the pressure ionopause can be significantly lower than the density ionopause deduced from the Langmuir probe at these locations. The latter refers to the altitude where the electron density falls to 100/cu cm. Using in situ data from the Pioneer Venus Orbiter, it is shown that the density ionopause remains fairly high even for high P(SW) conditions. Simple quantitative estimates indicate that significant flow of plasma is still possible under these conditions. Thus, nightward transport of plasma during high P(SW) conditions may be more efficient than has been assumed so far. Since such conditions are more prevalent during solar cycle minimum, it is argued that transport may be relevant in the maintenance of nightside ionosphere at that time also.

Kar, J.↗

Global Evolution of Solar Magnetic Fields and Prediction of Solar Activity Cycles

Prediction of solar activity cycles is challenging because the physical processes inside the Sun involve a broad range of multiscale dynamics that no model can reproduce, and the available observations are highly limited and cover mostly surface layers. Helioseismology makes it possible to probe solar dynamics in the convective zone, but variations in the differential rotation and meridional circulation are currently available for only two solar activity cycles. It has been demonstrated that sunspot observations, which cover over 400 years, can be used to calibrate the Parker-Kleeorin-Ruzmaikin model and that the Ensemble Kalman Filter (EnKF) method can be used to link the model magnetic fields to sunspot observations to make reliable predictions of a following cycle. However, for more accurate predictions, it is necessary to use actual observations of the solar magnetic fields, which are available for only four solar cycles. This raises the question of how limitations in observational data and model uncertainties affect predictive capabilities and implies the need for the development of new forecast methodologies and validation criteria. In this presentation, I will discuss the influence of the limited number of available observations on the accuracy of EnKF estimates of solar cycle parameters.

Kitiashvili, Irina N.↗

Thermodynamic and Kinetic Modeling of Co-utilization of Glucose and Xylose for 2,3-BDO Production by Zymomonas mobilis

Prior engineering of the ethanologen Zymomonas mobilis has enabled it to metabolize xylose and to produce 2,3-butanediol (2,3-BDO) as a dominant fermentation product. When co-fermenting with xylose, glucose is preferentially utilized, even though xylose metabolism generates ATP more efficiently during 2,3-BDO production on a BDO-mol basis. To gain a deeper understanding of Z. mobilis metabolism, we first estimated the kinetic parameters of the glucose facilitator protein of Z. mobilis by fitting a kinetic uptake model, which shows that the maximum transport capacity of glucose is seven times higher than that of xylose, and glucose is six times more affinitive to the transporter than xylose. With these estimated kinetic parameters, we further compared the thermodynamic driving force and enzyme protein cost of glucose and xylose metabolism. It is found that, although 20% more ATP can be yielded stoichiometrically during xylose utilization, glucose metabolism is thermodynamically more favorable with 6% greater cumulative Gibbs free energy change, more economical with 37% less enzyme cost required at the initial stage and sustains the advantage of the thermodynamic driving force and protein cost through the fermentation process until glucose is exhausted. Glucose-6-phosphate dehydrogenase (g6pdh), glyceraldehyde-3-phosphate dehydrogenase (gapdh) and phosphoglycerate mutase (pgm) are identified as thermodynamic bottlenecks in glucose utilization pathway, as well as two more enzymes of xylose isomerase and ribulose-5-phosphate epimerase in xylose metabolism. Acetolactate synthase is found as potential engineering target for optimized protein cost supporting unit metabolic flux. Pathway analysis was then extended to the core stoichiometric matrix of Z. mobilis metabolism. Growth was simulated by dynamic flux balance analysis and the model was validated showing good agreement with experimental data. Dynamic FBA simulations suggest that a high agitation is preferable to increase 2,3-BDO productivity while a moderate agitation will benefit the 2,3-BDO titer. Taken together, this work provides thermodynamic and kinetic insights of Z. mobilis metabolism on dual substrates, and guidance of bioengineering efforts to increase hydrocarbon fuel production.

23-butanediol↗

Probabilistic system identification in the time domain

The objective of system identification is to determine reliable dynamical models of a structure by systematically using its measured excitation and response. It brings together in an integrated fashion, experimental, analytical, and computational techniques in structural dynamics. Areas of application for system identification include the following: (1) Model Evaluation--assessing assumptions (linearity and equivalent viscous damping) and techniques (finite-element modeling) used to construct theoretical models of a structure; (2) Model Improvement--updating of a theoretical model to enable more accurate response predictions for possible future loads on the structure, or for control of the structure; (3) Empirical Modelling--developing empirical relationships (nonlinear models) or empirical parameter values (modal damping) because the present state of the art does not provide theoretical results; and (4) Damage Detection and Assessment--continual or episodic updating of a structural model through vibration monitoring to detect and locate any structural damage. It can be argued that since the construction or modification of models using test data is subject to inherent uncertainties, the above problems should be properly treated within a Bayesian probabilistic framework. Such a methodology is presented which allows the precision of the estimates of the model parameters to be computed. It also leads to a guiding principle in applications. Namely, when selecting a single model from a given class of models, one should take the most probable model in the class based on the experimental data. Practical applications of this principle are given which are based on the utilization of measured seismic motions in large civil structures. Examples include the application of a computer program MODE-ID to identify modal properties directly from seismic excitation and response time histories from a nine-story steel-frame building at JPL and from a freeway overpass bridge.

Beck, James L.↗

Computational control of flexible aerospace systems

The main objective of this project is to establish a distributed parameter modeling technique for structural analysis, parameter estimation, vibration suppression and control synthesis of large flexible aerospace structures. This report concentrates on the research outputs produced in the last two years. The main accomplishments can be summarized as follows. A new version of the PDEMOD Code had been completed based on several incomplete versions. The verification of the code had been conducted by comparing the results with those examples for which the exact theoretical solutions can be obtained. The theoretical background of the package and the verification examples has been reported in a technical paper submitted to the Joint Applied Mechanics & Material Conference, ASME. A brief USER'S MANUAL had been compiled, which includes three parts: (1) Input data preparation; (2) Explanation of the Subroutines; and (3) Specification of control variables. Meanwhile, a theoretical investigation of the NASA MSFC two-dimensional ground-based manipulator facility by using distributed parameter modeling technique has been conducted. A new mathematical treatment for dynamic analysis and control of large flexible manipulator systems has been conceived, which may provide an embryonic form of a more sophisticated mathematical model for future modified versions of the PDEMOD Codes.

Sharpe, Lonnie, Jr.↗

Quantum solver for single-impurity Anderson models with particle-hole symmetry

Quantum embedding methods, such as dynamical mean-field theory (DMFT), provide a powerful framework for investigating strongly correlated materials. A central computational bottleneck in DMFT is in solving the Anderson impurity model (AIM), whose exact solution is classically intractable for large bath sizes. In this work, we benchmark a quantum-classical hybrid solver tailored for particle-hole symmetric AIMs, using the variational quantum eigensolver to prepare the ground state of the model with shallow quantum circuits. The solver uses shallow quantum ansätze and one set of variational parameters to prepare the ground state and its particle and hole excitations, enabling the construction of the impurity Green’s function through a continued-fraction expansion. We evaluate the performance of this approach across a few bath sizes and interaction strengths under noisy, shot-limited conditions. We compare three optimization routines (COBYLA, Adam, and L-BFGS-B) in terms of convergence and fidelity, assess the benefits of estimating a quantum-computed moment correction to the variational energies, and benchmark the approach by comparing the density of states computed from the impurity Green’s function against that obtained using a classical pipeline. Our results demonstrate the feasibility of Green’s function construction on near-term devices and establish practical benchmarks for quantum impurity solvers embedded within self-consistent DMFT loops.

Karabin, Mariia [ORNL]↗

Recent advances in radar remote sensing of forest

On a global scale, forests represent most of the terrestrial standing biomass (80 to 90 percent). Thus, natural and anthropogenic change in forest covers can have major impacts not only on local ecosystems but also on global hydrologic, climatic, and biogeochemical cycles that involve exchange of energy, water, carbon, and other elements between the earth and atmosphere. Quantitative information on the state and dynamics of forest ecosystems and their interactions with the global cycles appear necessary to understand how the earth works as a natural system. The information required includes the lateral and vertical distribution of forest cover, the estimates of standing biomass (woody and foliar volume), the phenological and environmental variations and disturbances (clearcutting, fires, flood), and the longer term variations following deforestation (regeneration, successional stages). To this end, seasonal, annual, and decadal information is necessary in order to separate the long term effects in the global ecosystem from short term seasonal and interannual variations. Optical remote sensing has been used until now to study the forest cover at local, regional, and global scales. Radar remote sensing, which provides recent SAR data from space on a regular basis, represents an unique means of consistently monitoring different time scales, at all latitudes and in any atmospheric conditions. Also, SAR data have shown the potential to detect several forest parameters that cannot be inferred from optical data. The differences--and complementarity--lie in the penetration capabilities of SAR data and their sensitivity to dielectric and geometric properties of the canopy volume, whereas optical data are sensitive to the chemical composition of the external foliar layer of the vegetation canopy.

Letoan, Thuy↗

Dynamic Simulation of a Periodic 10 K Sorption Cryocooler

A transient thermal simulation model has been developed to simulate the dynamic performance of a multiple-stage 10 K sorption cryocooler for spacecraft sensor cooling applications that require periodic quick-cooldown (under 2 minutes) , negligible vibration, low power consumption, and long life (5 to 10 years). The model was specifically designed to represent the Brilliant Eyes Ten-Kelvin Sorption Cryocooler Experiment (BETSCE), but it can be adapted to represent other sorption cryocooler systems as well. The model simulates the heat transfer, mass transfer, and thermodynamic processes in the cryostat and the sorbent beds for the entire refrigeration cycle, and includes the transient effects of variable hydrogen supply pressures due to expansion and overflow of hydrogen during the cooldown operation. The paper describes model limitations and simplifying assumptions, with estimates of errors induced by them, and presents comparisons of performance predictions with ground experiments. An important benefit of the model is its ability to predict performance sensitivities to variations of key design and operational parameters. The insights thus obtained are expected to lead to higher efficiencies and lower weights for future designs.

cryocooler design performance sorption simulation ↗

Coronal Magnetic Field Measurement from EUV Images Made by the Solar Dynamics Observatory

By measuring the geometrical properties of the coronal mass ejection (CME) flux rope and the leading shock observed on 2010 June 13 by the Solar Dynamics Observatory (SDO) mission's Atmospheric Imaging Assembly we determine the Alfven speed and the magnetic field strength in the inner corona at a heliocentric distance of approx. 1.4 Rs The basic measurements are the shock standoff distance (Delta R) ahead of the CME flux rope, the radius of curvature of the flux rope (R(sub c)), and the shock speed. We first derive the Alfvenic Mach number (M) using the relationship, Delta R/R(sub c) = 0.81[(gamma−1) M(exp 2) + 2] / [(gamma +1)(M2 − 1)], where gamma is the only parameter that needed to be assumed. For gamma = 4/3, the Mach number declined from 3.7 to 1.5 indicating shock weakening within the field of view of the imager. The shock formation coincided with the appearance of a type II radio burst at a frequency of approx. 300 MHz (harmonic component), providing an independent confirmation of the shock. The shock compression ratio derived from the radio dynamic spectrum was found to be consistent with that derived from the theory of fast-mode MHD shocks. From the measured shock speed and the derived Mach number, we found the Alfven speed to increase from approx 140 km/s to 460 km/s over the distance range 1.2-1.5 Rs. By deriving the upstream plasma density from the emission frequency of the associated type II radio burst, we determined the coronal magnetic field to be in the range 1.3-1.5 G. The derived magnetic field values are consistent with other estimates in a similar distance range. This work demonstrates that the EUV imagers, in the presence of radio dynamic spectra, can be used as coronal magnetometers

magnetic fields↗

Testing of Mars Retropropulsion Concepts in the Langley Unitary Plan Wind Tunnel

Future Mars human lander missions will require using retrorockets beginning at supersonic conditions, something which has never been done before at Mars. Significant aerosciences challenges exist due to interactions between the retrorocket exhaust plumes, the freestream flow, and the vehicle that alter the aerodynamic behavior. Historical retropropulsion ground and flight data do not provide a basis for calibrating the computational uncertainties for aerodynamic interference forces and moments on proposed Mars descent vehicles, either because of insufficient data or dissimilar vehicles geometries and/or conditions. A new retropropulsion wind tunnel test was conducted in the NASA Langley Unitary Plan Wind Tunnel in order to address some of the deficiencies of previous tests and to provide a basis for computational model comparisons on relevant geometries. The test included improvements in model design and measured data. Two sub-scale model geometries derived from full-scale vehicle concepts were tested: a blunt low lift-to-drag vehicle and a more slender geometry. The first model includes variations in nozzle parameters that were estimated to have first-order effects on the measurements: location, pointing direction, size, and exit-to-throat area ratio. Both models were instrumented with discrete steady and unsteady pressure sensors on the aerodynamic and interior flow path surfaces. The heats shields of both models also were covered with pressure sensitive paint that effectively measures a steady pressure distribution in an otherwise unsteady flow field. This pressure distribution was integrated over the surface geometry in order to estimate the steady aerodynamic force and moment coefficient contribution from the painted surfaces; this approach was used as a replacement for using a flow-through balance. This paper will cover the test objectives, model design, test matrix, and available test results for each model configuration at different freestream Mach numbers, model attitude, and non-dimensional thrust magnitude. A subsequent publication will cover uncertainty quantification of the test data and comparisons to computational fluid dynamics model results.

Powered Descent↗