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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,567 records · Page 87

Mining Large Heterogeneous Graphs using Cray s Urika

Pattern discovery and predictive modeling from seemingly related Big Data represented as massive, ad-hoc, heterogeneous networks (e.g., extremely large graphs with complex, possibly unknown structure) is an outstanding problem in many application domains. To address this problem, we are designing graph-mining algorithms capable of discovering relationship-patterns from such data and using those discovered patterns as features for classification and predictive modeling. Specifically, we are: (i) exploring statistical properties, mechanics and generative models of behavior patterns in heterogeneous information networks, (ii) developing novel, automated and scalable graph-pattern discovery algorithms and (iii) applying our relationship-analytics (data science + network science) expertise to domains spanning healthcare to homeland security.

fraud detection↗

Co-dependent microstructural evolution pathways in metastable d-ferrite in cast austenitic stainless steels during thermal aging

Cast austenitic stainless steels (CASS) are excellent alloys because they combine high corrosion resistance with high strength and toughness. However, they are susceptible to embrittlement upon long-term thermal aging at elevated temperatures. Thus, the microstructural evolution pathways during thermal aging need to be understood to predict and potentially prevent embrittlement. Atom probe tomography was used to identify and quantify the microstructural evolution pathways of the d-ferrite in different CASS alloys aged for up to 10,000 hours at temperatures between 290 °C and 400 °C. The four steels – CF8, CF8M, CF3, and CF3M – which vary by Mo and C concentration, each experienced spinodal decomposition of the d-ferrite, and precipitation of G-phase clusters and Cu clusters attached to the G-phase. There were large differences in the extent of these features due to their Mo and C concentration. Using radial distribution function analysis, the interactions of constituent elements was found to determine the evolution of these features, with Mo and C specifically influencing the movement of Cr, Ni, Si, Mn, and Cu atoms due to their relative miscibility with these elements. The results will help inform predictive models for the use of duplex stainless steels for extended operation at high temperatures.

Duplex stainless steel, Aging, Spinodal decomposit↗

Deep vadose zone remediation: technical and policy challenges, opportunities, and progress in achieving cleanup endpoints

Current requirements for site remediation and closure are standards-based and are often overly conservative, costly, and in some cases, technically impractical. Use of risk-informed alternate endpoints provides a means to achieve remediation goals that are permitted by regulations and are protective of human health and the environment. Alternate endpoints enable the establishment of a path for cleanup that may include intermediate remedial milestones and transition points and/or regulatory alternatives to standards-based remediation. A framework is presented that is centered around developing and refining conceptual models in conjunction with assessing risks and potential endpoints as part of a system-based assessment that integrates site data with scientific understanding of processes that control the distribution and transport of contaminants in the subsurface and pathways to receptors. This system-based assessment and subsequent implementation of the remediation strategy with appropriate monitoring are targeted at providing a holistic approach to addressing risks to human health and the environment. This holistic approach also enables effective predictive analysis of contaminant behavior to provide defensible criteria and data for making long-term decisions. Developing and implementing an alternate endpoint-based approach for remediation and waste site closure presents a number of challenges and opportunities. Categories of these challenges include scientific and technical, regulatory, institutional, and budget and resource allocation issues. Opportunities exist for developing and implementing systems-based approaches with respect to supportive characterization, monitoring, predictive modeling, and remediation approaches. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Muon g−2 and Galactic Centre γ-ray excess in a scalar extension of the 2HDM type-X

We consider an extension of the lepto-specific 2HDM with an extra singlet S as a dark matter candidate. Taking into account theoretical and experimental constraints, we investigate the possibility to address both the γ-ray excess detected at the Galactic Centre and the discrepancy between the Standard Model prediction and experimental results of the anomalous magnetic moment of the muon. Our analyses reveal that the SS→τ{sup +}τ{sup −} and SS→bb-bar channels reproduce the Galactic Centre excess, with an emerging dark matter candidate which complies with the bounds from direct detection experiments, measurements of the Higgs boson invisible decay width and observations of the dark matter relic abundance. Addressing the anomalous magnetic moment of the muon imposes further strong constraints on the model. Remarkably, under these conditions, the SS→bb-bar channel still allows for the fitting of the Galactic Centre. We also comment on a scenario allowed by the model where the SS→τ{sup +}τ{sup −} and SS→bb-bar channels have comparable branching ratios, which possibly yield an improved fitting of the Galactic Centre excess.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Machine learning-aided line intensity ratio technique applied to deuterium plasmas

It has been demonstrated that the electron density, n e , and temperature, T e , are successfully evaluated from He I line intensity ratios coupled with machine learning (ML). In this paper, the ML-aided line intensity ratio technique is applied to deuterium (D) plasmas with 0.031 < n e (10 18 m –3 ) < 0.67 and 2.3 < T e (eV) < 5.1 in the PISCES-A linear plasma device. Two line intensity ratios, D α /D γ and D α /D β , are used to develop a predictive model for n e and T e separately. Reasonable agreement of both ne and Te with those from single Langmuir probe measurements is obtained at n e > 0.1 × 10 18 m –3 . Addition of the D 2 /D α intensity ratio, where the D 2 band emission intensity is integrated in a wavelength range of λ ~ 557.4–643.0 nm, is found to improve the prediction of, in particular, n e , and T e . It is also confirmed that the technique works for D plasmas with 0.067 < n e (10 18 m –3 ) < 6.1 and 0.8 < T e (eV) < 15 in another linear plasma device, PISCES-RF. The two training datasets from PISCES-A and PISCES-RF are combined, and unified predictive models for n e and T e give reasonable agreement with probe measurements in both devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Boundary-Layer Model to Predict Chemically Reacting Flow within Heated, High-Speed, Microtubular Reactors

Chen nozzle experiments are used to study the early–stage unimolecular decomposition of larger molecules and, sometimes, the following chemistry. The nozzle itself is typically a small–diameter (order millimeter), short (order 20–50 mm), heated (order 1700 K) tube (nozzle) that exhausts into a vacuum chamber where a variety of diagnostics may be used to measure gas–phase composition. Under typical operating conditions, the velocities are high and the exhaust flow is near sonic. Quantitatively interpreting the measurements requires a model for flow within the nozzle that is coupled with reaction kinetics simulations. The present model shows that the flow can produce significant radial and axial variations in both the thermodynamic conditions and species concentrations. Thus, plug–flow models may not be appropriate. Results show that using He as a carrier gas produces much more plug–like flow than is the case with Ar as the carrier gas. As a result, the boundary–layer model provides a computationally efficient approach to modeling detailed chemical kinetics within Chen nozzles. Results are illustrated using acetaldehyde decomposition kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

MERGERS AND STAR FORMATION: THE ENVIRONMENT AND STELLAR MASS GROWTH OF THE PROGENITORS OF ULTRA-MASSIVE GALAXIES SINCE Z = 2

The growth of galaxies is a key problem in understanding the structure and evolution of the universe. Galaxies grow their stellar mass by a combination of star formation and mergers, with a relative importance that is redshift dependent. Theoretical models predict quantitatively different contributions from the two channels; measuring these from the data is a crucial constraint. Exploiting the UltraVISTA catalog and a unique sample of progenitors of local ultra-massive galaxies selected with an abundance matching approach, we quantify the role of the two mechanisms from z = 2 to 0. We also compare our results to two independent incarnations of semi-analytic models. At all redshifts, progenitors are found in a variety of environments, ranging from being isolated to having 5–10 companions with mass ratio at least 1:10 within a projected radius of 500 kpc. In models, progenitors have a systematically larger number of companions, entailing a larger mass growth for mergers than in observations, at all redshifts. Generally, in both observations and models, the inferred and the expected mass growth roughly agree, within the uncertainties. Overall, our analysis confirms the model predictions, showing how the growth history of massive galaxies is dominated by in situ star formation at z ∼ 2, both star formation and mergers at 1 < z < 2, and by mergers alone at z < 1. Nonetheless, detailed comparisons still point out tensions between the expected mass growth and our results, which might be due to either an incorrect progenitors-descendants selection, uncertainties on star-formation rate and mass estimates, or the adopted assumptions on merger rates.

79 ASTRONOMY AND ASTROPHYSICS↗

Late-time Cooling of Neutron Star Transients and the Physics of the Inner Crust

An accretion outburst onto a neutron star transient heats the neutron star’s crust out of thermal equilibrium with the core. After the outburst, the crust thermally relaxes toward equilibrium with the neutron star core, and the surface thermal emission powers the quiescent X-ray light curve. Crust cooling models predict that thermal equilibrium of the crust will be established ≈1000 days into quiescence. Recent observations of the cooling neutron star transient MXB 1659-29, however, suggest that the crust did not reach thermal equilibrium with the core on the predicted timescale and continued to cool after ≈2500 days into quiescence. Because the quiescent light curve reveals successively deeper layers of the crust, the observed late-time cooling of MXB 1659-29 depends on the thermal transport in the inner crust. In particular, the observed late-time cooling is consistent with a low thermal conductivity layer near the depth predicted for nuclear pasta that maintains a temperature gradient between the neutron star’s inner crust and core for thousands of days into quiescence. As a result, the temperature near the crust–core boundary remains above the critical temperature for neutron superfluidity, and a layer of normal neutrons forms in the inner crust. We find that the late-time cooling of MXB 1659-29 is consistent with heat release from a normal neutron layer near the crust–core boundary with a long thermal time. We also investigate the effect of inner crust physics on the predicted cooling curves of the accreting transient KS 1731-260 and the magnetar SGR 1627-41.

79 ASTRONOMY AND ASTROPHYSICS↗

The influence of thermochemistry on the reactivity of propane, the pentane isomers and $n$-heptane in the low temperature regime

In this study, the influence of thermochemistry on the reactivity of fuels at low temperatures (600–1000 K) is studied here. Specifically, the effect of different sets of thermochemistry on chemical model predictions is explored, where various sets are calculated at different levels of theory in addition to recently updated group additivity values. Experimentally measured ignition delay times for propane, the pentane isomers and n-heptane are simulated using NUIGMech1.2 and replacing the thermochemistry of the low-temperature species with the calculated values. For propane, three different thermochemistry sets were calculated, namely CCSD(T)-F12/TZ-F12//B2PLYP-D3/TZ//B2PLYP-D3/TZ (QM1), CCSD(T)-F12/TZ-F12//B2PLYP-D3/TZ//ωB97X-D/TZ (QM2) and B2PLYP-D3/TZ/ωB97X-D/6-31G*//ωB97X-D/6-31G* (QM3). The QM2 results provide parameters to optimize new group additivity (NGA) values which are used to calculate the fourth set of thermochemistry. The model predictions using these four sets are compared to those using NUIGMech1.2 for propane. As the QM1 and QM2 calculations are expensive, the thermochemistry calculated from the QM3 and NGA calculations are used in the pentane isomer and n-heptane models. For all of the models, it is found that the thermochemistry of the species involved in the low-temperature reaction sequence ($RH$, $\dot{R}$, $RO_2H$, $R\dot{O}_2$, $\dot{Q}OOH$ and $\dot{O}_2QOOH$ species) significantly affect fuel reactivity. The NGA values were developed based on all of these species except $\dot{O}_2QOOH$ radicals. The thermochemistry of $\dot{O}_2QOOH$ species cannot be accurately calculated with the NGA representations due to the importance of non-next-nearest neighbor interactions of –OOH substitution. Further development of the NGA method to capture such interactions is in progress. Overall, the model developed using the NGA thermochemistry shows better agreement with experimental data than the model using thermochemistry from affordable and prominent QM methods, such as QM3. Based on the results presented for propane, the pentane isomers and n-heptane, the thermochemistry calculated using the NGA method can be used to model the oxidation of higher order hydrocarbons at low temperatures.

33 ADVANCED PROPULSION SYSTEMS↗

Median bed-material sediment particle size across rivers in the contiguous US

Abstract. Bed-material sediment particle size data, particularly the median sediment particle size (D50), are critical for understanding and modeling riverine sediment transport. However, sediment particle size observations are primarily available at individual sites. Large-scale modeling and assessment of riverine sediment transport are limited by the lack of continuous regional maps of bed-material sediment particle size. We hence present a map of D50 over the contiguous US in a vector format that corresponds to approximately 2.7 million river segments (i.e., flowlines) in the National Hydrography Dataset Plus (NHDPlus) dataset. We develop the map in four steps: (1) collect and process the observed D50 data from 2577 U.S. Geological Survey stations or U.S. Army Corps of Engineers sampling locations; (2) collocate these data with the NHDPlus flowlines based on their geographic locations, resulting in 1691 flowlines with collocated D50 values; (3) develop a predictive model using the eXtreme Gradient Boosting (XGBoost) machine learning method based on the observed D50 data and the corresponding climate, hydrology, geology, and other attributes retrieved from the NHDPlus dataset; and (4) estimate the D50 values for flowlines without observations using the XGBoost predictive model. We expect this map to be useful for various purposes, such as research in large-scale river sediment transport using model- and data-driven approaches, teaching environmental and earth system sciences, planning and managing floodplain zones, etc. The map is available at https://doi.org/10.5281/zenodo.4921987 (Li et al., 2021a).

54 ENVIRONMENTAL SCIENCES↗

On the Low Risk of SSR in Type III Wind Turbines Operating in Grid-Forming Control: Preprint

We have shown in a previous work that the risk of sub-synchronous resonance (SSR) between a wind power plant with Type III wind turbines and series-compensated transmission lines is low when the wind turbines in the plant are operated in grid-forming mode, instead of the standard grid-following mode. The fundamental mechanism behind the improved damping characteristics is explained in this paper by modeling the positive and negative sequence impedances of Type III wind turbines for GFM operation mode. It is discovered that the GFM control naturally acts against the negative resistance of Type III wind turbines that results from an interaction between the proportional gain of the rotor-side converter current controller and negative slip. The developed sequence impedance models and improved damping behavior are verified using PSCAD simulations of a 2.5-MW Type III GFM wind turbine. The modeling predictions are also supported by experimentally measuring the sequence impedance response of a 2.5-MW Type III wind turbine during operation in GFL and GFM modes.

grid-following turbine↗

On the origin of X-ray spectra in luminous blazars

Gamma-ray luminosities of some quasar-associated blazars imply jet powers reaching values comparable to the accretion power even if assuming very strong Doppler boosting and very high efficiency of gamma-ray production. With much lower radiative efficiencies of protons than of electrons, and the recent reports of very strong coupling of electrons with shock-heated protons indicated by particle-in-cell simulations, the leptonic models seem to be strongly favored over the hadronic ones. However, the electron-proton coupling combined with the external-radiation-Compton (ERC) models of gamma-ray production in leptonic models predict extremely hard X-ray spectra, with energy indices α {sub x} ∼ 0. This is inconsistent with the observed 2-10 keV slopes of blazars, which cluster around α {sub x} ∼ 0.6. This problem can be resolved by assuming that electrons can be efficiently cooled down radiatively to non-relativistic energies, or that blazar spectra are entirely dominated by the synchrotron self-Compton (SSC) component up to at least 10 keV. Here, we show that the required cooling can be sufficiently efficient only at distances r < 0.03 pc. SSC spectra, on the other hand, can be produced roughly co-spatially with the observed synchrotron and ERC components, which are most likely located roughly at a parsec scale. We show that the dominant SSC component can also be produced much further than the dominant synchrotron and ERC components, at distances of ≳ 10 pc. Hence, depending on the spatial distribution of the energy dissipation along the jet, one may expect to see γ-ray/optical events with either correlated or uncorrelated X-rays. In all cases the number of e{sup +}e{sup –} pairs per proton is predicted to be very low. The direct verification of the proposed SSC scenario, and particularly the question of the co-spatiality of the SSC component with other spectral components, requires sensitive observations in the hard X-ray band. This is now possible with the deployment of the NuSTAR satellite, providing the required sensitivity to monitor the details of the hard X-ray spectra of blazars in the range where the ERC component is predicted to start dominating over the SSC component.

79 ASTRONOMY AND ASTROPHYSICS↗

Deep Learning-Based Queue-Aware Eco-Approach and Departure System for Plug-In Hybrid Electric Buses at Signalized Intersections: A Simulation Study

Eco-Approach and Departure (EAD) has been considered as a promising eco-driving strategy for vehicles traveling in an urban environment, where information such as signal phase and timing (SPaT) and geometric intersection description is well utilized to guide vehicles passing through intersections in the most energy-efficient manner. Previous studies formulated the optimal trajectory planning problem as finding the shortest path on a graphical model. While this method is effective in terms of energy saving, its computation efficiency can be further enhanced by adopting machine learning techniques. In this paper, we propose an innovative deep learning-based queue-aware eco-approach and departure (DLQ-EAD) system for a plug-in hybrid electric bus (PHEB), which is able to provide an online optimal trajectory for the vehicle considering both the downstream traffic condition (i.e. traffic lights, queues) and the vehicle powertrain efficiency. Based on optimal solutions obtained from the graph-based trajectory planning algorithm (GTPA), a deep neural network (DNN) is developed to learn the optimal vehicle speed for the next time step given its current state. It is demonstrated that the trained DNN can provide energy-efficient trajectories with high computational efficiency and high flexibility adopting to dynamic changes in the surrounding environment. To address the impact of downstream traffic, a queue prediction model is further developed using data from radars and connected vehicles (CVs), as well as signal timing data from SPaT messages. A comprehensive simulation study in the microscopic traffic modeling software PTV VISSIM shows that the proposed DLQ-EAD can achieve 18.7%-24.0% energy efficiency improvements for a single PHEB on various traffic congestion levels. The proposed queue prediction model can be of practical significance even at low penetration rates of CVs. Specifically, additional energy savings of 2.0%-8.2% can be further achieved with 20% vehicles in the network.

Ye, Fei↗

Aging Behavior of the Viton® Fluoroelastomer O-Rings in the 9975 Shipping Package

The 9975 Type B shipping package is used within the DOE complex for shipping special nuclear materials. This package is re-certified annually in accordance with Safety Analysis Report requirements. The package is also used at the Savannah River Site as part of the long-term storage configuration of special nuclear materials. As such, the packages do not undergo annual recertification during storage, with uncertainty as to how long some of the package components will meet their functional requirements in the storage environment. The packages are currently approved for up to 15 years storage, and work continues to provide a technical basis to extend that period. This paper describes efforts by the Savannah River National Laboratory (SRNL) to extend the service life estimate of Viton® GLT and GLT-S fluoroelastomer O-rings used in the 9975 shipping package. O-rings of both compositions are undergoing accelerated aging at elevated temperature, and are periodically tested for compression stress relaxation (CSR) behavior and leak performance. The CSR behavior of O-rings was evaluated at temperatures from 79 °C to 177 °C. These collective data were used to develop predictive models for extrapolation of CSR behavior to relevant service temperatures (< 75 °C). O-rings were also aged in Primary Containment Vessel (PCV) fixtures at temperatures ranging from 79 °C to 232 °C. The fixtures are helium leak tested periodically to determine if they remain leak-tight. The PCV fixture tests demonstrate that the 9975 O-rings will remain leak-tight at temperatures up to 149 °C for 3 years or more, and no leak failures have been observed with up to 8 years aging at 93 °C. Significantly longer periods of leak-tight service are expected at the lower temperatures actually experienced in the storage environment. The predictive model developed from the CSR data conservatively indicates a service life of more than 20 years at the bounding temperature of 75 °C. Although the relationship between CSR behavior and leak-tight performance has not been established for this design, the CSR predictions for this O-ring are conservative relative to leak-tight performance to date.

36 MATERIALS SCIENCE↗

Hybrid Heat Pump Controls: Conventional Dual Fuel versus Seamlessly Fuel Flexible Heat Pump

This paper compares the performance of a novel seamlessly fuel flexible heat pump (SFFHP) and conventional dual fuel heat pump (DFHP) for space heating. The conventional dual fuel systems either run on the gas furnace or electric heat pump at any given moment, as a comparison, the proposed seamlessly fuel flexible heat pump simultaneously consumes gas and electricity by continuously optimizing the proportion of each. The process air flows across the heat pump condenser first and then flows across the furnace coil, therefore, the heat pump temperature lift is reduced. SFFHP delivers energy savings by allowing each subsystem, i.e., gas furnace and electric heat pump, to operate where it performs best.For DFHP, two operation control strategies, i.e., non-restricted control and restricted control, are available on market. For the non-restricted mode, the thermostat has a switching temperature-programmed according to the balancing point of heating load and capacity curve. Heat pump operates above the switching temperature, while the furnace takes over under the switching temperature. For the restricted control, the compressor of a heat pump is disabled below a predefined lockout outdoor temperature to let the furnace take over. For SFFHP, a model predictive control strategy is developed to continuously adjust the capacities of the electric heat pump and gas furnace based on the foreseen weather data, utility price signals, and marginal grid emission signals with the goal of minimizing the utility cost and CO2 emission while guaranteeing comfort requirements.In this paper, DFHP and SFFHP are simulated using high-fidelity heat pump performance curves generated from DOE/ORNL heat pump design model. Performance comparison of DFHP and SFFHP during 2019-2020 heating season in Los Angeles shows that SFFHP with model predictive control achieves 23% utility cost reduction and 17 % CO2 emission reduction. Case studies demonstrate that SFFHP can deliver significant reductions in peak demand, utility cost, and CO2 emission. As a result, SFFHP can deliver superior benefits for utility cost reduction and CO2 emission reduction over conventional dual fuel heat pump.

Li, Zhenning↗

Centipod WEC, Advanced Controls, MPC Controller MATLAB Code

This archive contains the MATLAB code for the model predictive control (MPC) controller developed in this project. The archive containing the WaveDyn models used for analysis of the Centipod with the MPC controller is linked in this submission.

16 TIDAL AND WAVE POWER↗

Phenomenological Model of Nonlinear Dynamics and Deterministic Chaotic Gas Migration in Bentonite: Experimental Evidence and Diagnostic Parameters

Understanding gas migration in compacted clay materials, e.g., bentonite and claystone, is important for the design and performance assessment of an engineered barrier system of a radioactive waste repository system, as well as many practical applications. Existing field and laboratory data on gas migration processes in low-permeability clay materials demonstrate the complexity of flow and transport processes, including various types of instabilities, caused by nonlinear dynamics of coupled processes of liquid–gas exchange, dilation, fracturing, fracture healing, etc., which cannot be described by classical models of fluid dynamics in porous media. We here show that the complexity of gas migration processes can be explained using a phenomenological concept of nonlinear dynamics and deterministic chaos theory. To do so, we analyzed gas pressure and gas influx (i.e., input) and outflux (i.e., output), recorded during the gas injection experiment in the compact Mx80-D bentonite sample, and calculated a set of the diagnostic parameters of nonlinear dynamics and chaos, such a global embedding dimension, a correlation dimension, an information dimension, and a spectrum of Lyapunov exponents, as well as plotted 2D and 3D pseudo-phase-space strange attractors, based on the univariate influx and outflux time series data. These results indicate the presence of phenomena of low-dimensional deterministic chaotic behavior of gas migration in bentonite. In particular, during the onset of gas influx in the bentonite core, before the breakthrough, the development of gas flow pathways is characterized by the process of chaotic gas diffusion. After the breakthrough, with inlet-to-outlet movement of gas, the prevailing process is chaotic advection. During the final phase of the experiment, with no influx to the sample, the relaxation pattern of gas outflux is resumed back to a process of chaotic diffusion. The types of data analysis and a proposed phenomenological model can be used to establish the basic principles of experimental data-gathering, modeling predictions, and a research design.

36 MATERIALS SCIENCE↗

The New Muon g₋2 experiment at Fermilab

There is a long standing discrepancy between the Standard Model prediction for the muon g-2 and the value measured by the Brookhaven E821 Experiment. At present the discrepancy stands at about three standard deviations, with a comparable accuracy between experiment and theory. Two new proposals -- at Fermilab and J-PARC -- plan to improve the experimental uncertainty by a factor of 4, and it is expected that there will be a significant reduction in the uncertainty of the Standard Model prediction. I will review the status of the planned experiment at Fermilab, E989, which will analyse 21 times more muons than the BNL experiment and discuss how the systematic uncertainty will be reduced by a factor of 3 such that a precision of 0.14 ppm can be achieved.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗