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At least 919 records · Page 51

Characterization and Optimization of Building Blocks for Specialized Computing Platforms

As noise limits the performance of quantum processors, the ability to characterize this noise and develop methods to overcome it is essential for the future of quantum computing. In this report, we develop a complete set of tools for improving quantum processor performance at the application level, including low-level physical models of quantum gates, a numerically efficient method of producing process matrices that span a wide range of model parameters, and full-channel quantum simulations. We then provide a few examples of how to use these tools to study the effects of noise on quantum circuits.

42 ENGINEERING↗

IACMI Project 4.2: Thermoplastic Composite Development for Wind Turbine Blades

(Section 5.1) Composites made from Arkema’s Elium® thermoplastic resin and Johns Manville fiberglass were researched during this project for applications in wind blade manufacturing. A techno-economic model was developed to model this wind blade manufacturing process using these materials in place of traditional composites made with thermoset resin. This model was based on manufacturing a 61.5-meter wind blade, which showed a 4.7% reduction in wind blade cost as compared traditional thermoset materials. These cost savings were not from the thermoplastic material costing less than traditional thermoset materials, but rather from decreased capital costs, faster cycle times and reduced energy requirements and labor costs. (Section 5.2) An infusion and curing model was developed for thermoplastic composite wind blades using PAM-RTM. The primary goal was to demonstrate the infusion simulation for the Elium® resin system on a 13-meter wind blade. Additionally, the exotherm temperature was predicted and compared to measurements, which showed model results within 10% of actual measurements. (Section 5.3) Composite laminate panels and composite sandwich panels with a balsa core were produced; specimens were cut and characterized. Similar composite specimens were made with Elium® thermoplastic resin and Hexion thermoset epoxy (RIMR135/RIMH1366) to enable comparisons between these resin systems. The static test methods included: tensile, compression, in-plane shear, interlaminar shear, flexural, sandwich core shear flexure, and single cantilever beam tests for sandwich beams. Fatigue testing at room temperature was completed to composite laminate panels at a stress ratio of R=0.1 and R=10. In addition, fatigue testing to laminate panels was completed at -30°C, and at room temperature after conditioning specimens at 70°C and 90% relative humidity. Overall, mechanical test results from Elium® composites are similar to epoxy composites. (Section 5.4) Elium composite panels were produced with intentional defects such as voids and nonwetting of fibers to begin to understand performance sensitivity to defects. A thermal digital image correlation (TDIC) method provides high spatial resolution strain field at elevated temperatures and can be used to identify defective regions within composite panels. Flexural modulus differences of 21% were seen between defect and non-defect panels. Other Elium® composite panels were forced to be defective by boiling the resin after infusion, which created voids throughout the composite laminate. X-ray computed tomography scanning was used to view the internal structure of the defect panels. Defect panels had a significant reduction in fatigue life as compared to baseline panels produced without intentional defects. (Section 5.5) Lap shear specimens were fabricated to compare the lap shear strength of an off-the-shelf adhesive (Plexus MA590) and two new adhesives developed by Arkema (Bostik SAF30 90 and Bostik SAF30 120). ISO standard 4587:2003 was used to standardize the testing method and sample fabrication. Lap shear specimens were made at 1mm, 3mm, and 10mm thicknesses. The Bostik adhesive lap shear test results were similar to Plexus for all thicknesses. (Section 5.6) Fiber-reinforced polymer (FRP) composites are typically used in high-performance applications (e.g., aerospace), and their expansion into high-volume industries (e.g. consumer automotive and wind turbine blade manufacturer or similar) is hindered by their cost and a lack of efficient manufacturing techniques. Monitoring the curing process of these composites during manufacturing can improve the efficiency of the process, and therefore reduce the manufacturing cost. Cure monitoring techniques were developed that use probabilistic estimation methods and surface temperature measurements made using infrared cameras. These techniques enable real-time monitoring of the infusion process to locate manufacturing flaws, and they can, potentially, estimate residual stresses in the part. Their commercialization will help facilitate expansion of FRP composites in high-volume industries. (Section 5.7) A 13-meter composite wind blade was produced with Elium® resin and Johns Manville fiberglass; this blade was made with VARTM processing similar to how megawatt-scale wind blades are currently manufactured, but no post-mold heating was used for this thermoplastic composite blade. The wind blade underwent full-scale validation for static loading (4-different load orientations) and flapwise fatigue loading to simulate 20-years of operational loads. The thermoplastic composite wind blade withstood the loading without any noted issues and performed similar to results from a previous full-scale validation to an equivalent epoxy composite wind blade produced with the same blade molds. (Section 5.8) A study was conducted to determine the feasibility of recycling composite wind turbine blade components fabricated with glass fiber reinforced Elium® thermoplastic resin. Dissolution, which is a process unique to thermoplastic matrices, allows recovery of both the polymer matrix and full-length glass fibers, while maintaining their stiffness and strength throughout the recovery process. The economics of recycling is favorable if 50% of the glass fiber is recovered and resold for a process of $\$$ 0.28/kg, and 90% of the resin is recovered and resold at a price of $\$$ 2.50/kg.(Section 10) Recommendations are outlined for commercializing thermoplastic resin for composite wind blade production, in addition to recommended areas for future research.

17 WIND ENERGY↗

Pursuing Dark Energy with Large Galaxy Redshift Surveys: Baryon Acoustic Oscillations and Beyond (Final Technical Report)

We have developed and applied methods of large-scale structure from galaxy redshift surveys to the study of dark energy. This program supported my group's development of the baryon acoustic method and our participation in the Dark Energy Spectroscopic Instrument (DESI) survey. In addition to my leadership role in the DESI collaboration, my group at Harvard focused on several topics addressing key needs of the DESI science program. 1) We continued our design, validation, and documentation of DESI target selection of the luminous red galaxy and emission-line galaxy samples. 2) We applied simulations from our novel and extremely fast N-body code to make DESI catalogs. With these, we will search for possible systematic shifts in the acoustic scale due to clustering bias with an unprecedented volume of simulations. 3) We extended our method for the fast construction of covariance matrices for correlation functions. 4) We developed new large-scale structure methods, including density-field reconstruction and three-point function analysis.

79 ASTRONOMY AND ASTROPHYSICS↗

Understanding the Seismic Ground Motion Spatial Variability Using Network Analysis Community Detection

This project is to explore ground motion spatial distribution using a new approach graph-based network analysis. In this study, we combine a large-N seismic array and graph analytics to explore spatial variability and correlation at a local scale using small local and regional earthquakes. In this method, each seismic station is modeled as a node and the similarities of the waveforms that represent ground motions between two stations are modeled as edges. By analyzing this graph network using the similarity matrices and community detection algorithm, we can group the stations spatially with similar patterns. A random forest algorithm is used to reveal the important features that affect the spatial grouping. The result suggests site conditions, and how they interact with the incident seismic wavefield, strongly condition the spatial correlation of ground motion. Future progress in characterizing ground motion spatial variability will require dense wavefield measurements, either through nodal deployments, or perhaps distributed acoustic sensing measurements of seismic wavefields.

58 GEOSCIENCES↗

Reduced Temperature Cesium Removal from AP-101 Using Crystalline Silicotitanate

The Tank Side Cesium Removal (TSCR) system, currently operational under Washington River Protection Solutions LLC (WRPS), sends initial low-activity Hanford waste tank supernate feed to the Hanford Waste Treatment and Immobilization Plant (WTP) Low-Activity Waste (LAW) Facility. In addition to entrained solids removal from the supernate, the primary goal of TSCR is to remove cesium-137 ( 137 Cs) by ion exchange, allowing contact handling of the liquid effluent product at the WTP. Crystalline silicotitanate (CST) ion exchange media, manufactured by Honeywell UOP, LLC (product IONSIV™ R9140-B), was selected as the ion exchange media at TSCR. Laboratory-scale ion exchange processing using TSCR prototypic unit operations continues to contribute toward WRPS establishing accurate process flowsheets for the individual feed campaigns planned for TSCR. This report describes the small-scale ion exchange testing with 14.0 L of diluted and filtered supernate from tank 241-AP-101 (AP-101DF) at 16 °C (62 °F) to demonstrate processing at temperature conditions that are more prototypic of what the TSCR system could experience during colder seasons of the year. Since CST Cs capacity increases with decreasing contact temperature, testing at the lower operating temperature will help to predict the maximum 137 Cs loading onto the CST in the TSCR system. One of the waste acceptance criteria (WAC) for the WTP Low-Activity Waste Facility is that the waste must contain less than 3.18×10 -5 Ci 137 Cs per mole of Na. For the AP-101DF tank waste to meet this criterion, only 0.144% of the influent 137 Cs concentration may be delivered to the WTP; this requires a Cs decontamination factor of 694. Testing with AP-101DF matched TSCR prototypic operations where a lead-lag configuration was used until the lag column reached the WAC limit, then a polish column was brought online for continued processing in a lead-lag-polish column configuration. Feed was processed at 1.9 bed volumes (BVs) per hour; the flowrate, in terms of contact time with the CST bed, matched the expected flowrate at TSCR. The Cs-decontaminated product was retained for vitrification testing (to be reported separately). The lead column reached 62% Cs breakthrough after processing ~1400 BVs of feed; the 50% Cs breakthrough occurred at 1250 BVs. Testing compared to previous AP-107 testing at 16 °C showed ~80 BV increases in volume processed to reach the WAC limit for both lead and lag columns. A similar slope in breakthrough curves for both tests indicates similar kinetic behavior, with variations in feed matrices (Na and Cs concentrations) likely responsible for the deviations in reaching the WAC limit. The Cs effluent from the lag column reached the WAC limit after processing 875 BVs. Anticipating this breakthrough point, the polish column was preemptively installed at 770 BVs. Cs breakthrough from the lag column began at 300 BVs, reaching 5.32×10 0 µCi/mL, or 5.6 % Cs breakthrough, after processing all 1400 BVs of feed. Table S.1 and Figure S.1 summarize the observed column performance and relevant Cs loading characteristics.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Parallel-Plate Avalanche Counter (PPAC) Fabrication for 240 Pu PFNS Measurement [Slides]

A LANL-LLNL joint program has been developed successfully to measure PFNS and established the most precisely determined $\chi$ matrices for 235,238 U and 239 Pu. It has been extended to 240 Pu now and possibly to 233 U in the future. An alternative method was developed to fabricate 240 Pu and a total of 12 targets were made with a total mass of 17.9 mg. The PFNS measurement for 240 Pu will begin in June, 2022 when the new beam cycle starts and the data analysis follows immediately afterward.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Update of CEA DES Criticality-Safety Activities and Perspectives [Slides]

Neutronics staff at CEA DES are in charge of a whole set of modeling and simulation tools for neutronics: nuclear data evaluation and processing, transport codes development, calculation sequences edition, verification, validation and uncertainty analysis. Advanced user groups are in charge of specific nuclear analysis in reactor physics, fuel cycle, criticality-safety, radiation shielding and nuclear instrumentation for CEA and its partners, at all stages of nuclear facilities life cycle. CEA is willing to participate/collaborate on the following issues: detector design, experiments, analysis and evaluation, DH validation by combining TAGS measurements with Fission Yield variance-covariance matrices.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

High-Temperature Gas-Cooled Reactor Research Survey and Overview: Preliminary Data Platform Construction for the Nuclear Energy University Program

Since the U.S. Department of Energy Office of Nuclear Energy initiated the Nuclear Energy University Program (NEUP) in 2009, there are 29 NEUP projects focusing on high-temperature gas-cooled reactor (HTGR) research up to July 2022. The resultant research product, either experimental or computational, were published as final NEUP reports, journal articles and conference proceedings. However, these federally funded products have been scattered and sometimes cannot be easily accessed. To improve access to this valuable HTGR validation data and optimize the return on the significant investment made by the Department of Energy, the Advanced Reactor Technologies (ART) Gas-Cooled Reactor (GCR) program started a survey of completed and ongoing HTGR NEUP projects to develop a public-access database specific for HTGRs applications that can be used to retrieve computational fluid dynamics and system code validation data. This effort will help guide future NEUP-funded research, define new state of the ART Phenomena Identification and Ranking Table (PIRT), and promote the usage of this data in the codes validation matrices. This report provides an overview of the NEUP-funded HTGR-related research projects from Fiscal Year (FY) 2009–2021 and identifies validation knowledge gaps still existing in HTGR thermal-fluid research. A preliminary data platform has been developed for the 29 NEUP projects investigating HTGR thermal hydraulics, including their final reports as well as the available scientific publications. As an ultimate goal for this work, the ART-GCR program will create a central database at Idaho National Laboratory to identify, organize, and store these datasets generated by experimental investigations or computational models, experimental facility descriptions, and publicly-available academic products from the HTGR-related NEUP projects and provide future guidance for the storage and transmission of important project documentations for later NEUP projects as well.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Radiation Characterization Summary: WSMR Fast Burst Reactor Environment at the 6-Inch and 24-Inch Irradiation Locations

This document presents the facility-recommended characterization of the neutron, prompt gamma-ray, and delayed gamma-ray radiation fields for the White Sands Missile Range (WSMR) Fast Burst Reactor, also known as molybdenum-alloy Godiva (Molly-G), at the 6-inch and the 24-inch irradiation locations. The neutron, prompt gamma-ray, and delayed gamma-ray energy spectra, uncertainties, and covariance matrices are presented. Code dependent recommended constants are given to facilitate the conversion of various dosimetry readings into radiation metrics desired by experimenters. Representative pulse operations are presented with conversion examples.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Radiation Characterization Summary: NETL Beam Port 1/5 Free-Field Environment at the 128-inch Core Centerline Adjacent (NETL-FF-BP1/5-128-cca)

This document presents the facility-recommended characterization of the neutron, prompt gamma ray, and delayed gamma ray radiation fields in the University of Texas at Austin Nuclear Engineering Teaching Laboratory (NETL) TRIGA reactor for the beam port 1/5 free-field environment at the 128-inch location adjacent to the core centerline. The designation for this environment is NETL-FF-BP1/5-128-cca. The neutron, prompt gamma ray, and delayed gamma ray energy spectra, uncertainties, and covariance matrices are presented as well as radial and axial neutron and gamma ray fluence profiles within the experiment area of the cavity. Recommended constants are given to facilitate the conversion of various dosimetry readings into radiation metrics desired by experimenters. Representative pulse operations are presented with conversion examples.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Modeling, Performance Assessment, and Nodal Data Analysis of TRISO-Fueled Systems with Shift

This technical report documents several enhancements to the Shift Monte Carlo (MC) code under the US Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in fiscal year (FY) 2022. Performance enhancements were added to Shift specifically for tristructural isotropic (TRISO)–fueled reactor systems and guided based on performance analysis in FY 2021. For the pebble performance model developed in previous studies, the runtime improved by ~ 91× compared to the original model and ~ 2× compared to the user-optimized model. Compared to Serpent, Shift is ~ 3× slower if Serpent delta-tracking is enabled but ~ 2× faster when delta-tracking is disabled. The multigroup cross section generation was improved through simplifying tally input definitions, porting several post-processing tally operations from Python scripts into the Shift code base, and accounting for production reactions in the scattering multiplicity. Progress was also made on two emerging capabilities: (1) the development of Titan (a Shift reactor physics user interface) and (2) initial investigation into path-length tallies for computing multigroup scattering matrices.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Covariance Testing at BNL [Slides]

This presentation discusses testing implemented in FUDGE & ADVANCE in regard to proper ENDF formatting: STAN, STANEF, CHECKR, FUDGE, NJOY, convert to BOXR format, plotting, endfcovreport.py which is an overview of ENDF library’s covariance contents, and covariance Matrix class implements that are the core of all GNDS covariance. Several checks are performed, including symmetric, real, positive definite, condition # of Eigenvalues, and too big uncertainties. The presentation states that it can fix too big and/or small uncertainties and that it can plot matrices. It states that further testing is recommended by CSEWG but has not yet been implemented and suggests methods such as documentation which needs a human to execute, completeness which is partially complete, and reasonableness which has not been started. The presentation concludes by elaborating on reasonableness and states that only cross section is documented, that similar limits on CP reactions cross sections are needed, that maximum limits are needed too which is tricky since ENDF assumes Normal PDFs, and that there may be other observables.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

TEDS Test Plan for Performance Characterization of Packed-bed Thermal Energy Storage Unit

This report proposes a set of test plans for performance measurement and characterization of the packed-bed thermal energy storage (TES) unit for TEDS. The main goals of this test plan are three-fold: (i) support the high-fidelity data measurement for TEDS, (ii) characterize thermal and structural performance of the TEDS TES unit, and (iii) produce high quality validation-oriented data. To achieve the goals, it is first suggested to revisit the instrument calibration and data sampling protocols applied during the startup and commissioning tests of TEDS, based on the observation from the recent CFD validation study using the TEDS TES operational data. The uncertainty quantification of the thermal and hydraulic measurements is also suggested. Lastly, test matrices are provided for charge, discharge, and standby modes of the packed-bed TES unit, respectively, to characterize the thermal and structural performances during the envisioned TEDS operations.

25 ENERGY STORAGE↗

Semiconductor Nanostructures by Scientific Design (Final Technical Report)

We developed and used quantum simulation techniques to predict structural, electronic, optical and thermal properties affecting the scientific design of semiconductor nanostructures. We focused on the study of surfaces and interfaces at the nanoscale, in particular embedding and solvation of semiconductor nanoparticles, and provided a microscopic description of nanostructured materials in realistic environments, directly comparable with experimental conditions. We addressed three major problems: (i) the design of realistic structural models of integrated nanostructures, e.g. quantum dots embedded in solid matrices and nanostructures immersed in fluids; (ii) the development of efficient and accurate calculations to describe the excited state properties of nanostructures, beyond standard Density Functional Theory, so as to understand and predict electronic properties involved in renewable energy applications, for example solar conversion devices. In particular we developed and used methods based on a many body perturbation theory. (iii) the development of calculations of heat transport properties of nanostructured materials, for thermoelectric applications, including predictive calculations of thermal and electrical conductivity and of Seebeck coefficients. Specifically, we developed and used methods based on the Boltzmann transport equation and molecular dynamics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Application of FARM to an IES scenario within the FORCE ecosystem

The FARM (Feasible Actuator Range Modifier) software module is a component of the RAVEN-based FORCE framework for analysis of Integrated Energy Systems (IES). FARM supports the HERON software module in the evaluation of the optimal dispatch by evaluating feasible set-points for the different IES unit components. Set-points are required to satisfy limits on both production variables (i.e., the variables to be optimized such as the electrical power, the hydrogen production rate, etc.) and process variables tied to the service life of equipment (e.g., steam flowrate, vessel pressure, turbine firing temperature, etc.). This problem is addressed by adopting a two-stage approach. First, the HERON power dispatcher determines set-points that meet the constraints on the former variables (e.g., power levels and power ramp rate limits). These constraints are called explicit constraints. Then, FARM adjusts these set-points to ensure the respect of the limits on the latter variables given the knowledge of the system physics acquired through machine learning algorithms. These constraints are called implicit constraints. From this standpoint, FARM constitutes a bridge between the HERON power dispatcher that adopts a simplified description of the IES unit (low-resolution physics) and the HYBRID high-fidelity models (high-resolution physics). The original version of the FARM software module (FARM-Alpha) was released by Argonne National Laboratory in January 2021. In the latest version of the code released in July 2022 (FARM-Delta), the Reference Governor (RG) algorithm was upgraded to a Multi-Input Multi-Output version from its original Single-Input Single-Output form. The RG algorithm acts to enforce constraints. With this improvement an IES unit is now treated as a single dynamic system from the standpoint of control. The crosstalk among components in an IES unit is now fully considered thereby ensuring a true optimization is obtained for those units that have multiple set-points. In this report, the capabilities of FARM-Delta operating within the FORCE ecosystem are demonstrated for an IES test case. The specific configuration of IES unit for this case was selected by the IES team with consultation from the Advanced Reactor IES Expert Group. A full TEA analysis that invoked HERON, HYBRID, FARM, and RAVEN was performed and serves to demonstrate how the latest modification to FARM algorithms (i.e., state variable selection, state-space matrices derivation, set-point verification) can shape setpoints that might otherwise compromise the health of equipment through accelerated wear and tear. In this specific test case, it was demonstrated that these algorithms ensure a more efficient utilization of steam resources to be shared by two different subsystems, namely Balance of Plant (BOP) and High-Temperature Steam Electrolysis (HTSE). Finally, some code improvements that can further enhance the user-friendliness are suggested.

97 MATHEMATICS AND COMPUTING↗

Evaluating a Semi-Quantitative, Spectrophotometric Method for the Rapid Determination of Total Rare Earth Element Concentrations in Citrate Leaching Solutions

Quick, reliable methods to measure the rare earth elements (REEs) in process streams are needed to support real-time parameterization and monitoring for a burgeoning number of REE extraction schemes. Such methods would ideally be fast, reproducible, and field-deployable. This study evaluates the feasibility of using a chromogenic indicator, arsenazo(III) (hereafter abbreviated as Arsz(III)) to detect the concentration of REEs in complex citrate leaching solutions using a spectrophotometer. Arsz(III) forms a chromogenic complex with the lanthanide elements that produces a blue/purple color detectable in the visible light range. Matrices of solutions containing varied concentrations of calcium, iron, and lanthanum were scanned in the presence of an Arsz(III) indicator to generate a modeled relationship that could be used to back calculate REE concentrations. While relatively quick (scan times on the order of seconds), the results indicated that the calcium and iron concentrations of typical mining solutions overwhelm the signal of the REEs, to the extent that sensitivity of the method is no less than 50 µM REEs. These results demonstrate the difficulties of accurately measuring trace metals in complex solutions, although the method may still hold utility for processes with significantly lower calcium and iron concentrations or REE concentrations much greater than 50 µM.

36 MATERIALS SCIENCE↗

Next Generation Fiber-Encapsulated Nanoscale Hybrid Materials for Direct Air Capture with Selective Water Rejection

Recently, NOHMs sorbents have been demonstrated to be highly stable and tunable for CO2 capture and have negligible vapor pressure, but their main drawbacks are high viscosity and high gas transfer limitation in their neat bulk phase. This project explored gas-assisted electrospinning processing coupled with promising encapsulation matrices such as Polymers with Intrinsic Microporosity (PIM-1) and polyacrylonitrile (PAN)/organopolysilizane (OPSZ) polymer/ceramic hybrid materials, which were demonstrated to be effective novel carriers for the active NOHMs sorbents. These encapsulation materials were evaluated by their thermal stability, hydrophobicity, permeability, and CO2 selectivity. The manufacturing parameters such as component composition and processing solvent were linked to bulk sorbent properties, e.g., surface area, pore volume, fiber thickness, capture capacity, capture kinetics, etc. These investigations resulted in fundamental knowledge and technical know-how that will be useful for scaling up the nanofiber mat contactor design. The encapsulation materials and design has been shown to not only increase the thermal oxidative stability of the NOHMs, but also yield significantly reduced pressure drop and increased performance of large modular air filters. 70 PAN: 30 OPSZ/NIPEI fibers exhibited the highest capture performance with 1.5 mmol CO2/g∙h kinetics the first hour under 100% CO2 condition, followed by 80 PAN: 20 OPSZ/NIPEI and 90 PAN: 10 OPSZ/NIPEI, while 90 PAN: 10 OPSZ/NIPEI fibers performed the best with 0.25 mmol CO2/g∙h of the initial kinetics under 400 ppm CO2 concentration. All the fabricated fibers demonstrated stable capture performances up to 15 cycles of adsorption and desorption. Using encapsulated NOHMs, the study found that the microwave could help regenerate the capture materials within 20 minutes without chemically degrading the materials. A high-level TEA/LCA study was performed to evaluate the feasibility of this technology at scale. These estimates show that the sorbent cost and environmental impact levels are comparable to other existing technologies. Overall, these findings increase the technological feasibility of using liquid-like, low vapor pressure NOHMs as a next generation sorbent for the direct air capture of CO2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗