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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 127 records · Page 7

Thermal conductivity of two-dimensional disordered fibrous materials defined by interfiber thermal contact conductance and intrinsic conductivity of fibers

A general framework for the theoretical analysis and numerical calculations of the effective thermal conductivity of two-dimensional homogeneous and isotropic disordered fibrous materials is developed in this work based on the model of random contacts between soft-core spherocylinders. The analysis accounts for the interfiber contact conductance and intrinsic conductivity of fibers and is performed in a wide space of governing parameters that includes the fiber aspect ratio, Biot number calculated for a single thermal contact between fibers, and material density ranging from values corresponding to the percolation threshold up to those characteristic of dense fiber networks. For dense networks, exact theoretical equations for the thermal conductivity of materials composed of spherocylinders with an arbitrary aspect ratio and Biot number are derived. The effect of the intrinsic conductivity of fibers on the thermal transport in fibrous materials is found to depend on the density of contacts and can be significant in sufficiently dense fiber networks even if the Biot number for a single thermal contact is small. Semiempirical corrections to the theoretical equations are derived for small and moderate fiber densities. The power law exponent describing the approximate dependence of the conductivity on the density parameter is found to vary from values close to 1 up to values exceeding 2 when evaluated within different finite ranges of the density parameter. This finding explains the variability of scaling laws for thermal conductivity of fibrous materials suggested in the literature based on numerical simulations performed in different regions of the space of material parameters.

36 MATERIALS SCIENCE↗

Tailoring Negative Thermal Expansion via Tunable Induced Strain in La–Fe–Si-Based Multifunctional Material

Zero thermal expansion (ZTE) composites are typically designed by combining positive (PTE) with negative thermal expansion (NTE) materials acting as compensators and have many diverse applications, including in high-precision instrumentation and biomedical devices. La(Fe 1-x ,Si x )13-based compounds display several remarkable properties, such as giant magnetocaloric effect and very large NTE at room-temperature. Both are linked via strong magnetovolume coupling, which leads to sharp magnetic and volume changes occurring simultaneously across first-order phase transitions; the abrupt nature of these changes makes them unsuitable as thermal expansion compensators. To make these materials more useful practically, the mechanisms controlling the temperature over which this transition occurs and the magnitude of contraction need to be controlled. In this work, ball-milling was used to decrease particles and crystallite sizes and increase the strain in LaFe 11.9 Mn 0.27 Si 1.29 H x alloys. Such size and strain tuning effectively broadened the temperature over which this transition occurs. The material’s NTE operational temperature window was expanded, and its peak was suppressed by up to 85%. This work demonstrates that induced strain is the key mechanism controlling these materials’ phase transitions. This allows the optimization of their thermal expansion towards room-temperature ZTE-applications.

36 MATERIALS SCIENCE↗

Assessing the Impact of Effective Thermal Conductivity on Gas-cooled Reactor Transients in RELAP5-3D

High-temperature gas-cooled reactors (HTGRs) are a relatively mature advanced reactor concept that are of interest to industry and government for near-term deployment. These systems feature passive safety through low power density, coated particle fuels, and large graphite volumes that lead to slow heatup. In loss of flow transients, cooldown is achieved through conduction and radiation heat transfer. In prismatic block-type reactors, such as the mHTGR-350, the presence of coolant holes and fuel compacts alters the flow of heat through the blocks. To capture this effect in systems codes like RELAP5-3D, relationships for effective thermal conductivity (ETC) must be used to appropriately degrade the thermal conductivity. This work presents an assessment of the impact of ETC on performance of block-type gas-cooled reactors in a pressurized conduction cooldown (PCC) and depressurized conduction cooldown (DCC) transients. Models for PCC and DCC with bulk material thermal conductivity and ETC were run for both the mHTGR-350 and the High-Temperature Test Facility (HTTF) to determine the impact of ETC on transient performance.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Investigation of Oxidation Mechanisms in HfS 2 and ZrS 2 via In Situ Electron Microscopy

Transition metal dichalcogenides (TMD) combine semiconducting properties with stability and are therefore widely studied for future microelectronic devices. However, applications require integration with a suitable dielectric at a planar, defect-free interface. For Hf- and Zr-based TMDs, the good dielectric properties of hafnia and zirconia imply that direct oxidation is a promising strategy, provided that a high-quality interface and suitable oxide morphology can be formed. Here, in this study, we investigate HfS 2 and ZrS 2 oxidation, aiming to understand pathways toward planar oxide layer formation and the mechanisms that determine the characteristics of the semiconductor/dielectric interface. We use conventional and environmental transmission electron microscopy to reveal changes in morphology and composition of the TMDs under different gaseous environments. We show that oxidation at ambient conditions causes compositional heterogeneities, with local replacement of S by O in both materials. Thermal oxidation causes desulfurization and formation of a smooth but defective oxide layer. In contrast, plasma oxidation appears the best-suited to forming a controlled TMD/dielectric interface with a smooth oxide layer and without major defects. These results provide insight into the opportunities available from HfS 2 and ZrS 2 through oxidation and suggest a materials processing strategy for electronic device fabrication.

HfS2↗

RELAP5-3D Simulation of PG-27 Test at the HTTF Facility

The High Temperature Test Facility (HTTF) at Oregon State University (OSU) is a quarter scaled integral-effect test facility designed to examine the transient phenomena occurring in a Modular Hight Temperature Gas-cooled Reactor (MHTGR). It is specifically designed to handle the pressurized and depressurized conduction cooldown (PCC and DCC) events. The PCC event is an accident scenario in which there is a loss of forced convection of the coolant through the system. However, the pressure boundary remains intact. This study focuses on the Reactor Excursions and Leak Analysis Program (RELAP)5-3D simulation of the PG-27 test (PCC phenomena) and the sensitivity of those simulations from the material properties and primary helium mass flow rate standpoint. The aim is to capture a reasonable one-dimensional picture of a three dimensional phenomena. The simulation will help in the code assessment and in understanding the various unknown parameters involved. The presented results will demonstrate the code is able to capture the detailed one-dimensional physics accurately. However, input parameters to the code (i.e., the primary mass flow rate, refractory material thermal conductivity, and heat capacity at elevated temperatures) impact the fuel temperature the most. This work will discuss the sensitivity of simulations to the identified input parameters.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Characterization of Fuel-to-Coolant Heat Transfer During Reactivity-Initiated Accidents Using Tightly Coupled Thermal Hydraulics and Fuel Thermomechanics

The reactivity-initiated accident (RIA) is a complex scenario with several tightly interacting physical phenomena. Accurately predicting fuel behavior during these transients is difficult due to limitations in the modeling of fuel-to-coolant heat transfer. Common approaches to simulate RIAs involve standalone calculations using either a fuel performance code or a thermal-hydraulic code. The complex interdependencies of thermal-hydraulic and fuel mechanical behavior suggest that a tight coupling between these codes may provide more accurate predictions of fuel-to-coolant heat transfer and cladding mechanical response. Here, RELAP5-3D and BISON are coupled in this paper to simulate RIAs, and a sensitivity analysis is performed to rank key thermal properties and two-phase heat transfer parameters relevant for fuel-to-coolant heat transfer and cladding failure mechanisms in UO 2 –Zircaloy-4 systems. Gas gap conductance, film boiling heat transfer uncertainty, pulse width, fuel-specific heat capacity, and cladding-specific heat capacity were identified as important parameters. Variations in figures of merit resulting from changes to pulse width and the material thermal properties indicate that time-dependent heat transfer rates are significant for safety-relevant mechanical parameters due to the time dependence of cladding ductility and pellet-cladding mechanical interaction loading. The results suggest that the thermal-hydraulic factors have a nonnegligible influence on the thermomechanical solution and vice versa. Tight coupling of both sets of physics is recommended to improve prediction of fuel behavior during RIAs. Highlights include the following: 1. The RELAP5-3D thermal-hydraulic code and the BISON fuel performance code are tightly coupled for simulation of RIA transients with energy depositions at the Zircaloy-4 cladding failure threshold. 2. Departure from nucleate boiling occurred for all simulated cases. Due to the ductility of fresh fuel, substantial ballooning occurred in most cases. 3. Gas gap conductance, fuel-specific heat capacity, cladding-specific heat capacity, transient pulse width, and film boiling heat transfer were the dominant thermal factors impacting the safety figures of merit at energy depositions.

Critical Heat Flux (CHF)↗

Stable salt hydrate-based thermal energy storage materials

Heating and cooling systems in building infrastructure utilize conventional materials that account for a considerable amount of energy usage and waste. Phase change material (PCM) is considered a promising candidate for thermal energy storage that can improve energy efficiency in building systems. In this work, a novel salt hydrate-based PCM composite with high energy storage capacity, relatively higher thermal conductivity, and excellent thermal cycling stability was designed and developed. The thermal cycling stability of the PCM composite was enhanced by using dextran sulfate sodium (DSS) salt as a polyelectrolyte additive, which significantly reduced the phase segregation of salt hydrate. The energy storage capacity and the thermal conductivity of the composite were enhanced by the addition of various graphitic materials along with Borax nucleator. A significant increase in thermal cycling stability was observed for the DSS-modified composite, with over 100 thermal cycles without degradation. The final PCM composite exhibited as much as 290% increase in energy storage capacity relative to the pure salt hydrate, and approximately 20% increase in thermal conductivity. In addition, the PCM composite developed can be produced at larger scale, and can potentially change the future of heating/cooling system in building infrastructure.

42 ENGINEERING↗

AMMT Round Robin 316H HFIR Irradiation Test Matrix and Readiness for Insertion

The Round Robin 316H HFIR-2 irradiation campaign, conducted under the Advanced Materials and Manufacturing Technologies (AMMT) Program, is designed to evaluate the variability in irradiation response of laser powder bed fusion (LPBF) stainless steel (SS)-316H across multiple national laboratories, powder heats, and processing conditions, with comparison to wrought counterparts. A total of 11 materials are intended for irradiation in the High Flux Isotope Reactor (HFIR), targeting two irradiation temperatures (400°C and 600°C) and one level of irradiation damage (2 dpa). This irradiation campaign utilizes the standardized general tensile (GENTEN) capsule design to accommodate subsized tensile specimens of these materials. Thermal analyses were performed to ensure appropriate temperature control by design and uniformity within the capsules. All the capsules for this irradiation except one have been successfully assembled, welded, and tested and are ready for HFIR insertion. The last capsule requires re-build following a failed weld. All eight capsules are intended to be inserted in HFIR cycle 517, which is scheduled to start September 8, 2026. This report summarizes the design, material selection, and readiness for insertion of the capsules.

36 MATERIALS SCIENCE↗

Flow boiling transient critical heat flux tests with stainless steel and FeCrAl: Transient correlation implementation, model calibration, and sensitivity analysis

In this study, steady-state and transient internal-flow critical heat flux (CHF) experiments were carried out under two flow conditions, at atmospheric pressure, on 316 stainless steel (316-SS) and iron-chromium-aluminum (FeCrAl) tubes. Slow power transients at a low mass flow (300 kg/m 2 - s) with very low subcooling (X e =-0.0054) generated premature CHFs, which were prevented by faster power transients and high mass flow (1000 kg/m 2 - s). The measured transient CHFs increased linearly with increasing power transients, compared with the steady-state CHF. Yet, the wall superheat at the CHFs decreased with faster power transients. Transient CHF correlations highlighting heterogeneous spontaneous nucleation were calibrated to the measured CHFs and compared with other existing correlations. Transient CHF multipliers were acquired from pool and flow boiling empirical CHF correlations that were generated. The multipliers were applied to the RELAP5-3D nuclear system code to analyze the discrepancies between the measured data and the predicted CHF and post-CHF behavior, which improved peak cladding temperature predictions by 24.6%. A variance-based global sensitivity study perturbing the experimental uncertainties and cladding material thermal properties showed the diminishing influence of flow boiling heat transfer with increasing power transients, highlighting the significance of the volumetric heat capacity for the cladding integrity during transients. Transient CHF correlations were applied to the most limiting design basis accident: a hot-zero-power reactivity-initiated accident on a generic pressurized water reactor RELAP5-3D model.

36 MATERIALS SCIENCE↗

Standards development for modules in high temperature micro-environments

Photovoltaic (PV) module qualification standards, IEC 61215 and IEC 61730, were designed to apply to “general open-air climates” and IEC 61730 specifically indicated applicability of ambient air temperature of 40°C. Additionally, these standards provided allowances for so-called “open rack mounted PV modules” without a clear definition of “open-rack.” These implied restrictions and allowances meant that hotter climates or thermally restrictive installation methods may not be covered by these often customer-mandated certification standards. This is particularly salient for the significant growth regions of the Middle East and India that would be expected to operate at significantly higher temperatures. The applicability of these documents raised issues over the definition of “open rack” and the fact that the geographic location is just as important as the mounting configuration in assessing the impact of the micro-environment of a PV module. This work summarizes the scientific background for IEC Technical Specification 63126:2020 ED1, titled “Guidelines for qualifying PV modules components and materials for operation at high temperatures.” This standard was recently published by the IEC and is the first step in a systematic effort to rework these standards to address the question of temperature more directly. Instead of specifying a mounting condition, we specify different suites of tests suitable for a system (PV module, mounting style, and location) defined by the 98th percentile cell temperature. With a defined temperature regime to work from, this allowed us to use existing literature research combined with additional modeling work to determine, which tests would need to be modified. This resulted in suggested changes to material thermal indices, thermal cycling temperatures, hot spot testing, ultraviolet testing, and bypass diode testing among other tests and characteristics described in this study.

14 SOLAR ENERGY↗

CODE-TO-CODE BENCHMARK STUDY FOR THERMAL STRESS MODELING AND PRELIMINARY ANALYSIS OF THE HIGH-TEMPERATURE SINGLE HEAT PIPE EXPERIMENT

Microreactors are very small nuclear reactors with typical thermal-energy output of up to 20 MWth. The microreactor concept is gaining more and more attention for safe, robust, and reliable supply of electricity for remote locations and to meet industrial process heat needs. Heat-pipe-cooled microreactor is one of the microreactors being investigated at Idaho National Laboratory. In the heat-pipe-cooled microreactor, heat pipes remove heat from the reactor core as a passive heat-transfer device, so the fluid circulation is not required for cooling, which can substantially simplify the overall reactor design. However, given the extremely high temperatures in the core region and potentially large temperature gradients across the structure materials, thermal stresses need to be well-analyzed to ensure structural integrity during normal operations and accident scenarios for the heat-pipe-cooled microreactor designs. This paper discusses finite element method-based thermal-stress analysis for the high-temperature single heat-pipe test article in the Single Primary Heat Extraction and Removal Emulator (SPHERE) facility at Idaho National Laboratory, using two commercial software packages, Abaqus and STAR-CCM+. A code-to-code benchmark study was performed to crosscheck the model setup and capability of each code and to gain insights into the potential thermal stress concerns from the current experimental setup. It is observed the significant thermal stresses happen at the locations where the largest temperature gradients appeared between heat pipe and electric heater. The temperature fields have good agreements between Abaqus and STAR-CCM+, while the induced thermal stresses show modest deviations probably due to differences of meshing engines used in these two codes.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Improved treatment of multi-material cells in thermal radiation transport codes

High-energy-density physics simulations with non-conformal meshes of materials require a multi-material (MM) closure that affects the thermal radiation transport (TRT). We propose a set of novel closures that work for an arbitrary number of materials, both grey and multigroup energy discretizations, and any angular discretization (such as Sn, IMC, or diffusion). For each spatial cell, our closures let each species (ion and electron) of each material have its own temperature, density, and internal energy, but use a single radiation distribution that interacts with all materials within the cell. Our closures maintain energy conservation, do not incur increased computational cost in the TRT solve itself, are compatible with single-material TRT solvers, and do not make any temperature-equilibrium assumptions. Here we test our closures on a wide range of increasingly realistic problems and find them to be robust.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Oxidation Behavior of Candidate NiCr Alloys for Engine Exhaust Valves: Part I—Effect of Minor Alloying Elements

Oxidation-induced degradation of structural materials employed as exhaust valves within internal combustion engines (ICEs) will be a relevant life-limiting mechanism, in addition to creep and mechanical fatigue, due to ever-increasing severity of operating temperatures and pressures. Ni–Cr-based alloys, which form external chromia-based scales at the relevant operating temperatures are being considered as suitable candidate materials. Thermal cycling of these alloys in water vapor-containing atmospheres, such as those present during hydrocarbon fuel combustion within ICEs, can considerably influence their oxidation behavior. Here, the role of typical alloying additions such as Mn, Si, Al and Ti on the cyclic oxidation behavior of model NiCr–X (X = Mn,Si,Al,Ti) alloys exposed in dry air and air + 10% H 2 O at 800°C and 950°C was investigated. Combined additions of Mn and Si reduced scaling rates compared to binary Ni–22Cr alloys. The presence of water vapor possibly suppressed formation of NiMnCr spinel and thereby the Cr depletion in the alloy. Combined Al and Ti additions mainly resulted in accelerated oxidation kinetics due to the Ti doping of chromia scales. More porous external scales were observed in water vapor leading to a much deeper depth of nitridation in the Ni–22Cr–Al–Ti alloys.

36 MATERIALS SCIENCE↗

Re-directing mixed-feed deconstruction products to hybrid polyesters: Tolerance windows for commodity plastics reconstruction

Solvolysis is a promising strategy for mixed-feed polyester recycling, but little attention has been given to downstream product separations or the impact of using imperfectly separated monomer mixtures in recycled polymer reconstruction. Here, we challenge the traditional need for high-purity monomers in polycondensation synthesis of engineering thermoplastics. Monomer mixtures are derived from catalyzed methanolysis of polyethylene terephthalate (PET), polybutylene terephthalate (PBT), and polybutylene adipate-co-terephthalate (PBAT), with separation scenarios ranging from high (99:1) to low (90:10) purity. We focus on challenging-to-separate products like ethylene glycol and 1,4-butanediol and evaluate tolerance for comonomer incorporation in recycled hybrid polyesters: polybutylene-co-ethylene terephthalate (PBET) and polybutylene ethylene adipate-co-terephthalate (PBEAT). Evaluations are made between “contaminant” monomer incorporation, and the resulting materials’ thermal properties, crystalline structure, tensile toughness, and rheology. Ultimately, we highlight that despite incorporation of contaminant monomer, high-performance hybrid polyesters of PET, PBT, and PBAT are obtained while reducing the strain of high-throughput separations.

36 MATERIALS SCIENCE↗

Development & Validation of Low-Cost, Highly-Durable, Spinel-Based Materials for SOFC Cathode-Side Contact (Final Report)

A cathode-side contact layer is required to provide and maintain stable electrical conduction paths between the interconnect and cathode in a solid oxide fuel cell (SOFC) stack assembly and thus minimize the ohmic resistance and stack power loss. Current cathode-interconnect contact materials are based on noble metals, electrically-conductive perovskites, their composite materials, etc. These materials are either too expensive or do not possess the overall balanced performance required for the cathode-side contact application. To achieve the DOE SOFC system cost and performance stability goals, a new generation of low-cost, high-performance contact materials needs to be developed. In this project, spinel-based materials thermally converted from the Fe-Ni and Co-Mn based alloy precursors were developed and validated for the cathode-side contact application. The precursor alloy compositions were optimized via a combination of composition screening in the (Ni,Fe) 3 O 4 and (Mn,Co) 3 O 4 spinel system, alloy design using physical metallurgy principles, and cost considerations. The alloy powders with the desired composition and particle size were manufactured via gas atomization. The optimal process parameters for thermal conversion of these alloy precursor layers to a spinel-based layer were identified, i.e., 900°C x 2h in air, which is close to the initial stack firing condition. The area-specific resistances (ASRs) of the interconnect/contact/cathode test assemblies with the developed contact layer were determined for various durations (up to 5000 h) under simulated cathodic operation conditions. Some of the alloy-derived spinel contacts exhibited the lowest ASR and ASR degradation rate. The in-stack performance of the most promising alloy-derived contact layer is currently being evaluated via stack testing. To reduce the stack cost, the Co-Mn based alloy powders were utilized as the precursor for synthesis of dense spinel-based interconnect coating. By optimizing both the initial powder size/distribution and the alloy powder composition, a dense (Mn,Co) 3 O 4 -based spinel coating was achieved. Furthermore, co-sintering of the coating/contact dual-layer structure under the initial stack firing condition was realized by utilizing the tailored Co-Mn alloy precursors. Cost analysis of the developed technology indicated a total stack cost reduction of around 10.6% with the implementation of co-sintering of the interconnect coating and the contact layer during initial stack firing. Since low-cost processes such as screen printing is utilized in the precursor application and no reduction heat treatment is needed for the coating formation, the developed technology can be readily implemented at the industrial partner’s manufacturing facilities with no additional capital investment needed.

08 HYDROGEN↗

Effect and measurement of residual water in CaCl 2 intended for use as electrolyte in molten salt electrochemical processing

We report CaCl 2 has applications for electrochemical processing of nuclear materials. Thermal dehydration leads to formation of oxide ions, which are shown to react and cause precipitation of dissolved CeCl 3 that was selected as a surrogate for actinide chlorides. Thus, measurement of residual water in CaCl 2 is an essential capability. Thermogravimetric analysis (TGA) was shown to underestimate starting water concentration. Subsequent analysis of solid samples via acid–base titration and cyclic voltammetry (CV) of the molten salt yielded consistent values within 5% for residual water. Hydroxides were shown to be unstable, thus oxygen is retained as oxide ions. Thus, total water in a sample of CaCl 2 can be quantified by combining TGA with with either CV of molten salt or titration of salt samples. The importance of quantifying residual water in the salt was demonstrated by showing that cerium chloride (surrogate for actinide chlorides) will react with oxide ions in CaCl 2 to form insoluble oxides and oxychlorides.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Computational design of isotropic and anisotropic ultralow thermal conductivity polymer foams

Current state-of-the-art commercial polymer thermal insulation foam exhibits a thermal conductivity of 24 mW·m -1 ·K -1 (equivalently thermal resistivity of R-6/in.), similar to that of static air. To further optimize building energy efficiency, achieving even lower thermal conductivity is needed, which is, however, highly challenging. This paper presents computational evidence that demonstrates the feasibility of achieving an ultra-low thermal conductivity of less than 14.4 mW·m -1 ·K -1 (equivalently R-10/in.) using isotropic and anisotropic foam cell designs. For the isotropic design, we have identified analytical effective medium approximation (EMA) models within the accuracy of ±5% as finite element analysis (FEA) in predicting the effective thermal conductivity of foams with various porosities and filler gases. For the anisotropic design, we have developed and validated new EMA models against FEA in predicting the effective thermal conductivity of general anisotropic cuboids and Voronoi foams. For both isotropic and anisotropic designs, the design spaces for 18, 16, and 14.4 mW·m -1 ·K -1 (equivalently R-8, R-9 and R-10/in.) using various filler gases are obtained. It is found that polymer foams can be improved to achieve ultralow thermal conductivity by reducing CO 2 concentration, reducing radiation, increasing porosity, and using anisotropic pore geometry. In conclusion, these findings contribute to the development of highly efficient thermal insulation materials, enhancing building energy efficiency and promoting sustainable construction practices.

42 ENGINEERING↗

Temperature Homogeneity under Selective and Localized Microwave Heating in Structured Flow Reactors

Selective heating of different phases of multiphase systems via microwaves can result in energy savings and suppression of side reactions. However, materials properties and operating conditions that maximize temperature gradients are poorly understood. Here we utilize computational fluid dynamics (CFD) computations and temperature measurements in structured flow reactors (monoliths) in a monomodal microwave cavity to assess the temperature difference between the walls and the fluid and develop a simple lumped model to estimate when temperature gradients exist. We also explore the material’s thermal and electrical properties of structured reactors for isothermal catalyst conditions. We propose that CFD simulations can be used as a nonintrusive, predictive tool of temperature homogeneity. Importantly, we demonstrate that localized heating in the bed under several conditions rather than selective heating is responsible for the selectivity enhancement. Furthermore, our results indicate that structured beds made of high thermal conductivity materials avoid arcing and enable temperature homogeneity and low electrical conductivity materials allow microwaves to penetrate the domain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗