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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Hidden transport phenomena in an ultraclean correlated metal

Advancements in materials synthesis have been key to unveil the quantum nature of electronic properties in solids by providing experimental reference points for a correct theoretical description. Here, we report hidden transport phenomena emerging in the ultraclean limit of the archetypical correlated electron system SrVO 3 . The low temperature, low magnetic field transport was found to be dominated by anisotropic scattering, whereas, at high temperature, we find a yet undiscovered phase that exhibits clear deviations from the expected Landau Fermi liquid, which is reminiscent of strange-metal physics in materials on the verge of a Mott transition. Further, the high sample purity enabled accessing the high magnetic field transport regime at low temperature, which revealed an anomalously high Hall coefficient. Taken with the strong anisotropic scattering, this presents a more complex picture of SrVO 3 that deviates from a simple Landau Fermi liquid. These hidden transport anomalies observed in the ultraclean limit prompt a theoretical reexamination of this canonical correlated electron system beyond the Landau Fermi liquid paradigm, and more generally serves as an experimental basis to refine theoretical methods to capture such nontrivial experimental consequences emerging in correlated electron systems.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A robust process-structure model for predicting the joint interface structure in impact welding

The impact welding is gaining popularity in joining of dissimilar metals as any intermetallics are often very thin or discontinous with little to no heat affected zone resulting from the process. This work focuses on a recently developed impact welding technique, known as the Vaporizing Foil Actuator Welding (VFAW), which uses the pressure created from the electrically driven rapid vaporization of a thin metallic conductor to drive the flyer. A typical characteristic of an impact-welded joint is the wavy weld interface which is attributed to the complex interfacial kinematics resulting from the high-speed oblique impact of the metal plates. A numerical simulation framework based on the finite element method (FEM) with Eulerian formalism is developed to model the high-speed impact between the metal plates. The model accounts for the thermomechanical interactions in the process and captures the complex interfacial deformations. A thorough validation of the model is achieved by comparing the wave characteristics obtained from numerical simulations with the experimental results from vaporizing foil actuator welding. The amplitude and wavelength of the interfacial waves and the resulting joint microstructure is shown to be strongly dependent on the process conditions and the specific material system, which is well captured by the model.

42 ENGINEERING↗
DOE OSTI2018

Fluid-enhanced surface diffusion controls intraparticle phase transformations

Phase transformations driven by compositional change require mass flux across a phase boundary. In some anisotropic solids, however, the phase boundary moves along a non-conductive crystallographic direction. One such material is Li X FePO 4 , an electrode for lithium-ion batteries. With poor bulk ionic transport along the direction of phase separation, it is unclear how lithium migrates during phase transformations. Here, we show that lithium migrates along the solid/liquid interface without leaving the particle, whereby charge carriers do not cross the double layer. X-ray diffraction and microscopy experiments as well as ab initio molecular dynamics simulations show that organic solvent and water molecules promote this surface ion diffusion, effectively rendering Li X FePO 4 a three-dimensional lithium-ion conductor. Phase-field simulations capture the effects of surface diffusion on phase transformation. Lowering surface diffusivity is crucial towards supressing phase separation. In conclusion, this work establishes fluid-enhanced surface diffusion as a key dial for tuning phase transformation in anisotropic solids.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Restructuring in high burnup UO 2 studied using modern electron microscopy

Modern electron microscopy techniques were used to conduct a thorough study of an irradiated urania fuel pellet microstructure to attempt at an understanding of high burnup structure formation in this material. The fuel was irradiated at low power to high burnups in a light water reactor, proving ideal for this purpose. Examination of grain size and orientation with strict spatial selectivity across the fuel pellet radius allowed for capturing the progression of the restructuring process, from its onset to full completion. Based on this information, the polygonization mechanism was shown to be responsible for restructuring, involving formation of low-angle grain boundaries with their initiation occurring at the original high-angle grain boundaries of the as-fabricated pellet and at the gas bubble-matrix interfaces. As a result, the low-angle character of boundaries between the subdivided grains disappeared in the fully developed high burnup structure, likely due to creep deformation in the pellet.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Large-eddy simulation and Reynolds-averaged Navier-Stokes modeling of three Rayleigh-Taylor mixing configurations with gravity reversal

In this work, high-fidelity large-eddy simulation (LES) is performed of Rayleigh-Taylor (RT) mixing in three different configurations involving gravity reversal. In each configuration, LES results are compared with one-dimensional Reynolds-averaged Navier-Stokes (RANS) results, and a deficiency in a commonly used transport equation for the mass-flux velocity, $a_j$, is identified. In the first configuration, a classical two-component RT mixing layer is allowed to develop before it is subjected to rapid acceleration reversal. In the second configuration, a three-component RT mixing layer with an intermediate density layer is allowed to develop before being subjected to rapid acceleration reversal. Finally, in the third configuration, a light layer is interposed between two heavy layers; in this configuration, only one interface is RT-unstable at a time as it undergoes rapid acceleration reversal. In all cases, a commonly used buoyancy production closure in the $a_j$ transport equation is shown to lead to significant over-prediction of mixing layer growth after gravity reversal. An alternative formulation for this closure is then presented which is shown to more accurately capture the stabilization effect of gravity reversal.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Flexible machine-learning interatomic potential for simulating structural disordering behavior of Li 7 La 3 Zr 2 O 12 solid electrolytes

Batteries based on solid-state electrolytes, including Li 7 La 3 Zr 2 O 12 (LLZO), promise improved safety and increased energy density; however, atomic disorder at grain boundaries and phase boundaries can severely deteriorate their performance. Machine-learning (ML) interatomic potentials offer a uniquely compelling solution for simulating chemical processes, rare events, and phase transitions associated with these complex interfaces by mixing high scalability with quantum-level accuracy, provided that they can be trained to properly address atomic disorder. To this end, we report the construction and validation of an ML potential that is specifically designed to simulate crystalline, disordered, and amorphous LLZO systems across a wide range of conditions. The ML model is based on a neural network algorithm and is trained using ab initio data. Performance tests prove that the developed ML potential can predict accurate structural and vibrational characteristics, elastic properties, and Li diffusivity of LLZO comparable to ab initio simulations. As a demonstration of its applicability to larger systems, we show that the potential can correctly capture grain boundary effects on diffusivity, as well as the thermal transition behavior of LLZO. Here these examples show that the ML potential enables simulations of transitions between well-defined and disordered structures with quantum-level accuracy at speeds thousands of times faster than ab initio methods.

25 ENERGY STORAGE↗
DOE OSTI2019

Cross-scale modeling of storm surge, tide, and inundation in Mid-Atlantic Bight and New York City during Hurricane Sandy, 2012

Driven by high-resolution NAM (North America Mesoscale) and ECMWF (European Centre for Medium-Range Weather Forecasts) atmospheric fields, a 3-D unstructured grid SCHISM (Semi-implicit Cross-scale Hydroscience Integrated System Model) was applied to simulate total water level in the Mid-Atlantic Bight during Hurricane Sandy in 2012. The simulated storm surge, tide, significant wave height, and wave peak period results compared favorably with NOAA observations along US East Coast, Long Island Sound, and New York Harbor. The maximum total water level at The Battery in the New York Harbor was accurately simulated with an absolute error of less than 0.08 m (out of 2.9 m peak surge) and a timing difference less than 10 min, which includes the effects on the order of 0.1–0.3 m (5–10%) from the coastal setup induced by the surface waves. The scenario comparisons of (1) “NAM” versus “ECMWF”, (2) “2-D” versus “3-D”, and (3) “with” versus “without” wind wave model were examined. The 3-D barotropic model forced by ECMWF including the effects of wind waves performs the best, attributed to wave-induced radiation stress and reduction of bottom stress when the 3-D version is used. Simultaneously, the ELCIRC-Sub model, using a 5-m topography/bathymetry sub-grid and a regular 200-m resolution finite volume computational model grid, was developed to simulate the street-level inundation in New York City. The momentum and mass fluxes calculated by the coarser base grid model were effectively coupled with the sub-grid so that running a full-blown high-resolution base model is not required. The ELCIRC-Sub model uses MPI (Message Passing Interface) parallel computing to enlarge the coverage of the land surface and an efficient non-linear solver to improve the accuracy of the wetting-and-drying processes. The temporal comparisons of modeled water level with NOAA's tidal stations and USGS' rapid-deployed gauges showed overall performance with an average error of 0.1 m. Particularly, ELCIRC-Sub captured the profile of the highest peak surge (3.9 m), which rose 2 m within 3 hour at Kings Point, NY. The spatial comparisons of the modeled peak water level at 80 surveyed locations showed an average error less than 0.13 m. The modeled maximum inundation extent also matched well with an 80% hit rate against FEMA's Hurricane Sandy maximum flooding extent.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A Simulation Framework to Support the Deployment of Vanadium Redox Flow Batteries

This work presents a simulation framework to support Vanadium Redox Flow Batteries deployment. First, an electrical equivalent model of a commercial three-stack, 20 kW VRFB is implemented to capture the battery dynamics. Next, a topology of a power electronics-based solution to integrate a VRFB is introduced, and the effectiveness of the control system is evaluated through battery charging and discharging operation under varying conditions. The results provide insights into power and voltage levels, demonstrating that the series-connected architecture can alleviate the voltage boost on the interface power electronics converter. Additionally, efficiency and temperature-critical factors for VRFB system deployment-are also analyzed.

Rezende Da Costa Reis Kimpara, Renata [ORNL] (ORCI↗
DOE OSTI2020

Microstructure Experiments-Enabled MARMOT Simulations of SiC/SiC-based Accident Tolerant Nuclear Fuel System

We have undertaken an experimental-computational project that addresses a few key technology gaps associated with the use of SiC/SiC composites for light water reactor fuel cladding. Two principal endeavors in this project are to assess the irradiation-induced microstructural changes and swelling in SiC/SiC composites, and to characterize and model the porous oxide surface layer (when exposed to steam) along SiC recession that is detrimental to the clad integrity under accident conditions. The project tasks are: (i) ion irradiation and characterization (University of Tennessee, Knoxville), (ii) mechanical tests and analysis (University of South Carolina), (iii) steam exposure tests (Oak Ridge National Laboratory), (iv) electron microscopy and spectroscopic characterization (NC State University), (v) x-ray microscopy and reconstruction (University of South Carolina and NC State University), (vi) phase field modeling and simulations (NC State University and Idaho National Laboratory). The effects of 10 MeV Au ion irradiation at 350°C on the microstructure evolution in SiC/SiC composites are investigated at doses up to 400 displacements per atom (dpa) at the University of Tennessee, Knoxville. Atomic force microscopy and optical profilometry reveal irradiation induced axial and radial shrinkage of the fibers for doses greater than 10 dpa. Based on detailed electron microscopy characterization, the primary cause of the fiber shrinkage is attributed to irradiation-induced loss of carbon packets. Additionally, the multilayer PyC interface is observed to portray high resistance to irradiation damage. The mechanical response and failure mechanisms of un-irradiated samples is also assessed through loading tests and X-ray imaging at the University of South Carolina. Steam exposure tests are performed at the Oak Ridge National Laboratory in a facility that represents a reactor pressure vessel under a loss-of-coolant-accident scenario. The samples that are analyzed methodically in this report are tested for 32/31 hours at 1200°C with a velocity of 0.25 cm/s for the pressures: 0.1 MPa, 0.45 MPa, 0.92 MPa and 1.38 MPa. Scanning/transmission electron microscopy analysis conducted at the NC State University (NCSU) shows that the oxide layer thickness increases with the steam pressure. While the oxide layer is crystalline (α- cristobalite) for the pressures 0.45 MPa, 0.92 MPa and 1.38 MPa, the layer is amorphous at 0.1 MPa. Results from Raman spectroscopy have also confirmed the formation of α-cristobalite phase of SiO₂. The abrupt increase in the integrated Raman intensity ratio between steam pressures 0.1 and 0.45 MPa suggests the onset of accelerated crystallization. Non-destructive three dimensional X-ray microscopy/tomography (XCT) and computational image processing techniques are employed by the University of South Carolina to probe the porous oxidation features on SiC samples at varying pressures. Interestingly, most pores are observed to be located away from the surface as well as the oxide-SiC interface. The average oxide layer thickness assessed from the XCT analysis is seen to be in excellent agreement with the values determined through scanning electron microscopy analysis for the highest pressures where the oxide layer is relatively more uniform. A phase-field model developed by the NC State University and Idaho National Laboratory for simulating oxidation of SiC by steam captures the paralinear kinetics of SiC oxidation with a high degree of fidelity. Results from quasi-one-dimensional and two dimensional simulations show that the pores with oxidizing species lead to a higher volatilization rate. These simulations indicate that the enhanced apparent volatilization rates at higher pressures observed in experiments can be rationalized by the increased volatilization from the pores. The project team has also successfully developed the capability to import images from experiments for realistic evolution of the oxidizing microstructure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Fabricating Reactive Surfaces with Brush-like and Crosslinked Films of Azlactone-Functionalized Block Co-Polymers

Here in this work, fabrication methods that generate novel surfaces using the azlactone-based block co-polymer, poly (glycidyl methacrylate)-block-poly (vinyl dimethyl azlactone) (PGMA-b-PVDMA), are presented. Due to the high reactivity of azlactone groups towards amine, thiol, and hydroxyl groups, PGMA-b-PVDMA surfaces can be modified with secondary molecules to create chemically or biologically functionalized interfaces for a variety of applications. Previous reports of patterned PGMA-b-PVDMA interfaces have used traditional top-down patterning techniques that generate non-uniform films and poorly controlled background chemistries. Here, we describe customized patterning techniques that enable precise deposition of highly uniform PGMA-b-PVDMA films in backgrounds that are chemically inert or that have biomolecule-repellent properties. Importantly, these methods are designed to deposit PGMA-b-PVDMA films in a manner that completely preserves azlactone functionality through each processing step. Patterned films show well-controlled thicknesses that correspond to polymer brushes (~90 nm) or to highly crosslinked structures (~1-10 μm). Brush patterns are generated using either the parylene lift-off or interface directed assembly methods described and are useful for precise modulation of overall chemical surface reactivity by adjusting either the PGMA-b-PVDMA pattern density or the length of the VDMA block. In contrast, the thick, crosslinked PGMA-b-PVDMA patterns are obtained using a customized micro-contact printing technique and offer the benefit of higher loading or capture of secondary material due to higher surface area to volume ratios. Lastly, detailed experimental steps, critical film characterizations, and trouble-shooting guides for each fabrication method are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Affordable Estimation of Solvation Contributions to the Adsorption Energies of Oxygenates on Metal Nanoparticles

Electrocatalysts are mainly characterized by their intrinsic adsorption properties. However, the observed electrocatalytic activity ultimately results from the interplay between such properties and various additional interactions within the electrified solid–liquid interface. One of such phenomena is solvation, which can substantially affect the stability of adsorbates. The incorporation of solvation in computational electrocatalysis models can be fully implicit (inaccurate for H-bonded adsorbates), fully explicit (challenging computation of free energies), or embedded. Here, we show that without any need for explicit or implicit media, a microsolvation approach with just three water molecules captures the contribution of co-adsorbed water to the adsorption energies of *OH and *OOH (two important adsorbates for oxygen reduction) on platinum nanoparticles of various sizes. The approach enables an accurate yet inexpensive explicit modeling of solvent–adsorbate interactions in nanoparticles and the calculation of solvation corrections, estimated as -0.59 ± 0.14 and -0.47 ± 0.13 eV for *OH and *OOH adsorption on Pt, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Mesoscopic critical fluctuations

Here, we investigate the magnetic fluctuations in a mesoscopic critical region formed at the interface due to smooth time-independent spatial variations of a control parameter around its critical value. In the proximity of the spatial critical point, the order parameter fluctuations exhibit a mesoscopic nature, characterized by their significant size compared to the lattice constant, while gradually decaying away from the critical region. To explain this phenomenon, we present a minimal model that effectively captures this behavior and demonstrates its connection to the integrable Painlevé-II equation governing the local order parameter. By leveraging the well-established mathematical properties of this equation, we gain valuable insights into the nonlinear susceptibilities exhibited within this region.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Development of Preliminary VERA-CS Crud Induced Localized Corrosion Modeling Capability

The objective of this milestone was to develop a crud-induced localized corrosion (CILC) screening capability in VERA-CS using existing codes and capabilities that had been developed in the Consortium for Advanced Simulation of Light Water Reactors (CASL) as part of the efforts to resolve the crud challenge problem. The milestone work focused on improving existing CASL software and implementing clad corrosion modeling into VERA-CS. Clad corrosion modeling was implemented by creating an application interface (API) in the Cicada software so that its clad heat transfer and corrosion models could be used in VERA-CS. Cicada was coupled to the subchannel code CTF for solving crud and corrosion growth. Additionally, a clad corrosion model was added directly to CTF to serve as an alternate approach. The rod thermal hydraulic reconstruction (ROTHCON) process, which is used for capturing computational fluid dynamics (CFD)-predicted rod-surface heat and turbulence behavior that can impact crud-induced power shift (CIPS) and CILC prediction, was also implemented into VERA-CS. Usability improvements were made to this feature, which was developed over several previous milestones, so that the VERA-CS user can link spacer grids in a VERA-CS model to an applicable pregenerated spacer grid data file if available. Several assessments were performed to demonstrate the proper functioning of the new capability. Sensitivity studies were performed to demonstrate the effect of crud lithium content, oxide thermal conductivity, Cicada mesh refinement, and ROTHCON coupling mesh refinement on predicted amounts of crud and oxide growth. A full-scale demonstration was performed by running Seabrook Cycle 5 with the CILC capability. Some general observations were made from the assessments. It was observed that predicted corrosion thickness is less than anticipated for CILC cases, so further work is needed to better understand and improve the corrosion modeling. Refining the coupling mesh in the ROTHCON process leads to increased corrosion and crud thickness, which can affect where crud and corrosion grow, how thick it gets, and how many rods experience crud and corrosion growth. Results indicate that applying the ROTHCON process and refining the coupling mesh leads to only a slight increase in total core maximum crud and corrosion thickness, but it leads to a significant increase in the number of rods with a maximum thickness that surpasses a set threshold value (i.e., more rods grow thicker corrosion and crud). Computational performance of the simulation is degraded by a factor of 5{6 with high coupling mesh refinement. The impact of the ROTHCON coupling mesh refinement on total core crud mass is less significant; however, using the ROTHCON process with CFD-generated data over the Yao{Hochreiter{Leech (YHL) model in CTF leads to significantly different amounts of total core crud mass. Future work on the CILC screening capability will include model improvement and validation, development and testing of a CILC-risk screening criteria, and performance improvements.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Influence of misfit dislocations on ionic conductivity at oxide interfaces

Mismatched complex oxide thin films and heterostructures have gained significant traction for use as electrolytes in intermediate temperature solid oxide fuel cells, wherein interfaces exhibit variation in ionic conductivity as compared to the bulk. Although misfit dislocations present at interfaces in these structures impact ionic conductivity, the fundamental mechanisms responsible for this effect are not well understood. To this end, a kinetic lattice Monte Carlo (KLMC) model was developed to trace oxygen vacancy diffusion at misfit dislocations in SrTiO 3 /BaZrO 3 heterostructures and elucidate the atomistic mechanisms governing ionic diffusion at oxide interfaces. The KLMC model utilized oxygen vacancy migration energy barriers computed using molecular statics. While some interfaces promote oxygen vacancy diffusion, others impede their transport. Fundamental factors such as interface layer chemistry, misfit dislocation structure, and starting and ending sites of migrating ions play a crucial role in oxygen diffusivity. Molecular dynamics (MD) simulations were further performed to support qualitative trends for oxygen vacancy diffusion. Overall, the agreement between KLMC and MD is quite good, though MD tends to predict slightly higher conductivities, perhaps a reflection of nuanced structural relaxations that are not captured by KLMC. The current framework comprising KLMC modeling integrated with molecular statics offers a powerful tool to perform mechanistic studies focused on ionic transport in thin film oxide electrolytes and facilitate their rational design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Separated reactant mix width across diffusion-dominated and hydrodynamically dominated interface mix in inertial confinement fusion implosions

Diffusion-dominated mix in inertial confinement fusion (ICF) is characterized where the majority of the mix occurs in the immediate fuel-shell interface while hydrodynamic-dominated mix pulls shell material from farther away into the central fuel. A thin (150 nm) separated reactants ICF mix platform is highly sensitive to the amount of mix from the first micron of shell-fuel interface. This fine-spatial resolution platform has revealed that material mix in moderate convergence ( CR ∼ 12 ) ICF implosions is dominated by a diffusion mechanism. This technique has now been expanded across a set of OMEGA ICF implosions, observing an increase in mix width and mix amount for cooler, slower, and more compressive implosions. Hydrodynamic simulations require a buoyancy-drag mix model to capture the increasing mix width, suggesting a transition between these two mix mechanisms. Published by the American Physical Society 2024

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Transuranic waste management at Sandia National Laboratories

This paper documents the history of the TRU program at Sandia, previous and current activities associated with TRU material and waste, interfaces with other TRU waste generator sites and the Waste Isolation Pilot Plan (WIPP), and paths forward for TRU material and waste. This document is a snapshot in time of the TRU program and should be updated as necessary, or when significant changes have occurred in the Sandia TRU program or in the TRU regulatory environment. This paper should serve as a roadmap to capture past TRU work so that efforts are not repeated and ground is not lost due to future inactivity and personnel changes.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Open-Source Data Analysis Tool for Spectral Small-Angle X-ray Scattering Using Spectroscopic Photon-Counting Detector

Spectral small-angle X-ray scattering (sSAXS) is a powerful technique for material characterization from thicker samples by capturing elastic X-ray scattering data in angle- and energy-dispersive modes at small angles. This approach is enabled by the use of a 2D spectroscopic photon-counting detector that provides energy and position information of scattered photons when a sample is irradiated by a polychromatic X-ray beam. Here, we describe an open-source tool with a graphical interface for analyzing sSAXS data obtained from a 2D spectroscopic photon-counting detector with a large number of energy bins. The tool takes system geometry parameters and raw detector data to output 1D scattering patterns and a 2D spatially-resolved scattering map in the energy range of interest. We validated these features using data from samples of caffeine powder with well-known scattering peaks. This open-source tool will facilitate sSAXS data analysis for various material characterization applications.

Chemistry↗
DOE OSTI2018

Improving accuracy of electrochemical capacitance and solvation energetics in first-principles calculations

Here, reliable first-principles calculations of electrochemical processes require accurate prediction of the interfacial capacitance, a challenge for current computationally efficient continuum solvation methodologies. We develop a model for the double layer of a metallic electrode that reproduces the features of the experimental capacitance of Ag(100) in a non-adsorbing, aqueous electrolyte, including a broad hump in the capacitance near the potential of zero charge and a dip in the capacitance under conditions of low ionic strength. Using this model, we identify the necessary characteristics of a solvation model suitable for first-principles electrochemistry of metal surfaces in non-adsorbing, aqueous electrolytes: dielectric and ionic nonlinearity, and a dielectric-only region at the interface. The dielectric nonlinearity, caused by the saturation of dipole rotational response in water, creates the capacitance hump, while ionic nonlinearity, caused by the compactness of the diffuse layer, generates the capacitance dip seen at low ionic strength. We show that none of the previously developed solvation models simultaneously meet all these criteria. We design the nonlinear electrochemical soft-sphere solvation model which both captures the capacitance features observed experimentally and serves as a general-purpose continuum solvation model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗