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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

High‐Throughput Evaluation of Hardening Coefficients of Eight Alloying Elements in Magnesium

Liquid–solid diffusion couples (LSDCs) are employed to generate a composition gradient in the single‐phase hexagonal closed‐packed (hcp) solid solution with compositions up to the solubility limit of various solutes in Mg. Nanoindentation scanning across the composition gradient in LSDCs allows effective evaluation of composition‐dependent hardness of eight alloying elements (Al, Ca, Ce, Gd, Li, Sn, Y, and Zn) in the hcp Mg phase. The hardening coefficients, an indicator of the potency of solid‐solution hardening, are evaluated from the measured composition‐hardness data and correlated with various materials properties such as atomic radius, shear modulus, and elastic modulus of the solutes. The rank of hardening potency of Al, Gd, Sn, Y, and Zn measured by nanoindentation is in good agreement with that measured by microindentation reported in the literature. The hardening coefficient (potency) from the strongest to the weakest is Ce > Ca > Y ≈ Gd > Zn > Al ≈ Sn > Li in Mg‐based hcp binary solid solutions. The hardening coefficient is found to be closely correlated with the strengthening potency.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Excellent cycling stability of sodium anode enabled by a stable solid electrolyte interphase formed in ether-based electrolytes

Sodium (Na)-ion batteries have been considered as one of the most promising power sources beyond Li-ion batteries. Although Na metal anode exhibits a high theoretical capacity of 1165 mAh g-1, its application on Na batteries is largely hindered by dendrite growth and low Coulombic efficiency. Herein, we demonstrate that an electrolyte consists of 1 M sodium tetrafluoroborate in Tetraglyme can enable excellent cycling efficiency (99.9 %) of Na metal anode for more than 1000 cycles. This high reversibility of Na anode can be attributed to a stable solid electrolyte interphase formed on Na surface as revealed by cryogenic transmission electron microscopy and X-ray photoelectron spectroscopy. These electrolytes also enabled excellent cycling stability of Na||hard carbon cells and Na||Na2/3Co1/3Mn2/3O2 cells at high rate with very high coulombic efficiencies.

sodium metal, TEGDME, solid electrolyte interphase↗
DOE OSTI2022

Exploring Functional Materials by Understanding Beam‐Sample Interactions

Abstract Ultra‐low‐dose electron diffraction is performed with a double metal cyanide catalyst (DMC) to understand how electron irradiation stimulates structural alterations in functional materials. The commonly fading diffraction patterns with dose accumulation depend on the irradiated area and the beam current even when below 50 femto Amperes. Heat generation is observed and modeled by statistical, inelastic scattering events to describe how phonon excitations modulate radiation hardness. Specifically, the characteristic 1/e‐decay of Bragg intensities from DMC is delayed from 6 to 30 eÅ −2 at room temperature, which is comparable to the effect of embedding radiation soft matter in ice. DMC's radiation hardness is enhanced by a latency dose that forms during a phase transformation. This unifying model predicts that a critical dose rate exists for any material that varies between 0.1 and 10 4 eÅ −2 s −1 because of a material dependent competition of heat generation and spread. It shows that Brillouin scattering causes time dependent perturbations in electron irradiated solids that trigger time‐temperature‐transformations on a time scale of nanoseconds to microseconds at room temperature, which is not included in traditional models describing the decay of Bragg intensities by radiolysis.

Kisielowski, Christian↗
DOE OSTI2020

Enabling 6C Fast Charging of Li–Ion Batteries with Graphite/Hard Carbon Hybrid Anodes

Li-ion batteries that can simultaneously achieve high-energy density and fast charging are essential for electric vehicles. Graphite anodes enable a high-energy density, but suffer from an inhomogeneous reaction current and irreversible Li plating during fast charging. In contrast, hard carbon exhibits superior rate performance but lower energy density owing to its lower initial coulombic efficiency and higher average voltage. In this work, these tradeoffs are overcome by fabricating hybrid anodes with uniform mixtures of graphite and hard carbon, using industrially-relevant multi-layer pouch cells (>1 Ah) and electrode loadings (3 mAh cm –2 ). By controlling the graphite/hard carbon ratio, this study shows that battery performance can be systematically tuned to achieve both high-energy density and efficient fast charging. Pouch cells with optimized hybrid anodes retain 87% and 82% of their initial specific energy after 500 cycles of 4C and 6C fast-charge cycling, respectively. This is significantly higher than the 61% and 48% specific energy retention with graphite anodes under the same conditions. The enhanced performance is attributed to improved homogeneity of the reaction current throughout the hybrid anode, which is supported by continuum-scale modeling. Furthermore, this process is directly compatible with existing roll-to-roll battery manufacturing, representing a scalable pathway to fast charging.

25 ENERGY STORAGE↗
DOE OSTI2023

Earthquake-induced impact of base-isolated buildings: theory, numerical modeling, and design solutions

Earthquake shaking more intense than that used to size the horizontal clearance between a base–isolated building and near–rigid perimeter moat wall will result in hard impact, producing high–frequency, high–amplitude acceleration response in the structure and supported equipment. Herein this paper provides a design solution for the damaging effects of hard impact by installing a compliant engineered element in the load path between the base–isolated building and the moat wall, resulting in soft impact and a much smaller acceleration response. The engineered element assumed herein is a commercial–off–the–shelf marine fender with mechanical properties determined by physical testing. The attachment of a flexible engineered element, with well–defined stiffness and damping, to a near–rigid moat wall, simplifies the numerical modeling of the building–moat wall system and eliminates the need to bound the lateral stiffness of the wall for impact calculations. The simple model of the engineered element can be implemented in commercial finite element codes. Theory is developed for two–sided impact of a single–degree–of–freedom oscillator. Analytical solutions are derived for the shifted first–mode frequency of the impacted oscillator and for its free–vibration response. The shifted first–mode frequency is a function of the composite lateral stiffness of the isolator–engineered element assembly and its earthquake–induced displacement. Local peaks in the spectral response of the impacted oscillator form at odd integer multiples of the shifted first–mode frequency. The analytical solutions can be used to verify, in part, the numerical model used for impact analysis.

42 ENGINEERING↗
DOE OSTI2020

Sampling and resolution characteristics in reduced order models of shallow water equations: Intrusive vs nonintrusive

We investigate the sensitivity of reduced order models (ROMs) to training data spatial resolution as well as sampling rate. In particular, we consider proper orthogonal decomposition (POD), coupled with Galerkin projection (POD-GP), as an intrusive reduced order modeling technique. For non-intrusive ROMs, we consider two frameworks. The first is using dynamic mode decomposition (DMD), and the second is based on artificial neural networks (ANNs). For ANN, we utilized a residual deep neural network, and for DMD we have studied two versions of DMD approaches; one with hard thresholding and the other with sorted bases selection. Also, we highlight the differences between mean-subtracting the data (centering) and using the data without mean-subtraction. We tested these ROMs using a system of 2D shallow water equations for four different numerical experiments, adopting combinations of sampling rates and spatial resolutions. For these cases, we found that the DMD basis obtained with hard threshodling is sensitive to sampling rate. The sorted DMD algorithm helps to mitigate this problem and yields more stabilized and converging solution. Furthermore, we demonstrate that both DMD approaches without mean subtraction provide significantly more accurate results than DMD with mean-subtracting the data. On the other hand, POD is relatively insensitive to sampling rate and yields better representation of the flow field. Meanwhile, spatial resolution has little effect on both POD and DMD performances. Here, the numerical results reveal that an ANN on POD subspace (POD-ANN) performs remarkably better than POD-GP and DMD in capturing system dynamics, even with a small number of modes.

42 ENGINEERING↗
DOE OSTI2024

A prototype scintillator real‐time beam monitor for ultra‐high dose rate radiotherapy

Background: FLASH Radiotherapy (RT) is an emergent cancer RT modality where an entire therapeutic dose is delivered at more than 1000 times higher dose rate than conventional RT. For clinical trials to be conducted safely, a precise and fast beam monitor that can generate out-of-tolerance beam interrupts is required. This paper describes the overall concept and provides results from a prototype ultra-fast, scintillator-based beam monitor for both proton and electron beam FLASH applications. Purpose: A FLASH Beam Scintillator Monitor (FBSM) is being developed that employs a novel proprietary scintillator material. The FBSM has capabilities that conventional RT detector technologies are unable to simultaneously provide: (1) large area coverage; (2) a low mass profile; (3) a linear response over a broad dynamic range; (4) radiation hardness; (5) real-time analysis to provide an IEC-compliant fast beam-interrupt signal based on true two-dimensional beam imaging, radiation dosimetry and excellent spatial resolution. Methods: The FBSM uses a proprietary low mass, less than 0.5 mm water equivalent, non-hygroscopic, radiation tolerant scintillator material (designated HM: hybrid material) that is viewed by high frame rate CMOS cameras. Folded optics using mirrors enable a thin monitor profile of ∼10 cm. A field programmable gate array (FPGA) data acquisition system generates real-time analysis on a time scale appropriate to the FLASH RT beam modality: 100–1000 Hz for pulsed electrons and 10–20 kHz for quasi-continuous scanning proton pencil beams. An ion beam monitor served as the initial development platform for this work and was tested in low energy heavy-ion beams ( 86 Kr +26 and protons). A prototype FBSM was fabricated and then tested in various radiation beams that included FLASH level dose per pulse electron beams, and a hospital RT clinic with electron beams. Results: Results presented in this report include image quality, response linearity, radiation hardness, spatial resolution, and real-time data processing. Furthermore, the HM scintillator was found to be highly radiation damage resistant. It exhibited a small 0.025%/kGy signal decrease from a 216 kGy cumulative dose resulting from continuous exposure for 15 min at a FLASH compatible dose rate of 237 Gy/s. Measurements of the signal amplitude versus beam fluence demonstrate linear response of the FBSM at FLASH compatible dose rates of >40 Gy/s. Comparison with commercial Gafchromic film indicates that the FBSM produces a high resolution 2D beam image and can reproduce a nearly identical beam profile, including primary beam tails. The spatial resolution was measured at 35–40 µm. Tests of the firmware beta version show successful operation at 20 000 Hz frame rate or 50 µs/frame, where the real-time analysis of the beam parameters is achieved in less than 1 µs. Conclusions: The FBSM is designed to provide real-time beam profile monitoring over a large active area without significantly degrading the beam quality. A prototype device has been staged in particle beams at currents of single particles up to FLASH level dose rates, using both continuous ion beams and pulsed electron beams. Using a novel scintillator, beam profiling has been demonstrated for currents extending from single particles to 10 nA currents. Radiation damage is minimal and even under FLASH conditions would require ≥50 kGy of accumulated exposure in a single spot to result in a 1% decrease in signal output. Beam imaging is comparable to radiochromic films, and provides immediate images without hours of processing. Real-time data processing, taking less than 50 µs (combined data transfer and analysis times), has been implemented in firmware for 20 kHz frame rates for continuous proton beams.

2D beam imaging↗
DOE OSTI2022

A Fish Out of Basin: Increased Stress Physiology and Reduced Performance of Salmon River Hatchery Chinook Salmon

Abstract Variation in rearing conditions across hatcheries and basins can affect the performance of hatchery salmonids in the wild. In 2008, the Shoshone-Bannock Tribes began planning an out-of-basin hatchery facility on the eastern Snake River Plain for rearing threatened Chinook Salmon Oncorhynchus tshawytscha for release in tributaries of the upper Salmon River, Idaho, USA. To help determine the viability of the planned out-of-basin hatchery, we reared 100,000 juvenile Chinook Salmon from the same genetic stock at one in-basin (Sawtooth Fish Hatchery on the Salmon River) and one out-of-basin (Springfield Fish Hatchery on the Snake River Plain) site in Idaho that are characterized by significant differences in water hardness and temperature regime. In October 2018 and April 2019, we tested whether fish condition, stress physiology, acute mortality, and downstream survival differed between the two groups at the parr and smolt life stages upon release in the Yankee Fork Salmon River, which is characterized by low water hardness. For both release groups, parr experienced low acute mortality during the 48 h after release; however, the out-of-basin group had a downstream survival rate through an unimpounded portion of the migration corridor that was an order of magnitude lower than that for the in-basin group. During the smolt release, the out-of-basin group showed signs of extreme physiological stress, acute mortality rates of 40–80%, and low survival in the unimpounded portion of the migratory corridor. The in-basin group recovered from the stress of transport and release, had no acute mortality, and survived through the unimpounded migratory corridor at a rate comparable to that of previous years’ releases. Based on the results of this comparative study, comanagers are evaluating alternatives to the proposed out-of-basin hatchery program. This case study highlights the effects of differences between rearing and release conditions on salmon physiology and survival as well as the value of conducting preliminary evaluations prior to implementing large-scale hatchery supplementation programs.

Ebel, Jonathan D.↗
DOE OSTI2020

An anisotropic viscoplasticity model for shale based on layered microstructure homogenization

Viscoplastic deformation of shale is frequently observed in many subsurface applications. Many studies have suggested that this viscoplastic behavior is anisotropic—specifically, transversely isotropic—and closely linked to the layered composite structure at the microscale. In this work, we develop a two-scale constitutive model for shale in which anisotropic viscoplastic behavior naturally emerges from semianalytical homogenization of a bilayer microstructure. The microstructure is modeled as a composite of soft layers, representing a ductile matrix formed by clay and organics, and hard layers, corresponding to a brittle matrix composed of stiff minerals. This layered microstructure renders the macroscopic behavior anisotropic, even when the individual layers are modeled with isotropic constitutive laws. Using a common correlation between clay and organic content and magnitude of creep, we apply a viscoplastic modified Cam-Clay plasticity model to the soft layers, while treating the hard layers as a linear elastic material to minimize the number of calibration parameters. We then describe the implementation of the proposed model in a standard material update subroutine. The model is validated with laboratory creep data on samples from three gas shale formations. We also demonstrate the computational behavior of the proposed model through simulation of time-dependent borehole closure in a shale formation with different bedding plane directions.

58 GEOSCIENCES↗
DOE OSTI2021

On the Equilibrium Electrostatic Potential and Light-Induced Charge Redistribution in Halide Perovskite Structures

Lead halide perovskites are semiconductor materials which are employed as nonintentionally doped absorbers inserted between two selective carrier transport layers (SCTL), realizing a p-i-n or n-i-p heterojunction. In our study, we have developed and investigated a lateral device, based on methylammonium lead iodide (MAPbI3) in which the p-i-n heterojunction develops in the horizontal direction. Our research suggests that the effective doping level in the MAPbI3 film should be very low, below 1012 cm-3. Along the vertical direction, this doping level is not enough to screen the electric field of the buried heterojunction with the SCTL. The perovskite work function is therefore affected by the work function of the SCTL underneath. From drift-diffusion simulations, we show that intrinsic perovskite-SCTL structures develop mV range surface photovoltages (SPVs) under continuous illumination. However, perovskite-SCTL structures can develop SPVs of hundreds of mV, as confirmed by our measurements. We therefore analyzed the compatibility between low doping and low defect densities in the perovskite layer and such high SPV values using numerical modeling. It is shown that these high SPV values could originate from electronic processes due to large band offsets in the buried perovskite-SCTL heterojunctions, or at the SCTL-transparent conductive oxide (TCO) buried heterojunction. However, such electronic processes can hardly explain the long SPV persistence after switching off the illumination.

defects↗
DOE OSTI2023

Evaluation of Neutron-Radiation Tolerance of Lithium Indium Diselenide Semiconductors

Herein we discuss lithium indium diselenide (LISe) as a semiconductor that holds promise for neutron imaging sensor technologies because of its high neutron absorption efficiency and its corresponding ability to discriminate between gamma rays and neutrons. However, being a semiconductor, LISe may not be sufficiently radiation hard for practical application in radiation hard environments. Therefore, a systematic evaluation of the changes in material and electronic properties of LISe after high neutron fluence exposures is investigated. Herein, the characterization methods are utilized which included UV–vis, X-ray diffraction, radioluminescence, Raman, fourier transform infrared spectroscopy (FTIR), current–voltage, and neutron sensing. Characteristics of LISe material that appeared in the literature are identified herein along with several that are expected to appear based on theoretical analyses. The results obtained show clear changes in the material properties of LISe after neutron exposure up to a fluence of 10 16 n cm -2 . However, LISe is still able to sense neutrons above the background at 10 16 n cm -2 , suggesting that LISe may be suitable for use in neutron imaging sensors at neutron imaging facilities.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Machine Learning Approach to Quantitative Analysis of Enamel Microstructure from Scanning Electron Microscopy Images

Dental enamel, the outermost tissue of mammalian teeth, must withstand a lifetime of wear and cyclic contact. To meet this demand, enamel possesses a combination of high hardness and resistance to fracture, properties that are typically mutually exclusive. The impressive damage tolerance has been attributed largely to decussation of the enamel rods, the principal unit of its microstructure. As such, enamel is inspiring the design of next‐generation structural materials. However, quantitative descriptions of the decussated enamel rod microstructure remain limited due to challenges encountered in applying computed tomography and in acquiring quality images appropriate for traditional digital processing methods. Here, a machine learning segmentation method is applied to images of the enamel obtained using scanning electron microscopy to support quantitative analysis of the microstructure. A pretrained convolutional neural network is used to expand the input training image dataset to allow the training of a random forest classifier, which ultimately segments the image with a very small training set ( n = 3 images). A validation of this segmentation method is presented, in addition to its application to calculate relevant microstructural parameters for images of tooth enamel from selected mammalian species. The methodology applied here is equally applicable to other hard tissues.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Formation of the {gamma}ʹʹʹ-Ni2(Cr, Mo, W) phase during a two-step aging heat treatment in HAYNES® 244® Alloy

Precipitation hardening is the dominant method of achieving high strength in most Ni-based superalloys. The formation of nanoscale precipitates during thermal exposure is often studied to determine the optimal methods of attaining high strength. The commercial Ni-based superalloy, HAYNES® 244® alloy, is strengthened through a novel -Ni2(Cr, Mo, W) intermetallic phase that forms during a two-step aging cycle. The precipitation kinetics of this intermetallic phase are sluggish for single-step aging in comparison to the γʹ phase in precipitation-strengthened Ni-based alloys, but a two-step aging treatment has shown to reliably harden the alloy and improve high-temperature properties compared to a single-step aging heat treatment. To investigate the formation and coarsening of this phase, heat-treated samples of the 244 alloy were analyzed with high-energy in situ and ex situ X-ray techniques such as small angle X-ray scattering and wide angle X-ray scattering as well as Vickers micro-hardness, electron microscopy, and atom probe tomography. The relationship between hardness, aging parameters, and microstructure evolution is discussed. The enthalpy of formation and precipitate solvus temperature were determined with high-temperature differential scanning calorimetry and dilatometry analysis.

Ni-based Superalloys↗
DOE OSTI2022

First saturation correction in high energy proton-nucleus collisions. Part III. Ensemble averaging

In high energy proton-nucleus collisions, the gluon saturation effects from the nucleus are fully incorporated into the light-like Wilson lines. The gluon saturation effects from the proton, which are anticipated to be important either in the extreme high energy limit or towards the dense-dense (nucleus-nucleus) collision regimes, have been studied perturbatively within the Color Glass Condensate effective theory in previous papers of this series. A configuration-by-configuration expression for the single inclusive semi-hard gluon production including the first saturation correction was obtained. In this paper, we perform ensemble averaging in the McLerran-Venugopalan model and the Dipole Approximation. We find that, in the saturation correction, the effects of the initial state interactions are negligible while the final state interactions play most important role and give a positive-valued contribution to the semi-hard gluon spectrum. Furthermore, we show that the single gluon spectrum scales approximately 1/$k$$^{4}_{⊥}$ at small k ⊥ , suggesting that a resummation of higher order saturation corrections is required to regulate the infrared region of the gluon spectrum.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Gluon transverse-momentum-dependent distributions from large-momentum effective theory

We demonstrate that gluon transverse-momentum-dependent parton distribution functions (TMDPDFs) can be extracted from lattice calculations of appropriate Euclidean correlations in large-momentum effective theory (LaMET). Based on perturbative calculations of gluon unpolarized and helicity TMDPDFs, we present a matching formula connecting them and their LaMET counterparts, where the latter are renormalized in a scheme facilitating lattice calculations and converted to the $\overline{MS}$ scheme. The hard matching kernel is given up to one-loop level. We also show that the perturbative result is independent of the prescription used for the pinch-pole singularity in the relevant correlations. Our results offer a guidance for the extraction of gluon TMDPDFs from lattice simulations, and have the potential to greatly facilitate perturbative calculations of the hard matching kernel.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Renormalon cancellation and linear power correction to threshold-like asymptotics of space-like parton correlators

Abstract In this paper, we show that the common hard kernel of double-log-type or threshold-type factorization for certain space-like parton correlators that arise in the context of lattice parton distributions, theheavy-light Sudakov hard kernel, has linear infrared (IR) renormalon. We explicitly demonstrate how this IR renormalon correlates with ultraviolet (UV) renormalons of next-to-leading power operators in two explicit examples: threshold asymptotics of space-like quark-bilinear coefficient functions and transverse momentum dependent (TMD) factorization of quasi wave function amplitude. Theoretically, the pattern of renormalon cancellation complies with general expectations to marginal asymptotics in the UV limit. Practically, this linear renormalon explains the slow convergence of imaginary parts observed in lattice extraction of the Collins-Soper kernel and signals the relevance of next-to-leading power contributions. Fully factorized, fully controlled threshold asymptotic expansion for space-like quark-bilinear coefficient functions in coordinate and moment space has also been proposed.

Physics↗
DOE OSTI2024

Multicollinear singularities in celestial CFT

The purpose of this paper is to study the holomorphic multicollinear limit of (celestial) amplitudes and use it to further investigate the double residue condition for (hard celestial) amplitudes and the celestial operator product expansion. We first set up the notion of holomorphic multicollinear limits of amplitudes and derive the 3-collinear splitting functions for Yang-Mills theory, Einstein gravity, and massless ϕ 3 theory. In particular, we find that in ϕ 3 theory the celestial 3-OPE contains a term with a branch cut. This explicit example confirms that branch cuts can obstruct the double residue condition for hard celestial amplitudes, which is the underlying cause of the celestial Jacobi identities not holding for certain theories. This addresses an ongoing debate in the literature about associativity of the celestial OPEs and concretely demonstrates a new (multi-particle) term in the celestial OPE coming from the multi-particle channel in the amplitudes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Dark Matter searches with photons at the LHC

We unveil blind spot regions in dark matter (DM) direct detection (DMDD), for weakly interacting massive particles with a mass around a few hundred GeV that may reveal interesting photon signals at the LHC. We explore a scenario where the DM primarily originates from the singlet sector within the Z 3 -symmetric Next-to-Minimal Supersymmetric Standard Model (NMSSM). A novel DMDD spin-independent blind spot condition is revealed for singlino-dominated DM, in cases where the mass parameters of the higgsino and the singlino-dominated lightest supersymmetric particle (LSP) exhibit opposite relative signs (i.e., κ < 0), emphasizing the role of nearby bino and higgsino-like states in tempering the singlino-dominated LSP. Additionally, proximate bino and/or higgsino states can act as co-annihilation partner(s) for singlino-dominated DM, ensuring agreement with the observed relic abundance of DM. Remarkably, in scenarios involving singlino-higgsino co-annihilation, higgsino-like neutralinos can distinctly favor radiative decay modes into the singlino-dominated LSP and a photon, as opposed to decays into leptons/hadrons. In exploring this region of parameter space within the singlino-higgsino compressed scenario, we study the signal associated with at least one relatively soft photon alongside a lepton, accompanied by substantial missing transverse energy (E T ) and a hard initial state radiation jet at the LHC. In the context of singlino-bino co-annihilation, the bino state, as the next-to-LSP, exhibits significant radiative decay into a soft photon and the LSP, enabling the possible exploration at the LHC through the triggering of this soft photon alongside large E T and relatively hard leptons/jets resulting from the decay of heavier higgsino-like states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗