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At least 1,261 records · Page 70

Removing Biases from Rotating Shadowband Radiometers

Three types of biases are examined for a Rotating Shadowband Radiometer (RSR): temperature bias, spectral bias, and deviation from a Lambertian cosine response. A step by step method is presented to illustrate how to use this information to develop a model for adjustment algorithms for a RSR. Comparisons are made with a RSR adjusted using the model and measure direct normal, diffuse, and global irradiance.

14 SOLAR ENERGY↗

Stray-Light Correction of the Marine Optical Buoy

In ocean-color remote sensing, approximately 90% of the flux at the sensor originates from atmospheric scattering, with the water-leaving radiance contributing the remaining 10% of the total flux. Consequently, errors in the measured top-of-the atmosphere radiance are magnified a factor of 10 in the determination of water-leaving radiance. Proper characterization of the atmosphere is thus a critical part of the analysis of ocean-color remote sensing data. It has always been necessary to calibrate the ocean-color satellite sensor vicariously, using in situ, ground-based results, independent of the status of the pre-flight radiometric calibration or the utility of on-board calibration strategies. Because the atmosphere contributes significantly to the measured flux at the instrument sensor, both the instrument and the atmospheric correction algorithm are simultaneously calibrated vicariously. The Marine Optical Buoy (MOBY), deployed in support of the Earth Observing System (EOS) since 1996, serves as the primary calibration station for a variety of ocean-color satellite instruments, including the Sea-viewing Wide Field-of-view Sensor (SeaWiFS), the Moderate Resolution Imaging Spectroradiometer (MODIS), the Japanese Ocean Color Temperature Scanner (OCTS) , and the French Polarization and Directionality of the Earth's Reflectances (POLDER). MOBY is located off the coast of Lanai, Hawaii. The site was selected to simplify the application of the atmospheric correction algorithms. Vicarious calibration using MOBY data allows for a thorough comparison and merger of ocean-color data from these multiple sensors.

Brown, Steven W.↗

Removing Biases from Rotating Shadowband Radiometers: Preprint

Three types of biases are examined for a rotating shadowband radiometer (RSR): temperature bias, spectral bias, and deviation from a Lambertian cosine response. A step-by-step method is presented to illustrate how to use this information to develop a model for adjustment algorithms for a RSR. Comparisons are made with a RSR adjusted using the model and measure direct normal, diffuse, and global irradiance.

14 SOLAR ENERGY↗

Combined Radiometer-Radar Microphysical Profile Estimations with Emphasis on High Frequency Brightness Temperature Observations

Information about the vertical microphysical cloud structure is useful in many modeling and predictive practices. Radiometers and radars are used to observe hydrometeor properties. This paper describes an iterative retrieval algorithm that combines the use of airborne active and wideband (10 to 340 GHz) passive observations to estimate the vertical content and particle size distributions of liquid and frozen hydrometeors. The physically-based retrieval algorithm relies on the high frequencies (greater than 89 GHz) to provide details on the frozen hydrometeors. Neglecting the high frequencies yielded acceptable estimates of the liquid profiles, but the ice profiles were poorly retrieved. Airborne radar and radiometer observations from the third Convection and Moisture EXperiment (CAMEX-3) were used in the retrieval algorithm as constraints. Nadir profiles were estimated for a minute each of flight time (approximately 12.5 km along track) from an anvil, convection, and quasi- stratiform rain. The complex structure of the frozen hydrometeors required the most iterations for convergence for the anvil cloud type. The wideband observations were found to more than double the estimated frozen hydrometeor content as compared to retrievals using only 90-GHz and below. The convective and quasi-stratiform quickly reached convergence (minimized difference between observations and calculations using the estimated profiles). A qualitative validation using coincident in situ CAMEX-3 observations shows that the retrieved particle size distributions are well corroborated with independent measurements.

Gail Skofronick-Jackson↗

Temperature, Pressure, and Infrared Image Survey of an Axisymmetric Heated Exhaust Plume

The focus of this research is to numerically predict an infrared image of a jet engine exhaust plume, given field variables such as temperature, pressure, and exhaust plume constituents as a function of spatial position within the plume, and to compare this predicted image directly with measured data. This work is motivated by the need to validate computational fluid dynamic (CFD) codes through infrared imaging. The technique of reducing the three-dimensional field variable domain to a two-dimensional infrared image invokes the use of an inverse Monte Carlo ray trace algorithm and an infrared band model for exhaust gases. This report describes an experiment in which the above-mentioned field variables were carefully measured. Results from this experiment, namely tables of measured temperature and pressure data, as well as measured infrared images, are given. The inverse Monte Carlo ray trace technique is described. Finally, experimentally obtained infrared images are directly compared to infrared images predicted from the measured field variables.

Nelson, Edward L.↗

Deriving Essential Climate Variable Data from Multiple Satellite Remote Sensors Using a Consistent Fingerprinting Method

Hyperspectral observations from satellite-based sensors provide high information content for the Earth’s atmospheric and surface properties. Traditionally, long-term climate products are derived by performing spatial and temporal averaging of level-2 satellite products. It is a time-consuming process to generate level-2 data products since modern hyperspectral satellite sensors have millions of observations each day with thousands of spectral channels for each observation. Additionally, differences in level-2 retrieval algorithms can lead to errors in the climate products when fusing data from different satellite sensors. We have developed a radiometrically consistent spectral fingerprinting method, which overcomes the above-mentioned shortcomings, to derive climate change signals from multiple satellite sensors using spatiotemporally averaged level-1 data. We have applied this method to Atmospheric Infrared Sounder (AIRS) and Cross-track Infrared Sounder (CrIS) data and generated decade-long climate data records for atmospheric temperature, water vapor, cloud, trace gases, and surface skin temperature. A key component to this work is a set of observational-based radiative kernels produced from CrIS level-1 data using a single field of view (SFOV) optimal estimation retrieval algorithm. Only limited CrIS level-1 data (e.g., 1-2 years of data) are needed to the derive radiative kernels. Our Principal Component-based Radiative Model (PCRTM) enables us to perform SFOV retrievals under all sky conditions and provides radiative kernels (including those for clouds) needed by the spectral fingerprinting method. In this presentation, we will describe the basic methodology, the details of the algorithm, and results from NASA Aqua AIRS and Suomi-NPP CrIS data. The method can be applied to study future hyperspectral remote sensors such as CLARREO (Climate Absolute Radiance and Refractivity Observatory) Pathfinder (CPF), Tropospheric Emissions: Monitoring of Pollution (TEMPO), Surface Biology and Geology (SBG), Aerosol and Cloud, Convection and Precipitation (ACCP).

Xu Liu↗

Utilization of Ancillary Data Sets for Conceptual SMAP Mission Algorithm Development and Product Generation

The planned Soil Moisture Active Passive (SMAP) mission is one of the first Earth observation satellites being developed by NASA in response to the National Research Council's Decadal Survey, Earth Science and Applications from Space: National Imperatives for the Next Decade and Beyond [1]. Scheduled to launch late in 2014, the proposed SMAP mission would provide high resolution and frequent revisit global mapping of soil moisture and freeze/thaw state, utilizing enhanced Radio Frequency Interference (RFI) mitigation approaches to collect new measurements of the hydrological condition of the Earth's surface. The SMAP instrument design incorporates an L-band radar (3 km) and an L band radiometer (40 km) sharing a single 6-meter rotating mesh antenna to provide measurements of soil moisture and landscape freeze/thaw state [2]. These observations would (1) improve our understanding of linkages between the Earth's water, energy, and carbon cycles, (2) benefit many application areas including numerical weather and climate prediction, flood and drought monitoring, agricultural productivity, human health, and national security, (3) help to address priority questions on climate change, and (4) potentially provide continuity with brightness temperature and soil moisture measurements from ESA's SMOS (Soil Moisture Ocean Salinity) and NASA's Aquarius missions. In the planned SMAP mission prelaunch time frame, baseline algorithms are being developed for generating (1) soil moisture products both from radiometer measurements on a 36 km grid and from combined radar/radiometer measurements on a 9 km grid, and (2) freeze/thaw products from radar measurements on a 3 km grid. These retrieval algorithms need a variety of global ancillary data, both static and dynamic, to run the retrieval models, constrain the retrievals, and provide flags for indicating retrieval quality. The choice of which ancillary dataset to use for a particular SMAP product would be based on a number of factors, including its availability and ease of use, its inherent error and resulting impact on the overall soil moisture or freeze/thaw retrieval accuracy, and its compatibility with similar choices made by the SMOS mission. All decisions regarding SMAP ancillary data sources would be fully documented by the SMAP Project and made available to the user community.

freeze/thaw↗

Skin Sea‐Surface Temperature from VIIRS on Suomi‐NPP—NASA Continuity Retrievals

Retrievals of skin Sea‐Surface Temperature (SSTskin) from the measurements of the Visible Infrared Imaging Radiometer Suite on the Suomi‐National Polar‐orbiting Partnership satellite are presented and discussed. The algorithms used to derive the SSTskin from the radiometric measurements are given in detail. A number of approaches to assess the accuracy and stability of the Visible Infrared Imaging Radiometer Suite (VIIRS) SSTskin retrievals are reported, and factors including latitude and season, and physical processes in the atmosphere and at the surface are discussed. We conclude that the Suomi National Polar‐orbiting Partnership (S‐NPP) VIIRS is capable of matching and improving upon the accuracies of SSTskin from the MODISs on Terra and Aqua, and that the VIIRS SSTskin fields have the potential to contribute to the extension of the satellitederived Climate Data Records of SST into the future.

sea‐surface temperature↗

TPSAS-NF1676L-23557-DND

The Cloud-Aerosol LIdar with Orthogonal Polarization (CALIOP) measures both parallel and perpendicular backscatter of linearly polarized 532 nm light from cloud particles in the atmosphere. The perpendicular component of the return signal allows differentiation between cloud layers consisting of spherical water droplets from those with non-spherical ice particles. A two-way distribution of layer-integrated 532 nm total backscatter and the layer-integrated 532 nm depolarization ratio further differentiates between water cloud layers with significant multiple scattering, horizontally-oriented ice particles that cause specular reflections, and randomly-oriented ice particles, as described in Hu et al., 2009. The cloud phase algorithm functions well for the majority of clouds, but there have been some recent changes and improvements that are described in this poster. The impact of the CALIOP viewing angle change from near-nadir (0.3 degrees) to slightly tilted (3.0 degrees) on the optical properties of the various CALIOP cloud particle phases is also shown. A major improvement to the phase algorithm is the limitation of a spatial coherence test for horizontally-oriented ice to cloud layers that have sufficient integrated attenuated backscatter to likely contain HOI. This change reduces a "striping" effect caused by noisiness in the spatial coherence test for thin cloud layers. Additional temperature tests are considered, and the regional and vertical distribution of cloud layers with the various CALIOP cloud phases is shown. Only one cloud particle phase is allowed for each 5 km portion of a cloud layer that is considered by the cloud phase algorithm, so we use in situ aircraft and CloudSat observations to determine how the CALIOP cloud phase algorithm is treating optically and thermally thick clouds, which may be mixed-phase.

Melody Avery↗

Virtual refrigerant charge sensing algorithm for residential CO₂ heat pumps

Natural refrigerants are increasingly adopted in next-generation heat pump systems, among which CO₂ heat pumps have attracted significant attention. However, due to their high operating pressures, the leakage risk is higher, resulting in undercharge conditions and degraded heat pump performance. Thus, developing an accurate refrigerant charge level detection technique is necessary to guarantee safe and efficient operation. Although virtual refrigerant charge (VRC) level calculation algorithms for CO₂ heat pumps exist, they typically rely on empirically selected features without a systematic selection framework, leading to multicollinearity and potential overfitting, which limit their prediction accuracy and generalizability. To address these issues, this study proposes a VRC algorithm framework with a systematic feature selection method that identifies physically meaningful and statistically significant features, and is applied using a residential CO₂ heat pump as a case study. The method is extended from previous work on conventional refrigerants to account for charge behavior in CO₂ gas coolers. The selected features include gas cooler outlet density, evaporator pressure, and superheat temperature. The results demonstrate that the proposed feature selection method significantly improves prediction accuracy compared to existing VRC approaches. A relatively small training dataset (∼30 samples) is sufficient for feature identification and model development. The developed algorithm achieves less than 3% prediction error under both undercharge and overcharge conditions, representing reductions of 46.7% and 35.3% compared to two recent reference VRC algorithms for transcritical CO₂ heat pumps reported in the literature. The proposed algorithm and feature selection method enhance leakage detection capability, facilitate the deployment of CO₂ heat pump systems, and contribute to reduced energy waste and maintenance costs.

Guo, Fangzhou [Lawrence Berkeley National Laborato↗

Microgravity Transport Phenomena Experiment (MTPE) Overview

The Microgravity Transport Phenomena Experiment (MTPE) is a fluids experiment supported by the Fundamentals in Biotechnology program in association with the Human Exploration and Development of Space (BEDS) initiative. The MTP Experiment will investigate fluid transport phenomena both in ground based experiments and in the microgravity environment. Many fluid transport processes are affected by gravity. Osmotic flux kinetics in planar membrane systems have been shown to be influenced by gravimetric orientation, either through convective mixing caused by unstably stratified fluid layers, or through a stable fluid boundary layer structure that forms in association with the membrane. Coupled transport phenomena also show gravity related effects. Coefficients associated with coupled transport processes are defined in terms of a steady state condition. Buoyancy (gravity) driven convection interferes with the attainment of steady state, and the measurement of coupled processes. The MTP Experiment measures the kinetics of molecular migration that occurs in fluids, in response to the application of various driving potentials. Three separate driving potentials may be applied to the MTP Experiment fluids, either singly or in combination. The driving potentials include chemical potential, thermal potential, and electrical potential. Two separate fluid arrangements are used to study membrane mediated and bulk fluid transport phenomena. Transport processes of interest in membrane mediated systems include diffusion, osmosis, and streaming potential. Bulk fluid processes of interest include coupled phenomena such as the Soret Effect, Dufour Effect, Donnan Effect, and thermal diffusion potential. MTP Experiments are performed in the Microgravity Transport Apparatus (MTA), an instrument that has been developed specifically for precision measurement of transport processes. Experiment fluids are contained within the MTA fluid cells, designed to create a one dimensional flow geometry of constant cross sectional area, and to facilitate fluid filling and draining operations in microgravity. The fluid cells may be used singly for bulk solutions, or in a Stokes diaphragm configuration to investigate membrane mediated phenomena. Thermal and electrical driving potentials are applied to the experiment fluids through boundary plates located at the ends of the fluid cells. In the ground based instrument, two constant temperature baths circulate through reservoirs adjacent to the boundary plates, and establish the thermal environment within the fluid cells. The boundary plates also serve as electrodes for measurement and application of electrical potentials. The Fluid Manipulation System associated with the MTA is a computer controlled system that enables storage and transfer of experiment fluids during on orbit operations. The system is used to automatically initiate experiments and manipulate fluids by orchestrating pump and valve operations through scripted sequences. Unique technologies are incorporated in the MTA for measurement of fluid properties. Volumetric Flow Sensors have been developed for precision measurement of total fluid volume contained within the fluid cells over time. This data is most useful for measuring the kinetics of osmosis, where fluid is transported from one fluid cell to another through a semipermeable membrane. The MicroSensor Array has been designed to perform in situ measurement of several important fluid parameters, providing simultaneous measurement of solution composition at multiple locations within the experiment fluids. Micromachined sensors and interface electronics have been developed to measure temperature, electrical conductivity, pH, cation activity, and anion activity. The Profile Refractometer uses a laser optical system to directly image the fluid Index of Refraction profile that exists along the MTA fluid cell axis. A video system acquires images of the RI profile over time, and records the transport kinetics that occur upon application of chemical, thermal, or electrical driving potentials. Image processing algorithms have been developed to analyze the refractometer images on a pixel by pixel basis, calibrating and scaling the measured Index of Refraction profile to correlated solution properties of interest such as density, concentration, and temperature. Additional software has been developed to compile the processed images into a three dimensional matrix that contains fluid composition data as a function of experiment time and position in the fluid cell. These data are combined with data from the other sensor systems, and analyzed in the context of transport coefficients associated with the various transport phenomena. Analysis protocols have been developed to measure the transient kinetics, and steady state distribution of fluid components that occur in response to the applied driving potentials. The results are expressed in terms of effective transport coefficients. Experiments have been performed using a variety of solutes, and results generated are that are in agreement with published transport coefficient values.

Mason, Larry W.↗

Progress Towards Interpretable Machine Learning-based Disruption Predictors Across Tokamaks

In this paper we lay the groundwork for a robust cross-device comparison of data-driven disruption prediction algorithms on DIII-D and JET tokamaks. In order to consistently carry on a comparative analysis, we define physics-based indicators of disruption precursors based on temperature, density, and radiation profiles that are currently missing for DIII-D data. These profile-based indicators are shown to well-describe impurity accumulation events in both DIII-D and JET discharges that eventually disrupt. Thanks to the univariate analysis on the features used in such data-driven applications on both tokamaks, we are able to statistically highlight differences in the dominant disruption precursors: JET with its ITER-like wall is more prone to impurity accumulation events, while DIII-D is more subject to edge cooling mechanisms that destabilize dangerous MHD modes. Even though the analyzed datasets are characterized by such intrinsic differences, we show how data-driven algorithms trained on one device can be used to predict and interpret disruptive scenarios on the other. As long as the destabilizing precursors are diagnosed in a device-independent way, the knowledge that data-driven algorithms learn on one device can be used to explain a disruptive behavior on another device.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Methodology for Simulating Supercritical CO2 Heat Transfer Experiments Using Machine Learning Models

To support the growth of supercritical carbon dioxide (sCO2) power cycles in the energy industry, this study seeks to train a machine learning model to mirror experimental data to predict new heat transfer data. To do this experimental data was amassed, one preliminary set comprised of 16 test results, and an expanded version comprised of 38 test results. With the goal of predicting experimental apparatus temperatures and pressures, several iterations of models were tested investigating the impact of model hyper-parameters, data inclusion, and data pre-processing on model performance. A total of 15 variations cumulatively of Gaussian Process Regressors, Gradient Boosting Regressors, and Multi-Layer Perceptrons were trained and validated on the preliminary set, and the best algorithm of each class was re-trained on the expanded set. These were compared based on test/train R^2 , test/train mean absolute error (MAE), and validation MAE, to identify the successfulness of these models. It was shown temperatures could be predicted within just a few degrees, showing the potential of this approach. Future research has been identified with approaches to improve pressure and temperature predictions going forward.

Grabowski, Owen↗

Towards Learning-Based Architectures for Sensor Impact Evaluation in Building Controls

Advanced control algorithms for building systems are known to have significant potential in reducing energy consumption while optimizing thermal comfort. The success of such algorithms is critically contingent on several different types of sensor systems, which are in turn, used for continuous monitoring, identification and estimation of several important building states, such as temperatures, humidity, air quality, power consumption and occupancy status. Nonidealities in any of these sensors can lead to significant performance degradation of the control functionalities, and may lead to unwanted sub-optimal building operation. In this paper, we provide a simulation example with a high-fidelity building model, for a particular use-case of advanced optimization-based control in buildings, i.e., occupancy-based controls. We show how imperfections in occupancy sensing can offset performance. Subsequently, we discuss a novel learning-based architecture to efficiently evaluate the impact of sensor nonidealities for building systems, in context of advanced control algorithms.

Bhattacharya, Saptarshi↗

Report of the 1988 2-D Intercomparison Workshop, chapter 3

Several factors contribute to the errors encountered. With the exception of the line-by-line model, all of the models employ simplifying assumptions that place fundamental limits on their accuracy and range of validity. For example, all 2-D modeling groups use the diffusivity factor approximation. This approximation produces little error in tropospheric H2O and CO2 cooling rates, but can produce significant errors in CO2 and O3 cooling rates at the stratopause. All models suffer from fundamental uncertainties in shapes and strengths of spectral lines. Thermal flux algorithms being used in 2-D tracer tranport models produce cooling rates that differ by as much as 40 percent for the same input model atmosphere. Disagreements of this magnitude are important since the thermal cooling rates must be subtracted from the almost-equal solar heating rates to derive the net radiative heating rates and the 2-D model diabatic circulation. For much of the annual cycle, the net radiative heating rates are comparable in magnitude to the cooling rate differences described. Many of the models underestimate the cooling rates in the middle and lower stratosphere. The consequences of these errors for the net heating rates and the diabatic circulation will depend on their meridional structure, which was not tested here. Other models underestimate the cooling near 1 mbar. Suchs errors pose potential problems for future interactive ozone assessment studies, since they could produce artificially-high temperatures and increased O3 destruction at these levels. These concerns suggest that a great deal of work is needed to improve the performance of thermal cooling rate algorithms used in the 2-D tracer transport models.

Jackman, Charles H.↗

Generating Essential Climate Variables from Multiple Satellite Hyperspectral Remote Sensors

Hyperspectral observations from satellite-based sensors provide high information content for the Earth’s atmospheric and surface properties. Traditionally, long-term climate products are derived by performing spatial and temporal averaging of level-2 satellite products. There are two shortcomings of this approach. First, it is a time-consuming process to generate level-2 data products since modern hyperspectral satellite sensors have millions of observations each day with thousands of spectral channels for each observation. Secondly, differences in level-2 retrieval algorithms can lead to errors in the fused multi-satellite data. We have developed a radiometrically consistent spectral fingerprinting method, which overcomes the above-mentioned shortcomings, to derive climate change signals from multiple satellite sensors using spatiotemporally averaged level-1 data. We have applied this method to data collected from Atmospheric Infrared Sounder (AIRS) on Aqua satellite and Cross-track Infrared Sounder (CrIS) on SNPP and NOAA20 and generated decade-long climate data records for atmospheric temperature, water vapor, cloud, trace gases, and surface skin temperature. A key component to this work is a set of observational-based radiative kernels produced from CrIS level-1 data using a single field of view (SFOV) optimal estimation retrieval algorithm. Only limited CrIS level-1 data (e.g., 1-2 years of data) are needed to the derive radiative kernels. Our Principal Component-based Radiative Model (PCRTM) enables us to perform SFOV retrievals under all sky conditions and provides radiative kernels (including those for clouds) needed by the spectral fingerprinting method. In this presentation, we will describe the basic methodology, the details of the algorithm, and results from NASA Aqua AIRS and Suomi-NPP CrIS data. The method can be applied to study future hyperspectral remote sensors such as CLARREO (Climate Absolute Radiance and Refractivity Observatory) Pathfinder (CPF), Tropospheric Emissions: Monitoring of Pollution (TEMPO), Surface Biology and Geology (SBG), Atmosphere Observing System (AOS).

Xu Liu↗

Experimental Examination of Additively Manufactured Patterns on Structural Nuclear Materials for Digital Image Correlation Strain Measurements

Abstract Background There are a limited number of commercially available sensors for monitoring the deformation of materials in-situ during harsh environment applications, such as those found in the nuclear and aerospace industries. Such sensing devices, including weldable strain gauges, extensometers, and linear variable differential transformers, can be destructive to material surfaces being investigated and typically require relatively large surface areas to attach (> 10 mm in length). Digital image correlation (DIC) is a viable, non-contact alternative to in-situ strain deformation. However, it often requires implementing artificial patterns using splattering techniques, which are difficult to reproduce. Objective Additive manufacturing capabilities offer consistent patterns using programmable fabrication methods. Methods In this work, a variety of small-scale periodic patterns with different geometries were printed directly on structural nuclear materials (i.e., stainless steel and aluminum tensile specimens) using an aerosol jet printer (AJP). Unlike other additive manufacturing techniques, AJP offers the advantage of materials selection. DIC was used to track and correlate strain to alternative measurement methods during cyclic loading, and tensile tests (up to 1100 µɛ) at room temperature. Results The results confirmed AJP has better control of pattern parameters for small fields of view and facilitate the ability of DIC algorithms to adequately process patterns with periodicity. More specifically, the printed 100 μm spaced dot and 150 μm spaced line patterns provided accurate measurements with a maximum error of less than 2% and 4% on aluminum samples when compared to an extensometer and commercially available strain gauges. Conclusion Our results highlight a new pattern fabrication technique that is form factor friendly for digital image correlation in nuclear applications.

Novich, K. A. (ORCID:0000000204466022)↗

Structural evolution of two-dimensional silicates using a “bond-switching” algorithm

Silicates are the most abundant materials in the earth's crust. In recent years, two-dimensional (2D) versions of them grown on metal supports (known as bilayer silicates) have allowed their study in detail down to the atomic scale. These structures are self-containing. Furthermore, they are not covalently bound to the metal support but interact with it through van der Waals forces. Like their three-dimensional counterparts, the 2D-silicates can form both crystalline and vitreous structures. Furthermore, the interconversion between vitreous to crystalline structures has been experimentally observed at the nanoscale. While theoretical work has been carried out to try to understand these transformations, a limitation for ab initio methods, and even molecular dynamics methods, is the computational cost of studying large systems and long timescales. In this work, we present a simple and computationally inexpensive approach, that can be used to represent the evolution of bilayer silicates using a bond-switching algorithm. This approach allows reaching equilibrium ring size distributions as a function of a parameter that can be related to the ratio between temperature and the energy required for the bond-switching event. The ring size distributions are compared to experimental data available in the literature.

77 NANOSCIENCE AND NANOTECHNOLOGY↗