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At least 1,135 records · Page 63

All sources NASA NTRS DOE OSTI

NASA NTRS2005

A New Approach to using a Cloud-Resolving Model to Study the Interactions between Clouds, Precipitation and Aerosols

Numerical cloud models, which are based the non-hydrostatic equations of motion, have been extensively applied to cloud-scale and mesoscale processes during the past four decades. Because cloud-scale dynamics are treated explicitly, uncertainties stemming from convection that have to be parameterized in (hydrostatic) large-scale models are obviated, or at least mitigated, in cloud models. Global models will use the non-hydrostatic framework when their horizontal resolution becomes about 10 kilometers, the theoretical limit for the hydrostatic approximation. This juncture will be reached one to two decades from now. Over the past generation, voluminous datasets on atmospheric convection have been accumulated from radar, instrumented aircraft, satellites, and rawinsonde measurements in field campaigns, enabling the detailed evaluation of models. Improved numerical methods have resulted in more accurate and efficient dynamical cores in models. Improvements have been made in the parameterizations of microphysical processes, radiation, boundary-layer effects, and turbulence; however, microphysical parameterizations remain a major source of uncertainty in all classes of atmospheric models. In recent years, exponentially increasing computer power has extended cloud-resolving-model integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-kilometer scales are resolved in horizontal domains as large as 10,000 kilometers in two dimensions, and 1,000 x 1,000 square kilometers in three-dimensions. Cloud models now provide statistical information useful for developing more realistic physically-based parameterizations for climate models and numerical weather prediction models. A review of developments and applications of cloud models in the past, present and future will be presented in this talk. In particular, a new approach to using cloud-resolving models to study the interactions between clouds, precipitation and aerosols will be presented.

Tao, Wei-Kuo↗

NASA NTRS2005

A New Approach to Using a Cloud-resolving Model to Study the Interactions Between Clouds, Precipitation and Aerosols

Numerical cloud models, which are based the non-hydrostatic equations of motion, have been extensively applied to cloud-scale and mesoscale processes during the past four decades. Because cloud-scale dynamics are treated explicitly, uncertainties stemming from convection that have to be parameterized in (hydrostatic) large-scale models are obviated, or at least mitigated, in cloud models. Global models will use the non-hydrostatic framework when their horizontal resolution becomes about 10 km, the theoretical limit for the hydrostatic approximation. This juncture will be reached one to two decades from now. Over the past generation, voluminous datasets on atmospheric convection have been accumulated from radar, instrumented aircraft, satellites, and rawinsonde measurements in field campaigns, enabling the detailed evaluation of models. Improved numerical methods have resulted in more accurate and efficient dynamical cores in models. Improvements have been made in the parameterizations of microphysical processes, radiation, boundary-layer effects, and turbulence; however, microphysical parameterizations remain a major source of uncertainty in all classes of atmospheric models. In recent years, exponentially increasing computer power has extended cloud-resolving-model integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as l0,OOO km in two-dimensions, and 1,OOO x 1,OOO km2 in three-dimensions. Cloud models now provide statistical information useful for developing more realistic physically-based parameterizations for climate models and numerical weather prediction models. A review of developments and applications of cloud models in the past, present and future will be presented in this talk. In particular, a new approach to using cloud-resolving models to study the interactions between clouds, precipitation and aerosols will be presented.

Tao, Wei-Kuo↗

NASA NTRS2005

A New Approach to using a Cloud-Resolving Model to Study the Interactions between Clouds, Precipitation and Aerosols

Numerical cloud models, which are based the non-hydrostatic equations of motion, have been extensively applied to cloud-scale and mesoscale processes during the past four decades. Because cloud-scale dynamics are treated explicitly, uncertainties stemming from convection that have to be parameterized in (hydrostatic) large-scale models are obviated, or at least mitigated, in cloud models. Global models will use the non-hydrostatic framework when their horizontal resolution becomes about 10 km, the theoretical limit for the hydrostatic approximation. This juncture will be reached one to two decades from now. Over the past generation, voluminous datasets on atmospheric convection have been accumulated from radar, instrumented aircraft, satellites, and rawinsonde measurements in field campaigns, enabling the detailed evaluation of models. Improved numerical methods have resulted in more accurate and efficient dynamical cores in models. Improvements have been made in the parameterizations of microphysical processes, radiation, boundary-layer effects, and turbulence; however, microphysical parameterizations remain a major source of uncertainty in all classes of atmospheric models. In recent years, exponentially increasing computer power has extended cloud-resolving-model integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 square kilometers in three-dimensions. Cloud models now provide statistical information useful for developing more realistic physically-based parameterizations for climate models and numerical weather prediction models. A review of developments and applications of cloud models in the past, present and future will be presented in this talk. In particular, a new approach to using cloud-resolving models to study the interactions between clouds, precipitation and aerosols will be presented.

Tao, Wei-Kuo↗

DOE OSTI2017

Modeling cookoff of HMX based PBX explosives

We have previously developed a PBX 9501 cookoff model for the plastic bonded explosive PBX 9501 consisting of 95 wt% octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazoncine (HMX), 2.5 wt% Estane® 5703 (a polyurethane thermoplastic), and 2.5 wt% of a nitroplasticizer (NP): BDNPA/F, a 50/50 wt% eutectic mixture bis(2,2-dinitropropyl)-acetal (BDNPA) and bis(2,2-dinitropropyl)-formal (BDNPF). This fivestep model includes desorption of water, decomposition of the NP to form NO 2 , reaction of the NO 2 with Estane and HMX, and decomposition of HMX [1]. This model has been successfully validated with data from six laboratories with scales ranging from 2 g to more than 2.5 kg of explosive. We have determined, that the PBX 9501 model can be used to predict cookoff of other plastic bonded explosives containing HMX and an inert binder, such as LX-04 consisting of 85 wt% HMX and 15 wt% Viton A (vinylidine fluoride/hexafluoropropylene copolymer), LX-07 (90 wt% HMX and 10 wt% Viton A), LX- 10-0 (95 wt% HMX and 5 wt% Viton A), and LX-14 consisting of 95.5 wt % HMX and 4.5 wt% Estane® 5702-F1 (a polyurethane thermoplastic). Normally our cookoff models are verified using Sandia’s Instrumented Thermal Initiation (SITI) experiment. However, SITI data for LX-04, LX-07, LX-10-0, and LX-14 are not available at pressed density; although, some molding powder SITI data on LX-10-0 and LX-14 exists. Tarver and Tran [2] provide some one-dimensional time-to-explosion (ODTX) data for these explosives. The applicability of the PBX 9501 model to LX-04, LX-07, LX-10-0, AND LX-14 was made using this ODTX data [2]. The PBX 9501 model is applied to these other explosives by accounting for the correct amount of HMX in the explosive and limiting the NP reaction. We have found the PBX 9501 model to be useful for predicting the response of these PBXs to abnormal thermal environments such as fire.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2018

Dynamic Model of Basic Oxygen Steelmaking Process Based on Multi-zone Reaction Kinetics: Model Derivation and Validation

A multi-zone kinetic model coupled with a dynamic slag generation model was developed for the simulation of hot metal and slag composition during the basic oxygen furnace (BOF) operation. The three reaction zones (i) jet impact zone, (ii) slag–bulk metal zone, (iii) slag–metal–gas emulsion zone were considered for the calculation of overall refining kinetics. In the rate equations, the transient rate parameters were mathematically described as a function of process variables. A micro and macroscopic rate calculation methodology (micro-kinetics and macro-kinetics) were developed to estimate the total refining contributed by the recirculating metal droplets through the slag–metal emulsion zone. The micro-kinetics involves developing the rate equation for individual droplets in the emulsion. The mathematical models for the size distribution of initial droplets, kinetics of simultaneous refining of elements, the residence time in the emulsion, and dynamic interfacial area change were established in the micro-kinetic model. In the macro-kinetics calculation, a droplet generation model was employed and the total amount of refining by emulsion was calculated by summing the refining from the entire population of returning droplets. A dynamic Fe{sub t}O generation model based on oxygen mass balance was developed and coupled with the multi-zone kinetic model. The effect of post-combustion on the evolution of slag and metal composition was investigated. The model was applied to a 200-ton top blowing converter and the simulated value of metal and slag was found to be in good agreement with the measured data. The post-combustion ratio was found to be an important factor in controlling Fe{sub t}O content in the slag and the kinetics of Mn and P in a BOF process.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Connected Vehicle-Based Traffic Signal Coordination

This study presents a connected vehicles (CVs)-based traffic signal optimization framework for a coordinated arterial corridor. The signal optimization and coordination problem are first formulated in a centralized scheme as a mixed-integer nonlinear program (MINLP). The optimal phase durations and offsets are solved together by minimizing fuel consumption and travel time considering an individual vehicle’s trajectories. Due to the complexity of the model, we decompose the problem into two levels: an intersection level to optimize phase durations using dynamic programming (DP), and a corridor level to optimize the offsets of all intersections. In order to solve the two-level model, a prediction-based solution technique is developed. The proposed models are tested using traffic simulation under various scenarios. Compared with the traditional actuated signal timing and coordination plan, the signal timing plans generated by solving the MINLP and the two-level model can reasonably improve the signal control performance. When considering varies vehicle types under high demand levels, the proposed two-level model reduced the total system cost by 3.8% comparing to baseline actuated plan. MINLP reduced the system cost by 5.9%. It also suggested that coordination scheme was beneficial to corridors with relatively high demand levels. For intersections with major and minor street, coordination conducted for major street had little impacts on the vehicles at the minor street.

42 ENGINEERING↗

DOE OSTI2023

Bucket Loading Trajectory Optimization for the Automated Wheel Loader

The bucket motion of a wheel loader during the loading process is investigated in this study. The optimal bucket loading trajectory can be obtained by solving an optimal control problem with the performance criteria of the fill factor , fuel efficiency and operation cycle time . A control-oriented model for the bucket loading operation is developed. Based on the control-oriented model, the bucket loading process is formulated as an optimal control problem with physical constraints. An open-source optimization solver, OpenOCL, is used to solve this problem. The simulation results show that the proposed method is effective in generating the optimal trajectory with significantly increased energy efficiency and productivity. Furthermore, this optimal trajectory can be employed as a reference for an automated wheel loader or as a driver advisory for a human operated wheel loader.

42 ENGINEERING↗

NASA NTRS1989

Mars rover concept development

A structured study effort to develop an extensive, innovative set of mobility and navigation concepts for a planetary exploration vehicle along with the concomitant value system and evaluation tools is presented. A further objective is to submit these concepts to a rigorous, structured evaluation process to derive the most promising candidate systems. To support the evaluation process, a three-layer computer model of the Martian surface was developed, based on the 1/64 deg Digital Elevation Model (DEM) of Mars. Local surface roughness based on measured Martian slope distribution and power spectral density was superimposed on the DEM, and rocks based on Moore's distribution model were added. To assess performance, selected concepts were modeled using DADS, and simulations were run with the vehicle traversing the Martian surface model, including one-meter-high vertical steps and one-meter-wide crevasses. The design details of three promising candidate systems are presented, along with the discussion of their evolution with some recommendations.

Mctamaney, Louis S.↗

DOE OSTI2017

Novel Gamma Attenuation Methods Utilized for Waste Characterization of UO{sub 2}F{sub 2}-Bearing Materials at the Paducah GDP - 17327

The Paducah Gaseous Diffusion Plant (PGDP) is currently under deactivation with demolition in the decades to follow. UO{sub 2}F{sub 2}-bearing waste is generated at PGDP by UF{sub 6} hydrolysing to materials such as pipes, valves, PPE, etc. when UF{sub 6} is exposed to humid air. In addition, Al{sub 2}O{sub 3} and NaF trap materials contain significant amounts of Uranium. The UO{sub 2}F{sub 2} deposits within the generated waste can be of sub-gram levels to several hundreds of localized grams and are much denser than the surrounding interfering matrix materials and may be of very complex geometric and chemical forms such as with the Al{sub 2}O{sub 3} and NaF trap materials. The main objective is to characterize the fissile (U-235) content of the UO{sub 2}F{sub 2}-bearing waste so as to meet the Data Quality Objectives (DQO) for proper disposal. If a waste container cannot meet the DQO then it must be subjected to costly remediation, repackaging and re-characterization processes. We have developed, at PGDP, several novel model-based methods and techniques that vastly improve the standard gamma attenuation correction methods and do not require Working Reference Materials (WRM) for calibration. These new methods involve rotating and non-rotating 18.9 liter (5 U.S. gallon) waste containers with and without a transmission modality. A new model-based variant of differential attenuation has been developed that provides a high-quality self-absorption correction that does not require knowledge of the Uranium enrichment or isotopic ratios. For more challenging waste containers, a method using multi-view (non-rotating) 18.9 liter waste containers has been considered using a recently developed Advanced ISOCS{sup C} Uncertainty Estimator (AIUE) package. The new methods suffice to significantly improve accuracy and precision and to lower the Total Measurement Uncertainty (TMU) leading to satisfactory DQO's that were not previously achievable using the standard gamma attenuation correction methods. In this paper we present real 18.9 liter waste container and Working Reference Material (WRM) data subjected to the new methods and compared to standard methods depicting the significant improvement in the DQO that is realized. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2019

Integral Solution of Two-Region Solid–Liquid Phase Change in Annular Geometries and Application to Phase Change Materials–Air Heat Exchangers

A mathematical model based on the integral method is developed to solve the problem of conduction-controlled solid–liquid phase change in annular geometries with temperature gradients in both phases. The inner and outer boundaries of the annulus were subject to convective, constant temperature or adiabatic boundary conditions. The developed model was validated by comparison with control volume-based computational results using the temperature-transforming phase change model, and an excellent agreement was achieved. The model was used to conduct parametric studies on the effect of annuli geometry, thermophysical properties of the phase change materials (PCM), and thermal boundary conditions on the dynamics of phase change. For an initially liquid PCM, it was found that increasing the radii ratio increased the total solidification time. Also, increasing the Biot number at the cooled (heated) boundary and Stefan number of the solid (liquid) PCM, decreased (increased) the solidification time and resulted in a greater (smaller) solid volume fraction at steady state. The application of the developed method was demonstrated by design and analysis of a PCM–air heat exchanger for HVAC systems. The model can also be easily employed for design and optimization of annular PCM systems for all associated applications in a fraction of time needed for computational simulations.

Shabgard, Hamidreza↗

NASA NTRS1994

Influence of backup bearings and support structure dynamics on the behavior of rotors with active supports

Progress over the past year includes the following: A simplified rotor model with a flexible shaft and backup bearings has been developed. A simple rotor model which includes a flexible disk and bearings with clearance has been developed and the dynamics of the model investigated. A rotor model based upon the T-501 engine has been developed which includes backup bearing effects. Parallel simulation runs are being conducted using an ANSYS based finite element model of the T-501. The magnetic bearing test rig is currently floating and dynamics/control tests are being conducted. A paper has been written that documents the work using the T-501 engine model. Work has continued with the simplified model. The finite element model is currently being modified to include the effects of foundation dynamics. A literature search for material on foil bearings has been conducted. A finite element model is being developed for a magnetic bearing in series with a foil backup bearing.

Flowers, George T.↗

NASA NTRS1994

A Model-Based Expert System for Space Power Distribution Diagnostics

When engineers diagnose system failures, they often use models to confirm system operation. This concept has produced a class of advanced expert systems that perform model-based diagnosis. A model-based diagnostic expert system for the Space Station Freedom electrical power distribution test bed is currently being developed at the NASA Lewis Research Center. The objective of this expert system is to autonomously detect and isolate electrical fault conditions. Marple, a software package developed at TRW, provides a model-based environment utilizing constraint suspension. Originally, constraint suspension techniques were developed for digital systems. However, Marple provides the mechanisms for applying this approach to analog systems such as the test bed, as well. The expert system was developed using Marple and Lucid Common Lisp running on a Sun Sparc-2 workstation. The Marple modeling environment has proved to be a useful tool for investigating the various aspects of model-based diagnostics. This report describes work completed to date and lessons learned while employing model-based diagnostics using constraint suspension within an analog system.

Quinn, Todd M.↗

DOE OSTI2022

The HUNTER Dynamic Human Reliability Analysis Tool: Development of a Module for Performance Shaping Factors

The Human Unimodel for Nuclear Technology to Enhance Reliability (HUNTER) is a framework to support dynamic human reliability analysis (HRA) in communication with a variety of methods and tools. This paper explores how we developed one of the HUNTER modules: namely, the Individual module for evaluating performance shaping factors (PSFs). A PSF is any factor that influences human performance (e.g., workload or complexity). In the existing HRA, they are used to highlight human errors and adjust error probabilities. We consider the eight PSFs suggested in the Standardized Plant Analysis Risk-HRA (SPAR-H) method, a representative HRA method widely used in the nuclear field. To support our dynamic modeling using the eight SPAR-H PSFs, we reviewed the human performance literature and developed data-based mathematical models to rate and quantify PSFs in the context of dynamic HRA. We also designed the Individual module to consist of two functions: (1) the PSF qualification function for automatically or manually evaluating PSF levels, and (2) the PSF quantification function for dynamically or statically determining PSF multiplier values and integrating them to adjust human error probabilities (HEPs). How each function works in regard to the SPAR-H PSFs, and how the PSFs serve to adjust the HEPs, were investigated via literature review and are discussed in this paper.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2021

Coupled social and infrastructure approaches for enhancing solar energy adoption. Final Report

The goal of this project was to work with rural electric cooperatives to facilitate the diffusion of solar energy adoption in households located in the rural and semi-urban areas of Virginia by identifying social and behavioral factors that might be unique to rural regions; and develop a model to calculate the solar adoption propensity score for household based on their demographics, social and behavioral characteristics which would provide an objective metric to cooperatives that can be further used to do targeted marketing of rooftop solar panels. This was achieved through the following tasks: (1) Conducted a survey of the members of Virginia electric cooperatives to identify demographic, social, financial and behavioral attributes of individuals who are likely to adopt rooftop solar panels. (2) Developed a highly detailed, data-driven, agent-based model of the population of Virginia, focusing on the rural regions. (3) Developed diffusion models that use social, behavioral, and demographic factors, and peer effects to study their impact on solar adoption in rural areas. (4) Built a prototype tool based on the diffusion model to help study market segmentation in rural areas and made it available to National Rural Electric Cooperative Association (NRECA). (5) Results and recommendations derived from the model were provided to NRECA to be shared with participating cooperatives. (6) Results were published in peer reviewed journals, conference proceedings and book chapters, and ideas disseminated through presentations and newsletters. There were several important methodological contributions made under this project which are detailed in the published papers, including: (1) Built a decision-adjusted model for predicting adoptors with imbalanced training data; (2) designed seeding strategies to maximize adoption given a fixed budget; (3) built a methodology to compare different agent based models; (4) created models to identify important factors that influence decision to adopt solar panels; and (5) built a methodology for building household profiles of solar generation to study the duck curve phenomenon. The team included members from the University of Virginia (lead), National Rural Electric Cooperative Association (NRECA), Arizona State University, Virginia Tech and Sandia National Laboratory. Note that no individual entity or stakeholder has incentive to promote solar in rural regions. Most of the research and work focuses around urban regions where the potential for growth in solar adoption is higher due to higher population density. This puts rural areas at a disadvantage. By improving the diffusion of solar adoption in rural parts of the country, we can not only provide clean energy to rural areas but also promote job growth and improves energy independence.

14 SOLAR ENERGY↗

DOE OSTI2017

Regulation-Structured Dynamic Metabolic Model Provides a Potential Mechanism for Delayed Enzyme Response in Denitrification Process

In a recent study of denitrification dynamics in hyporheic zone sediments, we observed a significant time lag (up to several days) in enzymatic response to the changes in substrate concentration. To explore an underlying mechanism and understand the interactive dynamics between enzymes and nutrients, we developed a trait-based model that associates a community’s traits with functional enzymes, instead of typically used species guilds (or functional guilds). This enzyme-based formulation allows to collectively describe biogeochemical functions of microbial communities without directly parameterizing the dynamics of species guilds, therefore being scalable to complex communities. As a key component of modeling, we accounted for microbial regulation occurring through transcriptional and translational processes, the dynamics of which was parameterized based on the temporal profiles of enzyme concentrations measured using a new signature peptide-based method. The simulation results using the resulting model showed several days of a time lag in enzymatic responses as observed in experiments. Further, the model showed that the delayed enzymatic reactions could be primarily controlled by transcriptional responses and that the dynamics of transcripts and enzymes are closely correlated. The developed model can serve as a useful tool for predicting biogeochemical processes in natural environments, either independently or through integration with hydrologic flow simulators.

trait-based modeling↗

DOE OSTI2022

Effects of internal swelling on residual elasticity of a quasi-brittle material through a composite sphere model

This work describes the development of a micromechanical-based constitutive model accounting for the effect of internal expansion on the residual elasticity of a Hashin composite material. This material is made of spherical inclusions that are subjected to gradual swelling within a quasi-brittle matrix. The main focus of this work is to describe and analyze the material mechanical response, with an additional focus on the internal swelling’s effect on the stress–strain response and residual elasticity. Microstructural features and parameters of major importance for the mechanical responses were identified. The innovative characteristics of the proposed approach are summarized as follows: (1) a full determination of the physics of a complete-damage problem throughout the whole process of inclusion swelling with upscaling techniques, which transfers the microcrack-related properties from the lower scale to upper scale; and (2) an evolution of the mechanical fields and the corresponding residual elasticity for various inclusion swelling levels. Concerning the matrix–inclusion composite, it was hypothesized that only the matrix was susceptible to cracking, with varied degrees of damage, whereas the inclusions behave elastically and the elastic modulus of the expanding inclusions remains constant. It is to emphasize that the gradual swelling of inclusions is modeled by an increasing strain in the current micromechanical-based constitutive model, and the microcracks are represented by a set of randomly oriented penny-shaped microcracks with identical radii (namely, closed cracks). The main contribution of the current research is to establish the exact mathematical solutions for the mechanical fields (stress, strain) caused by the swelling of the inclusions (mechanical loading) and derive the effective residual elasticity of a composite (structural response) subject to internal expansion and quasi-brittle damage. Based on the assumption of closed cracks that could be extended to open cracks in the upcoming work, the results proposed by the present paper help to understand the non-linear mechanical behavior of quasi-brittle materials subject to microcracking and provide a theoretical framework to be used as academical benchmark for numerical simulations.

36 MATERIALS SCIENCE↗

DOE OSTI2022

A crystal plasticity finite element method modeling of Zircaloy with hydride phases based on scanning electron micrographs

This work developed a microstructure-based finite element model to predict the stress state of alloys with second phase inclusions. Quantitative microstructural details extracted from scanning electron microscopy (SEM) images were used to generate heterogeneous microstructures including the morphology and spatial distribution of hydrides. Generation of digital microstructure was achieved through two steps of tessellations using software Neper and Matlab. The process is demonstrated using an example of Zircaloy material with secondary phases of hydrides dispersed within and stress-strain response of Zircaloy containing hydrides was predicted. The constitutive material model for Zircaloy in this study was based on crystal plasticity theory which considers the hexagonal close-packed (HCP) atomic structure of Zircaloy material. The hydrides were modeled as isotropic elasto-plastic material. A parametric study had been conducted to understand the effect of volume fraction, and lamellae thickness of the hydride phase on the mechanical properties of the overall material. Results can help designers to alter the manufacturing process to obtain the enhanced mechanical properties for components used in nuclear applications made by Zircaloy material.

Kulkarni, Shank S.↗

DOE OSTI2026

A Parallel Kinetic Model for Surface and Bulk Charge Storage in ε -MnO 2 Pseudocapacitors

Pseudocapacitive materials such as manganese dioxide (MnO 2 ) are attractive for energy storage applications due to their ability to combine the fast kinetics of capacitors with the higher energy density of battery-type systems. However, the electrochemical behavior of MnO 2 remains difficult to interpret mechanistically, in part because existing models often fail to distinguish between surface-based redox processes and bulk intercalation mechanisms. In this work, we develop a physics-based model that represents MnO 2 pseudocapacitance as a linear combination of two independent, parallel electrochemical processes: (i) the surface or near-surface redox storage and (ii) lithium ion intercalation into the bulk material. These two processes are treated with distinct kinetic and thermodynamic parameters and are assumed to proceed independently. The total measured current is assumed to be the sum of these two partial currents. We validate the model using rate-dependent cyclic voltammetry experiments, demonstrating that it captures key trends and provides physically interpretable parameters reflecting the relative contributions of surface and bulk processes. By enabling a clear separation between these mechanisms, the model offers a useful framework for analyzing pseudocapacitive materials and can guide the rational design of high-performance energy storage electrodes.

Energy - Storage↗