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At least 829 records · Page 46

Latent Space Simulation for Carbon Capture Design Optimization

The CO2 capture efficiency in solvent-based carbon capture systems (CCSs) critically depends on the gas-solvent interfacial area (IA), making maximization of IA a foundational challenge in CCS design. While the IA associated with a particular CCS design can be estimated via a computational fluid dynamics (CFD) simulation, using CFD to derive the IAs associated with numerous CCS designs is prohibitively costly. However, previous works such as Deep Fluids (Kim et al., 2019) show that large simulation speed-ups and low error are achievable by replacing CFD simulators with neural-network (NN) surrogates that mimic the CFD simulation process. This raises the possibility for a fast, accurate replacement for a CFD simulator, and thus computationally feasible IA-based CCS-design optimization. As such, here, we explore whether an existing NN-surrogate approach (and variants we develop) can successfully be applied to our complex carbon-capture CFD simulations, with the ultimate goal of obtaining a fast and accurate simulator for our CCS-design application. Our experiments build on the Deep Fluids approach and find that resulting surrogates can produce large speed ups (4000x) while maintaining IA relative errors as low as 4% on unseen CCS configurations (interpolating between configurations seen during training). Thus, despite less faithfulness to the underlying physics of the problem, NN surrogates may be a promising tool for our CCS design optimization problem. Notably, though, the Deep Fluids approach has limitations for our application (such as model non-transferability to CCS-packing changes), which we discuss. We conclude with potential directions for future work that may, like innovations we introduced here (e.g., transformer-based dynamics prediction), improve performance on our complicated dataset of CCS CFD simulations.

AI Surrogate Simulation, Carbon Capture, design op↗

Advancement of Entry System Modeling to Support Exploration of Giant Planets

This paper describes NASA’s efforts to advance entry system modeling and simulation capabilities to support future exploration of Giant planets. The Giant planets are key destinations of interest to the planetary science community for their potential to provide insight into the formation and evolution of our Solar System, as well as extrasolar planetary systems. To date, the Galileo atmospheric probe is the only purpose-built entry probe to a Giant planet. Post-flight analysis of Galileo’s performance showed that there was significant recession of the thermal protection system (TPS), well beyond what was anticipated on the flank, and this was due in part to insufficiently accurate capability for estimating the flight environment and TPS response. While Galileo ultimately survived its flight, the example serves to highlight the great challenge of designing successful missions for environments that are poorly understood or where models have not yet been validated. An important means to reduce mission risks is the incorporation of physics-based modeling with well-quantified uncertainties. The emphasis on physics-based modeling – in contrast to empirically-driven models – is motivated by the fact that it is impossible to completely replicate entry environments through ground tests and, therefore, extrapolation to the flight environment is required. Basing analysis in fundamental physics removes the bias of ground test limitations, though one must then be careful to properly characterize model inputs, simplifying assumptions, and the limits wherein the model is valid. NASA’s Entry Systems Modeling (ESM) Project is tasked with investigating such considerations for planetary science missions across the Solar System, and in recent years has begun to do so for Giant planets. The most distinctive features of the Giant planets, from an entry system perspective, are the atmospheres composed primarily of hydrogen and helium. The entry velocities of proposed missions are generally very large and can therefore be expected to result in significant convective and radiative heating generated by the vehicle’s shock layer. Yet thermochemical behavior of the hydrogen-helium system is not well understood under such conditions. The ESM project is leading efforts to develop accurate thermochemical databases based on state-of-the-art measurements in the Electric Arc Shock Tube and detailed computational chemistry. The large heat fluxes anticipated by missions has driven interest in new TPS materials, in particular woven materials, which may be enabling but have never been flown before. Consequently, multiscale models are in development to describe properties and performance of the materials from micro- to system-scale. The goal is to not only provide accurate thermal response but also to inform thermostructural reliability predictions for extreme entries. Additionally, new computational models have been developed to evaluate performance of non-destructive evaluation techniques which are vital to establishing acceptance of systems to be free of manufacturing faults like material cracking, voids, and debonding. Finally, in the area of guidance and control, aerocapture has been shown conceptually to provide a number of mission benefits, including reducing transit time and increasing payload fraction. The ESM project is building a launch-to-landing trajectory simulation capability to enable detailed studies of aerocapture maneuvers in the context of Giant planets missions. The final presentation and paper will describe each of these topics in detail, including discussion of specific gaps and the technical approach to solving them. In addition, the final paper will briefly discuss ongoing coordination between ESM project work and an ESA-funded technology development activity comprised of validation testing in the Oxford T6, IRS PWK and IST ESTHER tunnels, as well as state-to-state modeling of the shock layer to better represent non-Boltzmann energy distributions leading to non-equilibrium radiation.

Entry systems↗

Use of Soft Computing Technologies for a Qualitative and Reliable Engine Control System for Propulsion Systems

The problem to be addressed in this paper is to explore how the use of Soft Computing Technologies (SCT) could be employed to improve overall vehicle system safety, reliability, and rocket engine performance by development of a qualitative and reliable engine control system (QRECS). Specifically, this will be addressed by enhancing rocket engine control using SCT, innovative data mining tools, and sound software engineering practices used in Marshall's Flight Software Group (FSG). The principle goals for addressing the issue of quality are to improve software management, software development time, software maintenance, processor execution, fault tolerance and mitigation, and nonlinear control in power level transitions. The intent is not to discuss any shortcomings of existing engine control methodologies, but to provide alternative design choices for control, implementation, performance, and sustaining engineering, all relative to addressing the issue of reliability. The approaches outlined in this paper will require knowledge in the fields of rocket engine propulsion (system level), software engineering for embedded flight software systems, and soft computing technologies (i.e., neural networks, fuzzy logic, data mining, and Bayesian belief networks); some of which are briefed in this paper. For this effort, the targeted demonstration rocket engine testbed is the MC-1 engine (formerly FASTRAC) which is simulated with hardware and software in the Marshall Avionics & Software Testbed (MAST) laboratory that currently resides at NASA's Marshall Space Flight Center, building 4476, and is managed by the Avionics Department. A brief plan of action for design, development, implementation, and testing a Phase One effort for QRECS is given, along with expected results. Phase One will focus on development of a Smart Start Engine Module and a Mainstage Engine Module for proper engine start and mainstage engine operations. The overall intent is to demonstrate that by employing soft computing technologies, the quality and reliability of the overall scheme to engine controller development is further improved and vehicle safety is further insured. The final product that this paper proposes is an approach to development of an alternative low cost engine controller that would be capable of performing in unique vision spacecraft vehicles requiring low cost advanced avionics architectures for autonomous operations from engine pre-start to engine shutdown.

Trevino, Luis↗

Building confidence in models for complex barrier systems for radionuclides

The modeling and simulation of the Cement-clay Interaction-Diffusion field (CI-D) experiment at the Mont Terri site in Switzerland presented here demonstrates that it is possible to capture the multiscale physical and chemical features of natural and engineered barrier systems for radionuclides. The simulations are successfully carried out with the newly developed CrunchODiTi high-performance computing software that accounts for multiple continua, including a continuum representing the electrical double layer (EDL) developed along negatively charged clay particles in clay rock. The simulation also accounts for both the complex three-dimensional (3D) geometry, expected as the norm in a geological waste repository, and the anisotropy of the geological formation. In addition, the high resolution of the model makes it possible to include "skin effects" developed at the interface between highly reactive materials, in this case between the high pH cement and the circumneutral but electrostatic Opalinus Clay. The successful history matching with the field experiment demonstrates that the distinct geochemical and physical properties of the cement and the Opalinus Clay in the CI-D experiment can be accounted for. Such analyses are essential for developing a defensible safety case for the underground storage of radioactive waste.

Sarsenbayev, Dauren↗

The interactive indoor-outdoor building energy modeling for enhancing the predictions of urban microclimates and building energy demands

There is a lack of an urban building energy modeling framework that considers the influence of surrounding buildings and local urban climate on building thermal performance. This can lead to inaccurate results since the thermal performance of individual buildings is heavily influenced by their surrounding built and climatic environment. This study establishes an interactive indoor-outdoor building energy modeling method to enhance the predictions of urban microclimates and building energy demands by coupling an urban physics model with a physics-based building energy model. Validation of the interactive coupling scheme uses field measurement datasets. Parametric simulation and analysis are conducted to understand the influence of the roof-to-canyon width ratio, canyon orientation, and ground vegetation fraction on canyon temperature, building energy consumption, and energy demand. Furthermore, the impacts of building energy model complexity (e.g., detailed vs. simplified building models) and coupling approaches on canyon temperature and building energy profiles are demonstrated using two case study buildings. In comparison with the one-way coupling approach, cooling energy consumption predicted with the dynamic two-way coupling approach varies by 3.5% and 0.5% for the detailed medium office building model and high-rise building model, respectively, and peak cooling demand varies by 8.4% and 7.0% for the detailed medium office building model and high-rise building model, respectively. Here this study also suggests that adopting a complex two-way coupling approach with environmental data exchange at various elevations is necessary for modeling tall buildings at the urban scale.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Transformer Health Monitoring via Synchrophasors

Traditional transformer protection schemes such as differential protection operate once the transformer is in a critical state. Proactive means of transformer health evaluation such as Sweep Frequency Response Analysis, can only be performed periodically with the transformer out-of-service. This work presents a framework where the health and structural integrity of transformers is monitored via synchrophasors in real-time. Synchrophasors and subspace estimation techniques are used to build reduced-order models which are then analyzed across multiple domains. A diagnostics algorithm is developed and tested via Matlab simulations. Test results are promising, opening up new prospects in transformer protection research.

cyber-physical security↗

State Dependent Optimization with Quantum Circuit Cutting

Quantum circuits can be reduced through optimization to better fit the constraints of quantum hardware. One such method, initial-state dependent optimization (ISDO), reduces gate count by leveraging knowledge of the input quantum states. Surprisingly, we found that ISDO is broadly applicable to the downstream circuits produced by circuit cutting. Circuit cutting also requires measuring upstream qubits and has some flexibility of selection observables to do reconstruction. Therefore, we propose a state-dependent optimization (SDO) framework that incorporates ISDO, our newly proposed measure-state dependent optimization (MSDO), and a biased observable selection strategy. Building on the strengths of the SDO framework and recognizing the scalability challenges of circuit cutting, we propose nonseparate circuit cutting-a more flexible approach that enables optimizing gates without fully separating them. We validate our methods on noisy simulations of QAOA, QFT, and BV circuits. Results show that our approach consistently mitigates noise and improves overall circuit performance, demonstrating its promise for enhancing quantum algorithm execution on near-term hardware.

Li, Xinpeng↗

Human Factors in Training - Space Medicine Proficiency Training

The early Constellation space missions are expected to have medical capabilities very similar to those currently on the Space Shuttle and International Space Station (ISS). For Crew Exploration Vehicle (CEV) missions to ISS, medical equipment will be located on ISS, and carried into CEV in the event of an emergency. Flight Surgeons (FS) on the ground in Mission Control will be expected to direct the Crew Medical Officer (CMO) during medical situations. If there is a loss of signal and the crew is unable to communicate with the ground, a CMO would be expected to carry out medical procedures without the aid of a FS. In these situations, performance support tools can be used to reduce errors and time to perform emergency medical tasks. Work on medical training has been conducted in collaboration with the Medical Training Group at the Space Life Sciences Directorate and with Wyle Lab which provides medical training to crew members, Biomedical Engineers (BMEs), and to flight surgeons under the JSC Space Life Sciences Directorate s Bioastronautics contract. The space medical training work is part of the Human Factors in Training Directed Research Project (DRP) of the Space Human Factors Engineering (SHFE) Project under the Space Human Factors and Habitability (SHFH) Element of the Human Research Program (HRP). Human factors researchers at Johnson Space Center have recently investigated medical performance support tools for CMOs on-orbit, and FSs on the ground, and researchers at the Ames Research Center performed a literature review on medical errors. The work proposed for FY10 continues to build on this strong collaboration with the Space Medical Training Group and previous research. This abstract focuses on two areas of work involving Performance Support Tools for Space Medical Operations. One area of research building on activities from FY08, involved the feasibility of just-in-time (JIT) training techniques and concepts for real-time medical procedures. In Phase 1, preliminary feasibility data was gathered for two types of prototype display technologies: a hand-held PDA, and a Head Mounted Display (HMD). The PDA and HMD were compared while performing a simulated medical procedure using ISS flight-like medical equipment. Based on the outcome of Phase 1, including data on user preferences, further testing was completed using the PDA only. Phase 2 explored a wrist-mounted PDA, and compared it to a paper cue card. For each phase, time to complete procedures, errors, and user satisfaction ratings were captured.

Connell, Erin↗

2024 Nasa Lunabotics University Competition: Site Preparation With Bulk Regolith

Introduction: Lunabotics provides accredited institutions of higher learning students (vocational-technical, college, university) an opportunity to apply the NASA systems engineering process to design and build a prototype robot. This robot would be capable of performing the proposed operations on the Lunar surface in support of future Artemis mission goals. Lunabotics features a systems engineering design challenge to engage students in the next phase of hu-man space exploration supporting the Artemis missions. This two-semester event encourages students to design and build an autonomous or telerobotic robot designed to traverse the simulated Lunar surface and complete the assigned construction tasks. The number of teams accepted into this challenge is not predetermined but is based on the scores and overall quality of the Project Management Plans received and other factors. The culmination of the Lunabotics virtual challenge will be the design, build and operation of a functional prototype Lunar robot. Teams are required to submit the following: (1) Project Management Plan, (2) Systems Engineering Paper, a (3) STEM Engage-ment Report, and a (4) Proof of Life Video. This is an optional item, but to qualify for the grand prize a team must also submit a: (5) Presentation and Demonstration. Background: The NASA Lunabotics University Competition was first held in 2010 as a follow on to the NASA Regolith Excavation Challenge [1]. The high level of interest and participation from over 50 universities each year has led to a sustained annual competi-ion cadence: it has been held every May for the past 14 years [2,3]. Over 6,000 students have participated and been inspired to pursue Science, Technology, En-gineering and Mathematics careers (STEM). 2024 Competition: The necessary lunar surface tasks are evolving to meet the NASA Artemis Mission requirements. In the past Lunabotics challenges we gathered data to support Lunar mining for consuma-bles in the Lunar regolith. Now, in 2024, the task is to gather data on Lunar site preparation and construction by designing and building a robot that will traverse the chaotic Lunar terrain and construct a regolith-based berm. The goal is to build a berm structure which would be useful to the Artemis Mission for blast and ejecta protection during lunar landings and launches, shading cryogenic propellant tank farms, providing radiation protection around a nuclear power plant and other mission critical uses. Lunabotics will consist of three separate events this year. The first event is NASA’s Lunabotics Project Development Challenge, where teams submit various deliverables to be scored by judges. The second event will be the University of Central Florida (UCF) Lunabotics Qualification challenge, in the Exolith laboratory, where teams will put their de-signs to the test. The top ten scoring teams from the Qualification challenge are then invited to the third and final event, NASA’s Lunabotics On-Site Challenge at Kennedy Space Center in Florida. This presentation will summarize the results and lessons learned from the NASA Lunabotics University Competition held in May 2024.

Lunabotics↗

Supercharging simulation-based inference for Bayesian optimal experimental design

Abstract Bayesian optimal experimental design (BOED) seeks to maximize the expected information gain (EIG) of experiments. This requires a likelihood estimate, which in many settings is intractable. Simulation-based inference (SBI) provides powerful tools for this regime. However, existing work explicitly connecting SBI and BOED is restricted to a single contrastive EIG bound. We show that the EIG admits multiple formulations which can directly leverage modern SBI density estimators, encompassing neural posterior, likelihood, and ratio estimation. Building on this perspective, we define a novel EIG estimator using neural likelihood estimation. Further, we identify optimization as a key bottleneck of gradient based EIG maximization and show that a simple multi-start parallel gradient ascent procedure can substantially improve reliability and performance. With these innovations, our SBI-based BOED methods are able to match or outperform by up to 22% existing state-of-the-art approaches across standard BOED benchmarks.

97 MATHEMATICS AND COMPUTING↗

PYSEQM

PYSEQM is a package for performing semi-empirical quantum mechanical (SEQM) simulations on molecular systems utilizing PyTorch. SEQM simulations determine molecular properties (energy, electron density, dipole moment, ect.) by solving an approximate Schrödinger equation for the motions of electrons in a molecule. The use of PyTorch provides three specific advantages. First, it allows the calculations to be offloaded to GPU accelerators, giving an order of magnitude increase in speed. Second, back propagation is used to get atomic forces (derivative of the total energy with respect to atomic position) at the same computational cost as the energy calculation itself. Finally, the use of PyTorch makes for a natural interface to modern machine learning methods, which can be used to adjust the semi-empirical parameters build into SEQM methods. Additionally, PYSEQM implements various other optimizations for performing quantum mechanics based molecular dynamics, including SP2 for rapid GPU based solution of the self-consistent field algorithm, and the extended Lagrangian method for rapid QM-MD.

Nebgen, Benjamin↗

A Hybrid Heavy Duty Diesel Power System for Off-Road Applications—Concept Validation

A multiyear power system R&D program was completed with the objective of developing an off-road hybrid heavy duty diesel engine with front end accessory drive-integrated energy storage. This system was validated to deliver 10.5–25.6% reduction in fuel consumption over current Tier 4 Final-based 18L diesel engines, over various off-road machine application cycles. The power system consisted of a downsized heavy-duty diesel 13L engine containing advanced combustion technologies, capable of elevated peak cylinder pressures and thermal efficiencies, thermal barrier coatings, exhaust waste heat recovery via SuperTurbo™ turbocompounding, and hybrid energy assisting and recovery through both mechanical and electrical systems. Following the concept definition, design, and analysis phases of the program, the final phase focused on building and validating the performance and efficiency in laboratory tests. While aspects of the system such as start/stop and reduced off-road cooling package energy losses were only analytically evaluated, the main 13L concept engine with full hybrid system was successfully built and tested in steady-state and in transient certification and real-world application cycles. Extensive simulations in Caterpillar's DYNASTY™ software environment utilized the validation test data to assess performance more fully and confidently over varied cycles and strategies. An average fuel consumption reduction of 17.9% was realized, and the majority (~13%) of the benefit stemmed from the core concept 13L engine. In conclusion, a total cost of ownership analysis provides context to commercial viability and where adoption focus should be placed.

33 ADVANCED PROPULSION SYSTEMS↗

Surrogate Model of Flexible Research Platform EnergyPlus Models to Enable Sensitivity Analysis

This letter report describes the surrogate models developed from the EnergyPlus model of Oak Ridge National Laboratory’s Flexible Research Platform. Two data-driven black-box models were developed, and the outputs of the surrogate models were compared with the EnergyPlus model. The two models developed are a multilayer perceptron deep learning model, and a long short-term memory (LSTM) neural network model. The three factors for selecting the black-box models are scalability, computation time, and accuracy. A total of 107 input variables were the dominant variables in determining the outputs of building energy consumptions and thermal comfort. A total of 54 output variables were identified as the prediction targets, including the system- and zone-level outputs. The large set of the simulation cases were generated by integrating sensor errors into an emulator based on EnergyPlus and Python EMS, which includes advanced control sequences from ASHRAE Guideline 36-2018: High-Performance Sequences of Operation. The surrogate models were developed based on a set of large-scale simulation runs (i.e., 4,000 runs) on a cloud platform. The comparison analysis shows that the two black-box models had good accuracy for predicting new outputs for sensitivity analysis using the root mean square error metric. As a next step, the developed surrogate models will be used to perform sensitivity analysis for different sensor impacts (e.g., sensor types, sensor locations).

42 ENGINEERING↗

OC6 Phase Ia Definition Document: Validation of Nonlinear Hydrodynamic Loading on the DeepCwind Semisubmersible

The objective of OC6 Phase I is to investigate the persistent under-prediction (about 20% on average) of the structural loads in the OC5-DeepCwind floating semisubmersible wind system, as observed within the previous OC5 Phase II project. The OC5 results indicate that much of this under-prediction originates from the low-frequency response of the system at the surge/pitch natural frequencies, resulting from nonlinear hydrodynamic loading and/or overprediction of hydrodynamic damping. This work package therefore focuses on better understanding this low-frequency response behavior, the applicability of computational-fluid-dynamics (CFD) models and engineering-level hydrodynamic models for predicting the nonlinear hydrodynamic loading, and the level of uncertainty in the measured response characteristics. To address these objectives, two experimental campaigns were developed and performed in 2017 and 2018 by a sub-group of the OC5 project: Floating test campaign: A simplified OC5-DeepCwind semisubmersible model (no turbine, rigid tower) was moored to three taut-spring lines and subjected to motion decay and wave tests (regular and irregular waves), during which motion amplitudes of the model were measured (see Figure 1a). The purpose of this test campaign was to examine the repeatability of the low-frequency response of the system to wave excitation and determine the level of uncertainty in the response behavior.Constrained test campaign: The same model, but without the tower present, was fixed to a carriage and subjected to towing, forced oscillation and wave tests (regular and irregular waves), during which forces exerted upon the model were measured (see Figure 1b). The purpose of this test campaign was to examine the hydrodynamic loading contributions by separating the wave excitation and radiation forces. Both model test campaigns were performed in the concept basin of the Maritime Research Institute Netherlands (MARIN) in Wageningen, the Netherlands and the first test was within the framework of the MARINET2 project. Both experimental campaigns were examined within Phase Ia of the OC6 project. The purpose of this report is to supply the needed information to participants of the OC6 project to build and simulate the experimental campaigns.

17 WIND ENERGY↗

SIMWEST - A simulation model for wind energy storage systems

This paper describes a comprehensive and efficient computer program for the modeling of wind energy systems with storage. The level of detail of SIMWEST (SImulation Model for Wind Energy STorage) is consistent with evaluating the economic feasibility as well as the general performance of wind energy systems with energy storage options. The software package consists of two basic programs and a library of system, environmental, and control components. The first program is a precompiler which allows the library components to be put together in building block form. The second program performs the technoeconomic system analysis with the required input/output, and the integration of system dynamics. An example of the application of the SIMWEST program to a current 100 kW wind energy storage system is given.

Edsinger, R. W.↗

Taking advantage of ground data systems attributes to achieve quality results in testing software

During the software development life cycle process, basic testing starts with the development team. At the end of the development process, an acceptance test is performed for the user to ensure that the deliverable is acceptable. Ideally, the delivery is an operational product with zero defects. However, the goal of zero defects is normally not achieved but is successful to various degrees. With the emphasis on building low cost ground support systems while maintaining a quality product, a key element in the test process is simulator capability. This paper reviews the Transportable Payload Operations Control Center (TPOCC) Advanced Spacecraft Simulator (TASS) test tool that is used in the acceptance test process for unmanned satellite operations control centers. The TASS is designed to support the development, test and operational environments of the Goddard Space Flight Center (GSFC) operations control centers. The TASS uses the same basic architecture as the operations control center. This architecture is characterized by its use of distributed processing, industry standards, commercial off-the-shelf (COTS) hardware and software components, and reusable software. The TASS uses much of the same TPOCC architecture and reusable software that the operations control center developer uses. The TASS also makes use of reusable simulator software in the mission specific versions of the TASS. Very little new software needs to be developed, mainly mission specific telemetry communication and command processing software. By taking advantage of the ground data system attributes, successful software reuse for operational systems provides the opportunity to extend the reuse concept into the test area. Consistency in test approach is a major step in achieving quality results.

Sigman, Clayton B.↗

Integration of Open-Source URBANopt and Dragonfly Energy Modeling Capabilities into Practitioner Workflows for District-Scale Planning and Design

High-performance districts and communities offer opportunities for reducing energy use, emissions, and costs, and can be instrumental in helping cities achieve their climate goals. The design of such communities requires identification of opportunities early on and their re-evaluation throughout the planning process. There is a need for energy modeling tools that connect 3D Computer-Aided Design (CAD) platforms to simulation engines, enabling detailed energy analysis of districts within the workflows and tools used by practitioners. This paper introduces the Dragonfly and URBANoptTM combined toolset that supports the creation of urban models from a range of geometry formats typically used by designers and planners, and provides an integrated pathway to simulate district-scale energy systems. The toolset is piloted by a global architecture and master planning firm to evaluate several key urban-scale technical questions for the design of a district in Chicago. The findings indicate that, while energy savings can be achieved through traditional architectural studies and enhancements to individual building efficiency, the modeling toolset helps identify additional savings and insights that can be achieved when considering district-scale energy systems. Finally, this study demonstrates how the Dragonfly/URBANopt toolset can integrate with master planning workflows, thereby enabling an iterative performance-based design process.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Global Influence of Organic Aerosol Volatility on Aerosol Microphysical Processes: Composition and Number

We present MATRIX-VBS, a new aerosol scheme that simulates organic partitioning in an aerosol microphysics model, as part of the NASA GISS ModelE Earth System Model. MATRIX-VBS builds on its predecessor aerosol microphysics model MATRIX (Bauer et al., 2008, https://doi.org/10.5194/acp-8-6003-2008) and was developed in the box model framework (Gao et al., 2017, https://doi.org/10.5194/gmd-10-751-2017). The scheme features the inclusion of organic partitioning between the gas and particle phases and the photochemical aging process using the volatility-basis set (Donahue et al., 2006, https://doi.org/10.1021/es052297c). To assess the performance of the new model, we compared its mass concentration, number concentration, and activated number concentration to the original scheme MATRIX, and evaluated its mass concentrations in four seasons against data from the NASA Atmospheric Tomography Mission (ATom) aircraft campaign. Results from MATRIX-VBS show that organics are transported further away from their source, and their mass concentration increases aloft and decreases at the surface compared to those in MATRIX. The mass concentration of organics at the surface agrees well with measurements, and there are discrepancies for vertical profiles aloft. In the new scheme, the global mass load of organic aerosols increased by 50%, there is also an increased number of particles at the surface and fewer activated ones in most regions. The new scheme presents advanced and more comprehensive capability in simulating aerosol processes.

aerosol modeling↗