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NASA NTRS2018

Autonomous Power Controller for the NASA Gateway

Intelligent autonomous control of a spacecraft is an enabling technology that must be developed for deep space human exploration. NASA's current long term human space platform, the International Space Station which is in Low Earth Orbit, is in almost continuous communication with ground based mission control. This allows near real-time operation of all the vehicle core systems, including power, from the ground. As the focus shifts from Low Earth Orbit to deep space, challenges associated with communication time-lag and bandwidth limitations beyond geosynchronous orbit do not permit this type of ground based operation. These communication limitations motivate autonomous vehicle operations, including the vehicle subsystems such as power. This presentation will describe the ongoing development of an Autonomous Power Control (APC) system that can be used for a deep space exploration spacecraft. This work extends previous work on developing an autonomous power control which includes developing a control architecture for deep space vehicles, the use of software agents, and constructing a control simulation lab for demonstrating this capability. This presentation will begin with a discussion of the representative future power architectures that will be required for deep space exploration vehicles. The presentation then will describe how the power controller will integrate with the vehicle followed with a discussion of the autonomous power controller. Next it will describe the test setup used to evaluate the performance of the system and lastly show some of the test results. To develop the type of controller envisioned, it will be necessary to employ a detailed real-time simulation to evaluate its performance and ultimately verify its functionality.

Csank, Jeffrey↗

NASA NTRS2018

Autonomous Power Control

Intelligent autonomous control of a spacecraft is an enabling technology that must be developed for deep space human exploration. NASA's current long term human space platform, the International Space Station which is in Low Earth Orbit, is in almost continuous communication with ground based mission control. This allows near realtime operation of all the vehicle core systems, including power, from the ground. As the focus shifts from Low Earth Orbit to deep space, challenges associated with communication time-lag and bandwidth limitations beyond geosynchronous orbit do not permit this type of ground based operation. These communication limitations motivate autonomous vehicle operations, including the vehicle subsystems such as power. This presentation will describe the ongoing development of an Autonomous Power Control (APC) system that can be used for a deep space exploration spacecraft. This work extends previous work on developing an autonomous power control which includes developing a control architecture for deep space vehicles, the use of software agents, and constructing a control simulation lab for demonstrating this capability. This presentation will begin with a discussion of the representative future power architectures that will be required for deep space exploration vehicles. The presentation then will describe how the power controller will integrate with the vehicle followed with a discussion of the autonomous power controller. Next it will describe the test setup used to evaluate the performance of the system and lastly show some of the test results. To develop the type of controller envisioned, it will be necessary to employ a detailed real-time simulation to evaluate its performance and ultimately verify its functionality.

Csank, Jeffrey↗

DOE OSTI2022

Multi-objective goal-directed optimization of de novo stable organic radicals for aqueous redox flow batteries

Abstract Advances in the field of goal-directed molecular optimization offer the promise of finding feasible candidates for even the most challenging molecular design applications. One example of a fundamental design challenge is the search for novel stable radical scaffolds for an aqueous redox flow battery that simultaneously satisfy redox requirements at the anode and cathode, as relatively few stable organic radicals are known to exist. To meet this challenge, we develop a new open-source molecular optimization framework based on AlphaZero coupled with a fast, machine-learning-derived surrogate objective trained with nearly 100,000 quantum chemistry simulations. The objective function comprises two graph neural networks: one that predicts adiabatic oxidation and reduction potentials and a second that predicts electron density and local three-dimensional environment, previously shown to be correlated with radical persistence and stability. With no hard-coded knowledge of organic chemistry, the reinforcement learning agent finds molecule candidates that satisfy a precise combination of redox, stability and synthesizability requirements defined at the quantum chemistry level, many of which have reasonable predicted retrosynthetic pathways. The optimized molecules show that alternative stable radical scaffolds may offer a unique profile of stability and redox potentials to enable low-cost symmetric aqueous redox flow batteries.

25 ENERGY STORAGE↗

DOE OSTI2025

High-pressure reduction of carbon dioxide in reactive liquid mixtures

Density-functional theory based molecular-dynamics simulations were used to investigate high-pressure chemical reactions in liquid mixtures of CO 2 with several elements (Si, Mn, and Fe) at high temperatures of 2000-3000 K. Our ab initio simulations indicate that these reactant elements can reduce CO 2 to C at high pressures (20 GPa) leading to the formation of C-C chains, with Si by far the most effective carbon-reducing agent. A combined chemical analysis using Bader charge analysis and Crystal Orbital Hamilton Population (COHP) on simulation snapshots shows that significant charge transfer from the reducing element to the C atoms creates instability in the C-O covalent bonds. COHP analysis further shows that Mn/Fe-O and Mn/Fe-C bonding interactions are weaker compared to the Si counterparts. These results further our understanding of the redox chemistry of CO 2 at conditions relevant to planetary mantle interiors and demonstrate the effectiveness of high pressure in the reduction of CO 2 directly to solid carbon.

Ab initio molecular dynamics↗

NASA NTRS2015

An Integrated Framework for Modeling Air Carrier Behavior, Policy, and Impacts in the U.S. Air Transportation System

The implementation of the Next Generation Air Transportation System (NextGen) in the United States is an ongoing challenge for policymakers due to the complexity of the air transportation system (ATS) with its broad array of stakeholders and dynamic interdependencies between them. The successful implementation of NextGen has a hard dependency on the active participation of U.S. commercial airlines. To assist policymakers in identifying potential policy designs that facilitate the implementation of NextGen, the National Aeronautics and Space Administration (NASA) and LMI developed a research framework called the Air Transportation System Evolutionary Simulation (ATS-EVOS). This framework integrates large empirical data sets with multiple specialized models to simulate the evolution of the airline response to potential future policies and explore consequential impacts on ATS performance and market dynamics. In the ATS-EVOS configuration presented here, we leverage the Transportation Systems Analysis Model (TSAM), the Airline Evolutionary Simulation (AIRLINE-EVOS), the Airspace Concept Evaluation System (ACES), and the Aviation Environmental Design Tool (AEDT), all of which enable this research to comprehensively represent the complex facets of the ATS and its participants. We validated this baseline configuration of ATS-EVOS against Airline Origin and Destination Survey (DB1B) data and subject matter expert opinion, and we verified the ATS-EVOS framework and agent behavior logic through scenario-based experiments that explored potential implementations of a carbon tax, congestion pricing policy, and the dynamics for equipage of new technology by airlines. These experiments demonstrated ATS-EVOS's capabilities in responding to a wide range of potential NextGen-related policies and utility for decision makers to gain insights for effective policy design.

Horio, Brant M.↗

DOE OSTI2020

Multi-agent motion planning with sporadic communications for collision avoidance

Here, a novel multi-vehicle motion planning and collision avoidance algorithm is proposed and analyzed. The algorithm aims to reduce the amount of onboard calculations and inter-agent communications needed for each vehicle to successfully navigate through an environment with static obstacles and reach their goals. To this end, each agent first calculates a path to the goal by means of an asymptotically optimal rapidly-exploring random tree (RRT*) with respect to the static obstacles. Then, other agents are treated as dynamic obstacles and potential collisions are determined by means of collision cones. Collision cones depend on the position and velocity from other agents and are grown conservatively between inter-agent communications. Based on the available information, each agent determines if a deconfliction maneuver is needed, if it can continue along its current path, or if communication is needed to make a decision about a conflict. With probability one, our algorithm guarantees that the agents keep from colliding with each other. Under an assumption on the existence of a solution for a vehicle to its goal, this algorithm also solves the planning problem with probability one. Simulations illustrate a group of agents successfully reaching their goal configurations and examine how the uncertainty affects the communication frequency of the multi-agent system.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS2015

Reinforcement Learning with Autonomous Small Unmanned Aerial Vehicles in Cluttered Environments

We present ongoing work in the Autonomy Incubator at NASA Langley Research Center (LaRC) exploring the efficacy of a data set aggregation approach to reinforcement learning for small unmanned aerial vehicle (sUAV) flight in dense and cluttered environments with reactive obstacle avoidance. The goal is to learn an autonomous flight model using training experiences from a human piloting a sUAV around static obstacles. The training approach uses video data from a forward-facing camera that records the human pilot's flight. Various computer vision based features are extracted from the video relating to edge and gradient information. The recorded human-controlled inputs are used to train an autonomous control model that correlates the extracted feature vector to a yaw command. As part of the reinforcement learning approach, the autonomous control model is iteratively updated with feedback from a human agent who corrects undesired model output. This data driven approach to autonomous obstacle avoidance is explored for simulated forest environments furthering autonomous flight under the tree canopy research. This enables flight in previously inaccessible environments which are of interest to NASA researchers in Earth and Atmospheric sciences.

Tran, Loc↗

DOE OSTI2024

Dyn$\mathrm{AMO}$: Multi-agent reinforcement learning for dynamic anticipatory mesh optimization with applications to hyperbolic conservation laws

Here we introduce DynAMO, a reinforcement learning paradigm for Dynamic Anticipatory Mesh Optimization. Adaptive mesh refinement is an effective tool for optimizing computational cost and solution accuracy in numerical methods for partial differential equations. However, traditional adaptive mesh refinement approaches for time-dependent problems typically rely only on instantaneous error indicators to guide adaptivity. As a result, standard strategies often require frequent remeshing to maintain accuracy. In the DynAMO approach, multi-agent reinforcement learning is used to discover new local refinement policies that can anticipate and respond to future solution states by producing meshes that deliver more accurate solutions for longer time intervals. By applying DynAMO to discontinuous Galerkin methods for the linear advection and compressible Euler equations in two dimensions, we demonstrate that this new mesh refinement paradigm can outperform conventional threshold-based strategies while also generalizing to different mesh sizes, remeshing and simulation times, and initial conditions.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2004

Suppression Characteristics of Cup-Burner Flames in Low Gravity

The structure and suppression of laminar methane-air co-flow diffusion flames formed on a cup burner have been studied experimentally and numerically using physically acting fire-extinguishing agents (CO2, N2, He, and Ar) in normal earth (lg) and zero gravity (0g). The computation uses a direct numerical simulation with detailed chemistry and radiative heat-loss models. An initial observation of the flame without agent was also made at the NASA Glenn 2.2-Second Drop Tower. An agent was introduced into a low-speed coflowing oxidizing stream by gradually replacing the air until extinguishment occurred under a fixed minimal fuel velocity. The suppression of cup-burner flames, which resemble real fires, occurred via a blowoff process (in which the flame base drifted downstream) rather than the global extinction phenomenon typical of counterflow diffusion flames. The computation revealed that the peak reactivity spot (the reaction kernel) formed in the flame base was responsible for attachment and blowoff phenomena of the trailing diffusion flame. The thermal and transport properties of the agents affected the flame extinguishment limits.

Takahashi, Fumiaki↗

NASA NTRSDate not supplied

SafeMAP: Safe Multi-Agent Planning Framework Based on Dynamic Probabilistic Risk Assessment

This paper proposes a risk-aware framework for Safe Multi-Agent Planning (SafeMAP) that unifies disparate models for multi-agent systems in a Markovian process that allows for simultaneous system health monitoring, decision making under uncertainty, and multi-agent system collaboration. As operations beyond low earth orbit mature, there is an increased need for autonomous cyber-physical systems with onboard decision making capabilities. Multi-agent cyber-physical systems in particular offer the potential of increased efficiency, resiliency, and mission capabilities for future applications such as multi-rover terrain operations, distributed satellite operations, and management of smart lunar habitats. SafeMAP utilizes physics-based models of each agent and the relevant components, probability models of the environment and component operational states, and reward models for mission-specific objectives such as scientific task completion or resource consumption. The output of SafeMAP is a set of mission plans that satisfy the mission objective under specified risk/reward constraints. A readable interpretation of each of these generated mission plans is provided as an additional output. SafeMAP has been demonstrated on a simulated case study involving a four-rover system performing surface mapping operations and science tasks. Results of this paper demonstrate SafeMAP’s ability to generate explainable mission plans that satisfy the mission objective while minimizing risk under nominal and off-nominal conditions.

Mohammad Hejase↗

NASA NTRSDate not supplied

SafeMAP: Safe Multi-Agent Planning framework based on Dynamic Probabilistic Risk Assessment

Mohammad Hejase↗

DOE OSTI2024

Pedestrian-Involved Traffic Signal Optimization Using Decentralized Graph-based Multi-Agent Reinforcement Learning

Incorporating pedestrian movements in traffic signal timing optimization is essential for ensuring smooth and safe urban transportation systems. To develop an effective signal timing plan, it is crucial to comprehend how various pedestrian accommodation strategies impact both vehicle and pedestrian flow. This study explores the application of the Decentralized Graph-based Multi-Agent Reinforcement Learning (DGMARL) method for signal timing optimization. It considers both pedestrian and vehicle traffic state and assesses the effects of fixed and adaptive pedestrian request response on traffic and signal timing. The evaluation of DGMARL encompasses vehicles Eco_PI which is fuel consumption impact related to vehicle stops and stop delay, and pedestrian waiting time to ensure overall system efficiency. The proposed approach was evaluated using a Digital Twin microscopic traffic simulation model of MLK Smart Corridor in Chattanooga, Tennessee. The evaluation outcomes of vehicles Eco_PI, pedestrian waiting time and serving time are compared with the actuated and DGMARL signal timing with fixed pedestrian recall and minimum recall to determine the most suitable approaches for various traffic conditions. The results indicated that, on average, the strategy of Signal timing optimization with adaptive pedestrian request response improved the Eco_PI by 32.43%, and Signal timing optimization with both automated pedestrian traffic demand and adaptive pedestrian request response improved the Eco_PI by 31.62% compared to the actuated and DGMARL signal timing with fixed pedestrian recall and minimum recall.

K Kumarasamy, Vijayalakshmi↗

NASA NTRSDate not supplied

A Distributed Simulation-to-Flight Framework to Support Investigating Trust/Trustworthiness in Multi-Agent Systems

As autonomous systems continue to grow both in use and complexity, the necessity for robust and extensible simulation-to-flight frameworks is paramount for establishing an effective architecture for autonomous systems. Hardware test flights are time-consuming and cost prohibitive during early system design and development. Simulation environments can be useful tools to accelerate algorithm development and testing. However, transitions from simulation to flight (sim-to-flight) can be challenging, unless systems are designed with this transition in mind and with the necessary capabilities built into the architecture and framework. One of the objectives of Autonomy Teaming and TRAjectories for Complex Trusted Operational Reliability (ATTRACTOR) was to design and develop a distributed mixed-reality simulation environment to begin establishing a basis for certification of autonomous systems via research into trust and trustworthiness. ATTRACTOR’s objective was to construct computational concepts of trustworthiness and justifiable trust in multi-agent autonomous teams, to inform future certification of safety-critical and time-critical autonomous systems in aviation. In this paper, we present an autonomous systems architecture and development framework paired with a persistent distributed modeling and simulation (ModSim) environment for test and evaluation of autonomous systems. They were designed under ATTRACTOR in order to measure and establish trustworthiness and trust in single-and multi-agent human-machine systems whether these machines are fixed-wing general aviation, rotary-wing Unmanned Aerial Vehicles (UAVs), ground rovers, or even spacecraft. The Autonomous Entity Operational Network (AEON) framework enables autonomous system development with an easily extensible collection of libraries and plug-n-play nodes facilitated by the Data Distribution Service (DDS) communication protocol standard. The Baseline Environment for Autonomous Modeling (BEAM) simulation environment is a distributed mixed-reality Unity™-based environment built around the same DDS communication paradigm allowing for easy integration with AEON-based autonomous applications, enabling sim-to-flight with minimal configuration changes. Using AEON and BEAM, source code that runs in simulation ports directly to hardware and has successfully flown in the National Airspace System (NAS) at NASA LaRC many times over the lifetime of ATTRACTOR.

Benjamin N Kelley↗

DOE OSTI2020

Flexible Reinforcement Learning Framework for Building Control using EnergyPlus-Modelica Energy Models

In recent years, reinforcement learning (RL) methods have been greatly enhanced by leveraging deep learning approaches. RL methods applied to building control have shown potential in many applications due to their ability to complement or replace conventional methods such as model-based or rule-based controls. However, RL-based building control software is likely tailored either to one target building system or to a specific RL method so that significant additional effort would be required to customize the RL-based controller for use in other building systems or with other RL approaches. Also, RL-based building controls usually depend on building energy simulations to train controllers, so emulating building dynamics (i.e., thermal dynamics and control dynamics) and capturing sub-hourly dynamic profiles are crucial to further the development of effective RL-based building control methods. To address these challenges, we present an open source RL-based control software employing a high-fidelity hybrid EnergyPlus-Modelica building energy model which emulates building dynamics at 1-minute resolution. This software consists of decoupled components (environment, building emulator, control agent, and RL algorithm), which allows for quick prototyping and benchmarking of standard RL algorithms in different systems; for example, a single component can be replaced without revising all of the software. To demonstrate this software framework, we conducted a benchmark study using an EnergyPlus-Modelica building energy model for a Chicago office building with an RL-based controller to dynamically control the chilled water temperature setpoint and the air handling unit supply air temperature setpoint on selected floors.

Lee, Joon-Yong↗

DOE OSTI2025

HEPTAPOD: Orchestrating High Energy Physics Workflows Towards Autonomous Agency

Many workflows in high-energy-physics (HEP) stand to benefit from recent advances in transformer-based large language models (LLMs). While early applications of LLMs focused on text generation and code completion, modern LLMs now support orchestrated agency: the coordinated execution of complex, multi-step tasks through tool use, structured context, and iterative reasoning. We introduce the HEP Toolkit for Agentic Planning, Orchestration, and Deployment (HEPTAPOD), an orchestration framework designed to bring this emerging paradigm to HEP pipelines. The framework enables LLMs to interface with domain-specific tools, construct and manage simulation workflows, and assist in common utility and data analysis tasks through schema-validated operations and run-card-driven configuration. To demonstrate these capabilities, we consider a representative Beyond the Standard Model (BSM) Monte Carlo validation pipeline that spans model generation, event simulation, and downstream analysis within a unified, reproducible workflow. HEPTAPOD provides a structured and auditable layer between human researchers, LLMs, and computational infrastructure, establishing a foundation for transparent, human-in-the-loop systems.

Menzo, Tony [Alabama U.; Fermilab] (ORCID:00000002↗

NASA NTRS2017

Flight Deck Surface Trajectory-Based Operations (STBO): A Four-Dimensional Trajectory (4DT) Simulation

Within human factors there is burgeoning interest in the Human-Autonomy Teaming (HAT) concept as away to address the challenges of interacting with complex, increasingly autonomous systems. The HAT concept comes out of an aspiration to interact with increasingly autonomous automation as a team member, rather than simply use automation as a tool. The authors, and others, have proposed core tenets for HAT that include bi-directional communication, automation and system transparency, and advanced coordination between human and automated teammates via predefined, dynamic task sequences known as plays (Shively et al., 2017). It is believed that, with proper implementation, HAT should foster appropriate teamwork, thus increasing trust and reliance on the system, which in turn will reduce workload, increase situation awareness, and improve performance. To this end, HAT has been demonstrated and/or studied in multiple applications including search and rescue operations (Nourbakhsh et al., 2005), healthcare and medicine (Tsui Yanco, 2007), autonomous vehicles (Parasuraman, Barnes, Cosenzo, Mulgund, 2007), photography (Lachter, Brandt, Sadler, Shively, in press), and aviation (Shively et al., in press). The current paper presents one such effort to apply HAT. It details the design of a R-HAT Agent developed as part of a NASA Research Agreement awarded to Human-Autonomy Teaming Solutions Inc. (HATS Inc), and developed in collaboration with the Human-Autonomy Teaming Laboratory at NASA Ames Research Center. The role of this Agent is to mediate interaction between the automation and the human operator of an advanced ground dispatch station, with this mediation based upon previously mentioned core tenets for HAT and the many lessons learned from the HAT research literature. This dispatch station was developed to support a NASA project investigating a concept called Reduced Crew Operations (RCO; Lachter, Brandt, Battiste, Matessa, Johnson, in press). Part of the RCO concept involves a ground operator providing enhanced support to a large number of aircraft with a single pilot on the flight deck. When assisted by the Agent, operators can monitor and support or manage a large number of aircraft and use plays to respond in real-time to complicated, workload-intensive events (e.g., an airport closure). A play is a plan that encapsulates goals, tasks, and a task allocation strategy appropriate for a particular situation. In the current implementation, when a play is initiated by a user, the Agent determines what tasks need to be done and has the ability to autonomously execute them (e.g., determining diversion options and uplinking new routes to aircraft) when it is safe and appropriate. The R-HAT Agent has been designed to both support end users and research in RCO and HAT. Additionally, the Agent and its underlying architecture were developed with generalizability in mind as a modular piece of software applicable outside of RCO aviation in domains such as those mentioned above. This paper will also discuss future further development and testing of the R-HAT Agent.

Bakowski, Deborah L.↗

NASA NTRS2012

Modern Warfare: An M and S Examination of the Dynamic Impact of Warlords and Insurgents on State Stability

9/11 changed the world as we knew it. Part of this change was to redirect the military of the United States away from focusing primarily on conventional conflict to a primary focus on unconventional or irregular conflict. This change required a tremendous learning effort by the military and their supporting research and development community. This learning effort included relearning of old but largely forgotten lessons as well as acquiring newly discovered knowledge. During the process of our immediate 9/11 response, we identified that we were engaged in Iraq and Afghanistan in an insurgency. Subsequently, our focus converged upon the description of insurgencies and the requirements for counterinsurgency. This paper argues that emerging conditions now allow the re-evaluation of the type of conflict occurring today and into the foreseeable future: that we, including the modeling and simulation world, emerge from a singular focus on orthodox insurgencies and start to consider the consequences and opportunities of the complexity of current conflicts. As an example of complexity, this paper will use the relatively common phenomenon of the Warlord or Warlordism. The paper will provide a definition of this phenomenon and then describe the implications for modelers. The paper will conclude by demonstrating the impact of incorporating this one rather prosaic complexity into an insurgency model, using agent based modeling (ABM).

Jones, Phillip N.↗

DOE OSTI2022

Agent-Based Modeling for the Circular Economy: Lessons Learned From Three Case Studies

The circular economy (CE) aims at decoupling human activities from resource use, creating wealth in the process. Recently, many scholars have questioned the link between increased circularity and sustainability, resulting in many methodological approaches being developed for that purpose. This presentation summarizes the insights gained from the application of agent-based modeling (ABM) to study the techno-economic and social conditions promoting circularity and sustainability of three technologies: photovoltaic (PV) modules, hard disk drives (HDDs), and wind blades. Four main categories of agents are defined in the ABM: asset owners, service providers (e.g., refurbishers), recyclers, and manufacturers. Two main CE strategies are represented: lifetime extension (through repair or reuse) and recycling. The developed models start by projecting installed capacities and end-of-life (EOL) quantities. Then the theory of planned behavior - a social psychology model explaining behavior adoption based on attitude, peer influence, and costs - is used to model the asset owners' EOL decision (i.e., landfill, recycle or extend the lifetime of the asset). Then, the quantities of assets flowing to the recycler and service provider agents and quantities of materials flowing to manufacturers are computed. Recyclers' economies of scale are dynamically modeled, and the value generated by the CE strategies for the recyclers, service providers, and manufacturers is computed within the model. When data are available, avoided greenhouse gas emissions resulting from the CE strategies adoption are calculated exogenously from the ABM simulations. Results show that with improved used PV modules warranties, the reuse CE strategy adoption increases from 1% to 23% between 2020 and 2050. Similarly, improved standards could enhance HDDs end-users trust in data-wiping - a prerequisite to reuse - leading to a 3-fold increase in the reuse rate and avoid about 5 million tons of CO2 eq by 2050. Regarding wind blades, 5-15 years lifetime extension could reduce EOL blade quantities by 13%. High costs and logistic issues prevent blades from being recycled in greater quantities. One insight from the case studies is the necessity to have mature secondary markets for reuse to be a viable option. Interestingly, PV reuse is limited by the willingness of PV owners to purchase used modules (on the demand side), while HDDs reuse is constrained by the lack of trust toward data-wiping (limiting the supply of used HDDs). The six limits of the CE concepts presented by Korhonen et al. (2018) are finally used to interpret the results. The HDD case study is an exemplary lock-in, where the first accepted practice (shredding) retains most of the market. The PV results illustrate the technical limitation to reuse, as the growing demand cannot be supplied entirely with used PV modules. The wind case study shows the relevance of clearly defining physical flows - what type of waste should wind blades be considered, how should they be transported and landfilled? - a crucial consideration that also applies to PV modules. Finally, the three case studies highlight the relevance of studying a technology's technical, economic, and market material efficiency potentials altogether and the potential benefit of coupling ABM to life cycle assessment.

agent-based modeling↗