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A MOF production system and method of making are detailed for continuous and controlled synthesis of MOFs and MOF composites. The system can provide optimized yields of MOFs and MOF composites greater than or equal to 95%.
This study seeks to identify existing frameworks or develop requirements and recommendations for a new framework that can consistently characterize physical attacks, analogous to MITRE ATT&CK®. MITRE ATT&CK is widely used across government, research organizations, and the cyber security community to characterize cyber attack tactics, techniques, and procedures (TTPs) in a consistent and commonly understood manner. While physical attack taxonomies, methodologies, and other tools for evaluating physical security do exist, many are sector and/or facility-type specific—and therefore not able to provide comparable scenarios across sectors—or are more focused on security assessment instead of the characterization of attacks themselves. A MITRE ATT&CK analog for physical attacks on critical infrastructure would provide a common language and structure for analysis of physical attacks. Existing attack characterization methodologies do not robustly address cyber-physical security risks. To fully understand a facility’s security needs, it is important to understand the entire vulnerability landscape from both a physical and a cyber perspective. To underscore this need, organizations such as the Cybersecurity and Infrastructure Security Agency (CISA) are calling for a coordinated approach to cyber and physical security, which they refer to as cyber and physical security convergence. A physical attack characterization framework that could be used jointly with MITRE ATT&CK would help support a more robust analysis in support of convergence, enabling the consistent characterization of attacks that utilize both cyber and physical tactics and techniques. This could provide analysts and stakeholders with a clearer understanding of how security mitigations deployed in the physical realm impact security risks in the cyber realm, and vice versa. In this study, the project team evaluates existing physical security taxonomies and methodologies to assess whether an existing method can be used to create a “physical half” of MITRE ATT&CK. This study then provides requirements and recommendations for a framework that can leverage aspects of existing methodologies. The goal of the final framework is for it to be widely adopted and referenced, regardless of critical infrastructure sector, facility type, or facility components. This study also identifies applicable use cases for when and how a framework could be applied across the various critical infrastructure sectors for a variety of attack types or motivations. Through a literature review of existing security-focused methodologies and taxonomies, engagement with relative stakeholders, evaluation of potential physical attack framework use cases, and subsequent identification of requirements, this study identified the following key findings and recommendations: There is a need for a new physical attack characterization framework; A physical attack framework should be interoperable with the MITRE ATT&CK framework; A physical attack framework should be broadly applicable, but with detailed tactics, techniques, and procedures that encompass the entire attack path; A physical attack framework should be based on observed or feasible events; A physical attack framework should adapt features from existing methodologies, frameworks, and taxonomies; A physical attack framework should be owned, overseen, and maintained by one organization.
Today there are many different experimental event processing frameworks in use by running or about to be running experiments. This talk will discuss the different components of these frameworks. In the past there have been attempts at shared framework projects for example the collaborations on the BaBar framework (between BaBar, CDF, and CLEO), on the Gaudi framework (between LHCb and ATLAS), on AliROOT/FairROOT (between Alice and GSI/Fair), and in some ways on art (Fermilab based experiments) and CMS’ framework. However, for reasons that will be discussed, these collaborations did not result in common frameworks shared among the intended experiments. Though importantly, two of the resulting projects have succeeded in providing frameworks that are shared among many customer experiments: Fermilab's art framework and GSI/Fair's FairROOT. Interestingly, several projects are considering remerging their frameworks after many years apart. I'll report on an investigation and analysis of these realities. In addition, with the advent of the need for multi-threaded frameworks and the scarce available manpower, it is important to collaborate in the future, however it is also important to understand why previous attempts at multi-experiment frameworks either worked or didn't work.
Porous frameworks form the chemical and structural basis for critical technologies in separations, catalysis, nuclear waste containment and biomedical applications. Hundreds of zeolites and metal organic frameworks (MOFs) have been synthesized, and their ability to separate and store hydrogen, methane and carbon dioxide has been investigated both experimentally and theoretically. Nevertheless, a fundamental and systematic molecular-level understanding of the thermodynamic and structural factors governing the stability and guest-host interactions in these materials lags behind focused studies of specific systems. Because the guest molecules interact with each other and with the host framework, molecular confinement is a finely balanced and complex phenomenon. The ability of the guest molecules to bind and diffuse through the pores is determined by the nature of the host framework which, in turn, responds to the nature and concentration of guest molecules and to pressure and temperature. The work explores how framework flexibility, tailored by structure, composition, temperature and pressure, is a general phenomenon, similar in nature but variable in extent, in both zeolites and MOFs and is part of a free energy landscape in which framework-guest interactions, pressure, and temperature result in changes in framework geometry and, in some cases, phase transitions. These subtle and/or pronounced changes in lattice geometry, energetics, and dynamics can play a decisive role in confinement and in differentiating the binding of molecules of similar size. The free energy landscape created by these structural changes links polymorphism, amorphization, “breathing,” “gate opening” and confinement. Specifically, the generality of such behavior arises from commonalities in lattice dynamics and energetics of frameworks containing a combination of strong rigid bonds and weaker more flexible deformation modes. Identifying and describing these common and collective phenomena is the focus of the research on a selected group of zeolites and MOFs. Structural studies using X-ray and neutron diffraction explore the mechanical functionality of these important materials, specifically how framework materials respond to changes in temperature, pressure and guest loading. These structural studies are combined with calorimetric measurements, using techniques uniquely developed in the participating laboratories, of heats of formation, heat capacities and entropies, and guest-host interactions. The experimental thermodynamic studies are complemented by inelastic neutron scattering studies of the lattice dynamics related both to framework vibrations and to guest-host interactions. This research was a collaboration between UC Davis (A. Navrotsky) BYU (B. Woodfield) and Virginia Tech (N. Ross).
Three copper(II) imidazolate frameworks were synthesized by a hydrothermal (or precipitation) reaction. The catalysts were characterized by X-ray diffraction (XRD), nitrogen adsorption, transmission electron microscopy (TEM), ultraviolet–visible spectroscopy (UV–vis), Fourier transform infrared spectra (FTIR), thermogravimetry (TG). Meanwhile, the photocatalytic activities of the samples for reduction of CO{sub 2} into methanol and degradation of methylene blue (MB) under visible light irradiation were also investigated. The results show that the as-prepared samples exhibit better photocatalytic activities for the reduction of carbon dioxide into methanol with water and degradation of MB under visible light irradiation. The orthorhombic copper(II) imidazolate frameworks with a band gap of 2.49 eV and green (G) color has the best photocatalytic activity for reduction of CO{sub 2} into methanol, 1712.7 μmol/g over 5 h, which is about three times as large as that of monoclinic copper(II) imidazolate frameworks with a band gap 2.70 eV and blue (J) color. The degradation kinetics of MB over three photocatalysts fitted well to the apparent first-order rate equation and the apparent rate constants for the degradation of MB over G, J and P (with pink color) are 0.0038, 0.0013 and 0.0016 min{sup −1}, respectively. The synergistic effects of smallest band gap and orthorhombic crystal phase structure are the critical factors for the better photocatalytic activities of G. Moreover, three frameworks can also be stable up to 250 °C. The investigation of Cu-based zeolitic imidazolate frameworks maybe provide a design strategy for a new class of photocatalysts applied in degradation of contaminations, reduction of CO{sub 2}, and even water splitting into hydrogen and oxygen under visible light. - Graphical abstract: Carbon dioxide was reduced into methanol with water over copper(II) imidazolate frameworks under visible light irradiation. - Highlights: • Three copper(II) imidazolate frameworks were first applied in the photo-reduction of CO{sub 2}. • The photocatalytic activities of the frameworks depend on their band gap and phase structures. • The photocatalytic activity of orthorhombic frameworks is 3 times that of monoclinic frameworks. • The degradation kinetics of MB over three photocatalysts followed the first-order rate equation. • The largest yield for reduction of CO{sub 2} into methanol on green framworks was 1712.7 μmol/g over 5 h.
Porous frameworks form the chemical and structural basis for critical technologies in separations, catalysis, nuclear waste containment and biomedical applications. Hundreds of zeolites and metal organic frameworks (MOFs) have been synthesized, and their ability to separate and store hydrogen, methane and carbon dioxide has been investigated both experimentally and theoretically. Nevertheless, a fundamental and systematic molecular-level understanding of the thermodynamic and structural factors governing the stability and guest-host interactions in these materials lags behind focused studies of specific systems. Because the guest molecules interact with each other and with the host framework, molecular confinement is a finely balanced and complex phenomenon. The ability of the guest molecules to bind and diffuse through the pores is determined by the nature of the host framework which, in turn, responds to the nature and concentration of guest molecules and to pressure and temperature. The work explores how framework flexibility, tailored by structure, composition, temperature and pressure, is a general phenomenon, similar in nature but variable in extent, in both zeolites and MOFs and is part of a free energy landscape in which framework-guest interactions, pressure, and temperature result in changes in framework geometry and, in some cases, phase transitions. These subtle and/or pronounced changes in lattice geometry, energetics, and dynamics can play a decisive role in confinement and in differentiating the binding of molecules of similar size. The free energy landscape created by these structural changes links polymorphism, amorphization, “breathing,” “gate opening” and confinement. Specifically, the generality of such behavior arises from commonalities in lattice dynamics and energetics of frameworks containing a combination of strong rigid bonds and weaker more flexible deformation modes. Identifying and describing these common and collective phenomena is the focus of the research on a selected group of zeolites and MOFs. Structural studies using X-ray and neutron diffraction explore the mechanical functionality of these important materials, specifically how framework materials respond to changes in temperature, pressure and guest loading. These structural studies are combined with calorimetric measurements, using techniques uniquely developed in the participating laboratories, of heats of formation, heat capacities and entropies, and guest-host interactions. The experimental thermodynamic studies are complemented by inelastic neutron scattering studies of the lattice dynamics related both to framework vibrations and to guest-host interactions. The report below summarizes the work done at UC Davis, which is complemented by work done at BYU (Woodfield) and Virginia Tech (Ross).
The Virtual Mission Operation Framework (VMOF) is one of the project lifecycle engineering process improvement efforts initiated by the institutional technology infrastructure program at JPL. The VMOF is composed of three frameworks: a model integration framework, a simulation framework, and a visualization framework. The model integration framework interfaces with spacecraft system design, mission design, and structure design. The simulation framework interfaces with the operation scenario design, environmental phenomena science, and science payload system design. The visualization framework interfaces with the flight system testbed, the ground system, and the science analysis. The three frameworks of the VMOF collaborate to create a comprehensive virtual mission operation that enables a "validation-in-the-loop" system design process and lifecycle-continuous science-return validation.This paper discusses the technical approaches for each framework implementation, challenges and approaches involved in streamlining mission information access, and on-going activities toward enabling Model-Based Engineering Design in a collaborative distributed environment.
The push-pull framework was developed in hopes that an infrastructure would be created that could literally connect to any given remote site, and (given a set of restrictions) download files from that remote site based on those restrictions. The Cataloging and Archiving Service (CAS) has recently been re-architected and re-factored in its canonical services, including file management, workflow management, and resource management. Additionally, a generic CAS Crawling Framework was built based on motivation from Apache s open-source search engine project called Nutch. Nutch is an Apache effort to provide search engine services (akin to Google), including crawling, parsing, content analysis, and indexing. It has produced several stable software releases, and is currently used in production services at companies such as Yahoo, and at NASA's Planetary Data System. The CAS Crawling Framework supports many of the Nutch Crawler's generic services, including metadata extraction, crawling, and ingestion. However, one service that was not ported over from Nutch is a generic protocol layer service that allows the Nutch crawler to obtain content using protocol plug-ins that download content using implementations of remote protocols, such as HTTP, FTP, WinNT file system, HTTPS, etc. Such a generic protocol layer would greatly aid in the CAS Crawling Framework, as the layer would allow the framework to generically obtain content (i.e., data products) from remote sites using protocols such as FTP and others. Augmented with this capability, the Orbiting Carbon Observatory (OCO) and NPP (NPOESS Preparatory Project) Sounder PEATE (Product Evaluation and Analysis Tools Elements) would be provided with an infrastructure to support generic FTP-based pull access to remote data products, obviating the need for any specialized software outside of the context of their existing process control systems. This extensible configurable framework was created in Java, and allows the use of different underlying communication middleware (at present, both XMLRPC, and RMI). In addition, the framework is entirely suitable in a multi-mission environment and is supporting both NPP Sounder PEATE and the OCO Mission. Both systems involve tasks such as high-throughput job processing, terabyte-scale data management, and science computing facilities. NPP Sounder PEATE is already using the push-pull framework to accept hundreds of gigabytes of IASI (infrared atmospheric sounding interferometer) data, and is in preparation to accept CRIMS (Cross-track Infrared Microwave Sounding Suite) data. OCO will leverage the framework to download MODIS, CloudSat, and other ancillary data products for use in the high-performance Level 2 Science Algorithm. The National Cancer Institute is also evaluating the framework for use in sharing and disseminating cancer research data through its Early Detection Research Network (EDRN).
Molecular dynamics simulations were used to investigate trends in noble gas (Ar, Kr, Xe) diffusion in the metal-organic frameworks HKUST-1 and ZIF-8. Diffusion occurs primarily through inter-cage jump events, with much greater diffusion of guest atoms in HKUST-1 compared to ZIF-8 due to the larger cage and window sizes in the former. We compare diffusion coefficients calculated for both rigid and flexible frameworks. For rigid framework simulations, in which the framework atoms were held at their crystallographic or geometry optimized coordinates, sometimes dramatic differences in guest diffusion were seen depending on the initial framework structure or the choice of framework force field parameters. When framework flexibility effects were included, argon and krypton diffusion increased significantly compared to rigid-framework simulations using general force field parameters. Additionally, for argon and krypton in ZIF-8, guest diffusion increased with loading, demonstrating that guest-guest interactions between cages enhance inter-cage diffusion. No inter-cage jump events were seen for xenon atoms in ZIF-8 regardless of force field or initial structure, and the loading dependence of xenon diffusion in HKUST-1 is different for rigid and flexible frameworks. Diffusion of krypton and xenon in HKUST-1 depends on two competing effects: the steric effect that decreases diffusion as loading increases, and the “small cage effect” that increases diffusion as loading increases. Finally, a detailed analysis of the window size in ZIF-8 reveals that the window increases beyond its normal size to permit passage of a (nominally) larger krypton atom.
Step-shaped adsorption-desorption of gaseous payloads by flexible metal-organic frameworks can facilitate the delivery of large usable capacities with significantly reduced energetic penalties. This is desirable for the storage, transport, and delivery of H 2 , as prototypical adsorbents require large swings in pressure and temperature to achieve usable capacities approaching their total capacities. However, the weak physisorption of H 2 typically necessitates undesirably high pressures to induce the framework phase change. As de novo design of flexible frameworks is exceedingly challenging, the ability to intuitively adapt known frameworks is required. We demonstrate that the multivariate linker approach is a powerful tool for tuning the phase change behavior of flexible frameworks. In this work, 2-methyl-5,6-difluorobenzimidazolate was solvothermally incorporated into the known framework CdIF-13 (sod-Cd(benzimidazolate) 2 ), resulting in the multivariate framework sod-Cd(benzimidazolate) 1.87 (2-methyl-5,6-difluorobenzimidazolate) 0.13 (ratio = 14:1), which exhibited a considerably reduced stepped adsorption threshold pressure while maintaining the desirable adsorption-desorption profile and capacity of CdIF-13. At 77 K, the multivariate framework exhibits stepped H 2 adsorption with saturation below 50 bar and minimal desorption hysteresis at 5 bar. At 87 K, saturation of step-shaped adsorption occurs by 90 bar, with hysteresis closing at 30 bar. These adsorption-desorption profiles enable usable capacities in a mild pressure swing process above 1 mass %, representing 85-92% of the total capacities. Here this work demonstrates that the desirable performance of flexible frameworks can be readily adapted through the multivariate approach to enable efficient storage and delivery of weakly physisorbing species.
Anthropogenic climate change threatens environmental and human health globally. Limiting these threats requires large-scale and innovative greenhouse gas mitigation responses across carbon-intensive energy and industrial sectors. Carbon capture and storage (CCS) technologies present potential opportunities for mitigating climate change while maintaining a diverse energy resource portfolio. Successful development of CCS physical sites requires effective and efficient project management solutions that elicit and incorporate the concerns and perspectives of diverse stakeholders. Due to the urgency of climate change mitigation technology implementation and the costs of CCS development, CCS project developers cannot risk setbacks by poor stakeholder assessment that concern management processes. Thus, this report presents four prominent policy frameworks and associated case studies as opportunities to improve CCS social site characterization and stakeholder engagement. After comparing the relative effectiveness and efficiencies of each framework with regard to CCS, this report concludes that the Advocacy Coalition Framework, Narrative Policy Framework, and Policy Conflict Framework can improve the CCS social site characterization process, while the Collaborative Governance Framework paired with the Q-Methodology provides an ideal framework for direct stakeholder engagement. Overall, this report finds that the Narrative Policy Framework and the Collaborative Governance Framework are most ideally suited for the purposes of CCS social site characterization and stakeholder engagement.
The titled compound was prepared by the precipitation method from diluted aqueous solution of sodium nitroprusside and mercury(II) nitrate. The orange solid formed, with formula unit Hg[Fe(CN){sub 5}NO], crystallizes with an orthorhombic unit cell in the Pmna space group with cell parameters: a=11.2788(3), b=6.1965(3), and c=12.3786(6) Å. The unit cell accommodates four formula of the compound (Z=4). Its crystal structure was solved from X-ray powder patterns and then refined by the Rietveld method. The material framework is formed by tetrahedral coordination of Hg atoms at the N end of the equatorial CN groups of the [Fe(CN){sub 5}NO] building block. That framework results from the interpenetration of two identical sub-frameworks with a relative shift of (a/2, b/2, c/2). The sub-framework has two types of cavities, ellipsoidal and rhombohedral, with transversal section of ca. 4.5×9.2 Å and ca. 8.5 Å transversal section, respectively. That system of cavities results eclipsed by the relative shift of neighboring sub-frameworks. No transport of H{sub 2} and N{sub 2} molecules through the material framework was observed. The thermal decomposition also reveals limitation for the decomposition products diffusion through the practically compact structure. The structural study was complemented with TG, IR, UV–vis and N{sub 2} and H{sub 2} adsorption data. Neighboring Hg atoms are distant 4.54(3) Å, a relatively large distance to suppose the existence of metal–metal interaction. No previous study on the crystal structure and related properties of mercury(II) nitroprusside has been reported. - Graphical abstract: Mercury(II) nitroprusside framework formed by two identical interpenetrated porous subframeworks where neighboring cavities appear eclipsed. - Highlights: • Interpenetrated frameworks in metal nitroprusside. • Eclipsed porous framework in metal nitroprusside. • Structure and related properties for mercury(II) nitroprusside. • Spectral features for mercury(II) nitroprusside.
Land resources are central to understanding the relationship between humans and their environment. We broadly define a land resource to include all the ecological resources of climate, water, soil, landforms, flora, and fauna, and all the socioeconomic systems that interact with agriculture, forestry, and other land uses within some system boundary. Understanding the vulnerability of land resources to changes in land management or climate forcing is critical to developing sustainable land management strategies. Vulnerability assessments are complex given the multiple uses of the assessments, the multi-disciplinary nature of the problem, limited understanding, the dynamic structure of vulnerability, scale issues, and problems with identifying effective vulnerability indicators. Here, we propose a novel conceptual framework for vulnerability assessments of land resources that combines the driver– pressure–state–impact–response (DPSIR) framework adopted by the European Environment Agency to describe interactions between society and the environment, and the exposure-sensitivity-adaptive capacity (ESA) framework used by the Intergovernmental Panel on Climate Change to assess impacts of climate change. The DPSIR-ESA Vulnerability Assessment (DEVA) framework operationalizes the process of assessing the vulnerability of a target system to external stressors. The DEVA framework includes the following elements: 1) Definition of the target system (Land resource), 2) Description of internal characteristics of the target system (State), 3) Description of target system vulnerability indicators (Adaptive capacity, Sensitivity), 4) Description of stressor characteristics (Drivers, Pressures), 5) Description of stressor vulnerability indicators (Exposure), 6) Description of target system response to stressors (Impacts), and 7) Description of modifications to target systems or stressors (Responses). In stating that they have “applied the DEVA framework”, analysts acknowledge that they have (a) considered the full breadth of each DEVA element, (b) have made conscious decisions to limit the scope and complexity of certain elements, and (c) can communicate both the rationale for these decisions and the impact of these decisions on the vulnerability assessment results and recommendations. The DEVA framework was refined during invited presentations and follow-up discussions from a series of Special Sessions with leading experts at two successive ASABE Annual International Meetings. Six case studies drawn from the sessions elaborate upon the DEVA framework and provide concrete examples of the key concepts. The DEVA approach gives engineers, planners, and analysts a new, flexible framework to apply a broad array of useful tools toward assessment of land resource system vulnerability.
The design and characterization of new materials for hydrogen storage is an important area of research, as the ability to store hydrogen at lower pressures and higher temperatures than currently feasible would lower operating costs for small hydrogen fuel cell vehicles. In particular, metal-organic frameworks (MOFs) represent promising materials for use in storing hydrogen in this capacity. MOFs are highly porous, three-dimensional crystalline solids that are formed via linkages between metal ions (e.g., iron, nickel, and zinc) and organic molecules. MOFs can store hydrogen via strong adsorptive interactions between the gas molecules and the pores of the framework, providing a high surface area for gas adsorption and thus the opportunity to store hydrogen at significantly lower pressures than with current technologies. By lowering the energy required for hydrogen storage, these materials hold promise in rendering hydrogen a more viable fuel for motor vehicles, which is a highly desirable outcome given the clean nature of hydrogen fuel cells (water is the only byproduct of combustion) and the current state of global climate change resulting from the combustion of fossil fuels. The work presented in this report is the result of collaborative efforts between researchers at Lawrence Berkeley National Lab (LBNL), the National Institute of Standards and Technology (NIST), and General Motors Corporation (GM) to discover novel MOFs promising for H 2 storage and characterize their properties. Described herein are several new framework systems with improved gravimetric and volumetric capacity to strongly bind H 2 at temperatures relevant for vehicle storage. These materials were rigorously characterized using neutron diffraction, to determine the precise binding locations of hydrogen within the frameworks, and high-pressure H 2 adsorption measurements, to provide a comprehensive picture of H 2 adsorption at all relevant pressures. A rigorous understanding of experimental findings was further achieved via first-principles electronic structure calculations, which also supported synthetic efforts through predictions of additional novel frameworks with promising properties for vehicular H 2 storage. The results of the computational efforts also helped to elucidate the fundamental principles governing the interaction of H 2 with the frameworks, and in particular with exposed metal sites in the pores of these materials. Significant accomplishments from this project include the discovery of a metal-organic framework with a high H 2 binding enthalpy and volumetric capacity at 25 °C and 100 bar, which surpasses the metrics of any other known metal-organic framework. Additionally this material was designed to be extremely cost effective compared to most comparable adsorbents, which is imperative for eventual real-world applications. Progress toward synthesizing new frameworks containing multiple open coordination sites is also discussed, and appears to be the most promising future direction for hydrogen storage in these porous materials.
Abstract. Part 1 (Wan et al., 2024) of this study discusses the motivation and empirical evaluation of a revision to the aerosol-related numerical process coupling in the atmosphere component of the Energy Exascale Earth System Model version 1 (EAMv1) to address the previously reported issue of strong sensitivity of the simulated dust aerosol lifetime and dry removal rate to the model's vertical resolution. This paper complements that empirical justification of the revised scheme with a mathematical justification leveraging a semi-discrete analysis framework for assessing the splitting error of process coupling methods. The framework distinguishes the error due to numerical splitting from the error due to the time integration method(s) used for each individual process. Such a distinction results in a framework that provides an intuitive understanding of the causes of the splitting error. The application of this framework to the dust life cycle in EAMv1 confirms (i) that the original EAMv1 scheme artificially strengthens the effect of dry removal processes and (ii) that the revised splitting reduces that artificial strengthening. While the error analysis framework is presented in the context of the dust life cycle in EAMv1, the framework can be broadly leveraged to evaluate process coupling schemes, both in other physical problems and for any number of processes. This framework will be particularly powerful when the various process implementations support a variety of time integration approaches. Whereas traditional local truncation error approaches require separate consideration of each combination of time integration methods, this framework enables evaluation of coupling schemes independent of particular time integration approaches for each process while still allowing for the incorporation of these specific time integration errors if so desired. The framework also explains how the splitting error terms result from (i) the integration of individual processes in isolation from other processes and (ii) the choices of input state and time step size for the isolated integration of processes. Such a perspective has the potential for the rapid development of alternative coupling approaches that utilize knowledge both about the desired accuracy and about the computational costs of individual processes.
Recent developments in forward radiative transfer modeling and physical land surface modeling are converging to allow the assembly of an integrated snow/cold lands modeling framework for land surface modeling and data assimilation applications. The key elements of this framework include: a forward radiative transfer model (FRTM) for snow, a snowpack physical model, a land surface water/energy cycle model, and a data assimilation scheme. Together these form a flexible framework for self-consistent remote sensing and water/energy cycle studies. In this paper we will describe the elements and the integration plan. Each element of this framework is modular so the choice of element can be tailored to match the emphasis of a particular study. For example, within our framework, four choices of a FRTM are available to simulate the brightness temperature of snow: Two models are available to model the physical evolution of the snowpack and underlying soil, and two models are available to handle the water/energy balance at the land surface. Since the framework is modular, other models-physical or statistical--can be accommodated, too. All modules will operate within the framework of the Land Information System (LIS), a land surface modeling framework with data assimilation capabilities running on a parallel-node computing cluster at the NASA Goddard Space Flight Center. The advantages of such an integrated modular framework built on the LIS will be described through examples-e.g., studies to analyze snow field experiment observations, and simulations of future satellite missions for snow and cold land processes.
This work presents a framework for evaluating models and algorithms for Distributed Electric Propulsion (DEP) on the SUSAN Electrofan Aircraft. Throughout the development of the SUSAN aircraft, the performance of various configurations of the aircraft will need to be analyzed. However, the static behavior alone is not sufficient to describe the performance of these configurations. Therefore, simulation with fully integrated subsystem models is required. The proposed framework considers the vehicle aerodynamic, propulsion, and control subsystems. The presented framework automatically generates control laws for any vehicle configuration in response to changes in these subsystems. To compare these different vehicle configurations, various time and frequency domain performance metrics are compared. Three different system modifications are used as cases to evaluate this framework. The first modification integrates the propulsion control system with the flight controller to enable differential thrust without stalling the main engine. This evaluation case is used to validate the framework for aircraft configurations with coupled subsystems. The second modification compares the effect of the vertical tail size on open and closed loop performance. This evaluation case is used to validate the framework for controlling different configurations and tuning towards comparable closed loop performance despite changes to the aircraft's aerodynamic model. The third modification implements two different control allocation schemes. This evaluation case demonstrates the framework's ability to evaluate allocation modifications needed to take advantage of DEP. The first evaluation case is used to show that controller integration enables differential thrust, improving realized wingfan bandwidth by up to 40\% in simulation. The second evaluation case demonstrates that the framework can stabilize the reduced tail size aircraft with closed loop control. The third evaluation case demonstrates that a pseudoinverse control allocation scheme improves lateral velocity settling time by approximately 17~seconds over a symmetric-thrust allocation. These cases show that the framework is useful for evaluating the performance of integrated system designs, enabling analyses of new models and algorithms for the SUSAN distributed electric propulsion vehicle.
Runtime Assurance (RTA) is a design-time architecture for safety-critical systems where an internal monitor acts upon detecting a violation of a property. The simplex architecture is an instance of RTA, where the action taken is to hand control of the overall system to a trusted controller when an untrusted one violates a safety property. Simplex RTA is emerging as a method for allowing AI/ML and other unverified software to be integrated into safety-critical applications like aircraft. To this end, the American Society for Testing and Materials (ASTM) and NASA have each published guidelines on the use of RTA in such systems. In the simplex RTA framework, a system has an advanced controller (AC) and a reversionary controller (RC). The system is allowed to operate with the AC until a runtime monitor detects that some property has been violated and then the RC takes over. Assuming that the sample rate of the monitor will detect improper functioning with enough time for the RC to correct the impending problem, and that the RC is trusted, the system will operate as intended. This use of the simplex RTA framework can allow for the integration of untrusted, but possibly more performant, controllers in a safe way. This paper presents a formalization of a simplex RTA framework in the Prototype Verification System (PVS) theorem prover using an embedding of differential dynamic logic (DDL) called Plaidypvs. A novel feature of this framework is that it can be instantiated at different levels of abstraction. This feature allows for the formal verification of a system with an untrusted black box component, such as an AI/ML controller. This paper does not address the many difficulties in deploying RTA in an industrial-level system. Instead, the focus is on the formal verification of the simplex RTA framework in the language of hybrid programs. Hybrid programs are programs that include both discrete and continuous dynamics and can be used to model complex cyber-physical systems. Plaidypvs is a tool that enables formalization of hybrid programs in the PVS theorem prover. Plaidypvs enables the verification of the general simplex RTA framework and then, by specializing some components of the hybrid program, verifying instances of the framework while treating the untrusted component as a black box. A selection of Unmanned Aircraft Systems (UAS) operations are shown as instances of the general RTA framework in PVS. This offers the benefit of design time verification of relevant safety properties to the system, and it also gives requirements on the sample rate of sensors that determine the time interval in which the ‘switch’ property of the RTA framework is checked.