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Virtual Special Issue on Catalysis at the U.S. Department of Energy’s National Laboratories

Catalysis research at the U.S. Department of Energy's (DOE's) National Laboratories covers a wide range of research topics in heterogeneous catalysis, homogeneous/molecular catalysis, biocatalysis, electrocatalysis, and surface science. Since much of the work at National Laboratories is funded by DOE, the research is largely focused on addressing DOE's mission to ensure America's security and prosperity by addressing its energy, environmental, and nuclear challenges through transformative science and technology solutions. The catalysis research carried out at the DOE National Laboratories ranges from very fundamental catalysis science, funded by DOE's Office of Basic Energy Sciences (BES), to applied research and development (R&D) in areas such as biomass conversion to fuels and chemicals, fuel cells, and vehicle emission control with primary funding from DOE's Office of Energy Efficiency and Renewable Energy.

09 BIOMASS FUELS↗

Implementing Inertial Control for PMSG-WTG in Region 2 Using Virtual Synchronous Generator with Multiple Virtual Rotating Masses

With the increasing integration of renewable energy, the problems associated with a deteriorating grid frequency profile and potential power system instability have become more significant. In this paper, the inertial control algorithm using a virtual synchronous generator (VSG) is implemented on a Type 4 permanent magnet synchronous generator (PMSG) wind turbine generator (WTG). The overall nonlinear dynamic model and its small-signal linearization of the PMSG-WTG using a VSG is established and comprehensively analyzed. Inevitably, the direct application of the VSG introduces a large inertia, which causes conflict between the fast variance of available wind power and inverter control with slow dynamics, particularly in Region 2 of the wind turbine. Aiming to address such issues, a VSG with multiple virtual rotating masses is proposed to improve the active power tracking performance as well as to boost the inertial control of a VSG. The inertial responses are verified in a modified 10-MVA IEEE 14-bus microgrid system. The assessment of the simulation results demonstrates the applicability of the VSG on renewable energy generation units.

17 WIND ENERGY↗

An Open-Source Virtual Testbed for a Real Net-Zero Energy Community

Net zero energy communities (NZECs) are critical to ensure sustainability and resilience of modernized power systems. System modeling helps overcome technical challenges in designing and operating NZECs. In this paper, we present the modeling work based on a real NZEC. Two sets of models are developed: higher-fidelity physics-based models considering the interaction between subsystems of the studied NZEC and capturing fast-dynamics; and lower-fidelity data-driven models requiring less resource to establish and/or run. All models are validated against measurements from this real NZEC. In addition, we create a simulation framework which streamlines the processes for simulation and thus allows using developed models to form a virtual testbed. To demonstrate the usage of the virtual testbed, a case study is conducted where a building-to-grid integration control is evaluated via simulation. The evaluation results suggest that the tested control significantly smooths the power draw of the studied community and doesn’t sacrifice the thermal comfort to a great extent.

Huang, Sen↗

PV Inverter Fault Response Including Momentary Cessation, Frequency-Watt, and Virtual Inertia

This paper presents two photovoltaic (PV) inverter control methods and an analysis of the two under a significant three-phase transmission line fault contingencies in the Hawaiian island of Oahu power system. Simulations are presented for the two control methods on the island power system with a high penetration of PV generation, approximately 40% of the total. The two control methods discussed are similar: one is a proportional frequency-watt controller, and the second is a proportional-derivative controller, a frequency-watt controller with virtual inertia. Both methods can be beneficial for fast frequency support. The inverter model also emulates inverter fault response including 'momentary cessation' and recovery during low voltage events. The study presented in this paper utilizes a validated power system model of the Hawaiian island of Oahu, modified to include PV resources with the two custom developed control models. Dynamic simulations with PSS/E are presented during a significant transmission line three-phase fault contingency. Simulations are presented with and without PV reserve margin. In addition, a parameter sensitivity analysis is presented for the control methods. Results indicate both methods can significantly improve system response during fault events. Findings indicate that transmission faults can produce severe frequency events, and that fast recovery from momentary cessation is crucial to mitigate severity.

14 SOLAR ENERGY↗

Creating 3D Web-Based Game Environment Using BIM Models for Virtual On-Site Visiting of Building HVAC Systems

A web-based 3D game project was presented in this paper to demonstrate the process of using building information modeling (BIM) to create an interactive 3D on-line `Green' training environment. The system architecture, the implementation process and major components of this virtual training environment were discussed. Existing studies on BIM-based collaborations mainly focused on local-file-sharing approach using proprietary applications. Limited research focused on using BIM as an online gaming platform to create a web browser-based interactive 3D virtual environment for collaboration, learning and/or training. The gap was partially caused by the lack of understanding how to implement a BIM-based game in web browser environment. In this paper, the authors provided an implementation example using a hospital BIM model to create an interactive web-based 3D BIM game environment to allow users to visualize and interact with the BIM components using regular web browsers. The intention of this project is to create a proprietaryindependent training environment to conduct energy re-commissioning trainings for hospital facility management staff. This virtual BIM environment can potentially be customized for engineering student learning and project collaborations as well. The conclusion was that current BIM and game technology are mature enough to allow us to create serious web-based interactive learning/training virtual environment. The successful integration of BIM and web browsers paved the way for many learning and training applications, which need built-environment as context.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Enabling High Availability Service with oVirt Virtualization and CephFS

The online computing environment at STAR has generated demand for high availability of services (HAS) and a resilient uptime guarantee. Such services include databases, webservers, and storage systems that user and sub-systems tend to rely on for their critical workflows. Standard deployment of services on bare metal creates a problem if the fundamental hardware fails or loses connectivity. Additionally, the configuration of redundant failover nodes (a secondary Web service for example) requires constant syncing of configuration and content and sometimes manual interaction for switching hardware (DNS name comes to mind). For this project, we will focus on two tools: oVirt and Ceph. oVirt is an OpenSource virtualization management application that enables central management of hardware nodes, storage, and network resources used to deploy and monitor virtual machines. oVirt supports the deployment of a virtual environment for your data center leveraging automatic provisioning, live migration, and the ability to easily scale the number of hypervisors. oVirt enables the use of multiple storage technologies where you can store virtual machines, images, and templates within one or multiple storage systems. STAR's recent efforts focused on deploying a CephFS POSIX compliant distributed storage system, we would enable the ability to couple our Ceph storage with the oVirt virtualization management system. When designing an intricate system for hosting critical services, it is a requirement to circumvent single points of failure. This work will involve the testing and viability of such an approach along with test cases for high availability, live migration, and service on demand.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

What, why and when to go virtual: An international analysis of early adopters of virtual building energy codes inspections

To meet greenhouse gas reduction targets, several countries are pursuing more ambitious policies in their buildings and construction sectors, such as introducing zero net energy/carbon building codes. Countries often report not having enough qualified staff for performing building energy code inspections and many are exploring faster, easier, and more reliable methods to check the compliance of buildings with their codes. Building inspections are a critical element for ensuring code compliance and they have traditionally been performed in person. However, in-person inspections can be labor and travel intensive, costly, and prone to human error. In this paper, the authors explore how virtual inspections, particularly in light of the recent COVID-19 pandemic, have impacted processes for building code compliance checks in jurisdictions and communities around the world. Here, the authors collected data on four key parameters (time and financial savings, scope of inspections, changing practices and technological innovation, and benefits to consumers) from six jurisdictions and communities in five countries (Australia, Canada, Singapore, United Arab Emirates, and the United States) to analyze the impacts of virtual inspections on code compliance checks. The analysis found the greatest value from virtual inspections in geographically dispersed regions and for cities experiencing rapid building construction. The study also explored emerging technologies that are being piloted for virtual inspections. Although many of these technologies hold promise, more resources and capacity are needed to make them viable for use in building energy code inspections.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

An array of virtual Frisch-grid CdZnTe detectors and a front-end application-specific integrated circuit for large-area position-sensitive gamma-ray cameras

We developed a robust and low-cost array of virtual Frisch-grid CdZnTe (CZT) detectors coupled to a front-end readout ASIC for spectroscopy and imaging of gamma rays. The array operates as a self-reliant detector module. It is comprised of 36 close-packed 6x6x15 mm 3 detectors grouped into 3x3 sub-arrays of 2x2 detectors with the common cathodes. The front-end analog ASIC accommodates up to 36 anode and 9 cathode inputs. Several detector modules can be integrated into a single- or multi-layer unit operating as a Compton or a coded-aperture camera. We present the results from testing two fully assembled modules and readout electronics. The further enhancement of the arrays’ performance and reduction of their cost are made possible by using position-sensitive virtual Frisch-grid detectors, which allow for accurate corrections of the response of material non-uniformities caused by crystal defects.

36 MATERIALS SCIENCE↗

Adaptation of Commercial Current-Controlled Inverters for Operation with Virtual Oscillator Control

Virtual oscillator control (VOC) is a decentralized time-domain control technique for ac microgrids where inverters are regulated to emulate the dynamics of weakly nonlinear oscillators. VOC enables the design of modular and scalable systems where inverters can synchronize and share power without communication and in near real-time. In this paper, we show how off-the-shelf commercial inverters with current control can be reprogrammed to behave as voltage sources with virtual oscillator dynamics for deployment in islanded settings. We focus on commercial grid-tied inverters that have an inner current-control loop and show how the outer-loop controls can be straightforwardly modified to enable voltage-control-mode operation. To illustrate the practicality and ease of our approach, the proposed strategy was implemented on a 3.2 kVA experimental test bed composed of 10 SunPower-brand micro-inverters with special firmware for VOC implementation. Results from the experiments not only demonstrate feasibility of the proposed dual-loop VOC architecture on a hardware setup but also show improved voltage regulation due to the additional voltage control loop.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Virtual Environment for Testing Software-Defined Networking Solutions for Scientific Workflows

Recent developments in software-defined infrastructures promise that scientific workflows utilizing supercomputers, instruments, and storage systems will be dynamically composed and orchestrated using software at unprecedented speed and scale in the near future. Testing of the underlying networking software, particularly during initial exploratory stages, remains a challenge due to potential disruptions, and resource allocation and coordination needed over the multi-domain physical infrastructure. To overcome these challenges, we develop the Virtual Science Network Environment (VSNE) that emulates the multi-site host, storage, and network infrastructure using Virtual Machines (VMs), wherein the production and nascent software can be tested. Within each VM, which represents a site, the hosts and local-area networks are emulated using Mininet, and the Software-Defined Network (SDN) controllers and service daemon codes are natively run to support dynamic provisioning of network connections. Additionally, Lustre filesystem support at the sites and an emulation of the long-haul network using Mininet, are provided using separate VMs. As case studies, we describe Lustre file transfers using XDD, Red5 streaming service demonstration, and an emulated experiment with remote monitoring and steering modules, all supported over dynamically configured connections using SDN controllers.

97 MATHEMATICS AND COMPUTING↗

New Virtual Test Bed Capabilities: Virtual DOME Model and New Updates to Repository

The Department of Energy (DOE) Office of Nuclear Energy National Reactor Innovation Center accelerates the deployment of novel reactor concepts by establishing both physical and virtual spaces for building and testing various components, systems, and complete pilot plants. The Virtual Test Bed represents the virtual arm of the National Reactor Innovation Center and is a joint effort with the DOE Nuclear Energy Advanced Modeling and Simulation Program. The Virtual Test Bed mission is to accelerate the deployment of advanced reactors by facilitating the adoption of cutting-edge DOE advanced modeling and simulation tools to design, evaluate, and license reactors. This is primarily achieved by storing example challenge problems in an externally available repository and by developing models to fill the M&S gaps needed for potential demonstrators. Activities conducted this fiscal year focused on developing of a Demonstration of Microreactor Experiments shield model to help accelerate the confirmatory analysis required for the reactor demonstration. This model and workflow will allow developers to leverage advanced modeling and simulation tools to ensure their reactor demonstration concept will meet dose requirements and that the surrounding shield will stay within concrete temperature limits during steady-state and transient operation conditions. An initial model has been developed to evaluate the temperature distribution in the concrete shield during steady-state operation, including neutron and gamma heating effects. Various modeling strategies have been examined to understand their applicability and limitations with different reactor designs to make the workflow as reactor-agnostic as possible and computationally effective to maximize its usability. In addition to describing the Demonstration of Microreactor Experiments shield model and associated results, this report summarizes other accomplishments regarding repository maintenance and improvement and new external models hosted on the repository.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Efficient Checkpointing of Virtual Machines using Virtual Machine Introspection

Cloud Computing environments rely heavily on system-level virtualization. This is due to the inherent benefits of virtualization including fault tolerance through checkpoint/restart (C/R) mechanisms. Because clouds are the abstraction of large data centers and large data centers have a higher potential for failure, it is imperative that a C/R mechanism for such an environment provide minimal latency as well as a small checkpoint file size. Recently, there has been much research into C/R with respect to virtual machines (VM) providing excellent solutions to reduce either checkpoint latency or checkpoint file size. However, these approaches do not provide both. This paper presents a method of checkpointing VMs by utilizing virtual machine introspection (VMI). Through the usage of VMI, we are able to determine which pages of memory within the guest are used or free and are better able to reduce the amount of pages written to disk during a checkpoint. We have validated this work by using various benchmarks to measure the latency along with the checkpoint size. With respect to checkpoint file size, our approach results in file sizes within 24% or less of the actual used memory within the guest. Additionally, the checkpoint latency of our approach is up to 52% faster than KVM s default method.

Aderholdt, Ferrol↗

Virtual synchronous generator system and method with virtual inertia control

A virtual synchronous generator device disclosed. The device includes an inverter and inverter controller having a power control portion, a power reserve portion, a power point tracking control portion, and a virtual inertia control portion. The power reserve portion determines an amount of power to be reserved and sends a signal, indicative of the determined amount of power to the power point tracking controller. The power point tracking controller determines a power point that is less than a MPP, and provides a signal to the power control portion indicative of the determined power point. The inertia control portion determines a virtual inertia and provides a signal indicative of the virtual inertia to the power control portion. The power control portion provides a power control signal to the inverter based on the power point tracking signal and the inertia command signal.

42 ENGINEERING↗

Visualizing biomolecular electrostatics in virtual reality with UnityMol-APBS

The APBS software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages. APBS has enjoyed widespread adoption throughout the biomedical community and is used in numerous applications involving biomolecular structures. However, visualization of complex biomolecular electrostatic properties can be challenging for two-dimensional graphics systems. Therefore, advanced visualization and manipulation capabilities have been incorporated. In particular, APBS tools have been integrated with the UnityMolX virtual reality platform to provide an immersive experience for preparing biomolecular systems for calculations as well as visualizing and comparing calculated results.

electrostatics, molecular visualization, solvation↗