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This Python package is developed for converting GROMACS files to ddcMD inputs. The code makes it easier for ddcMD users to convert GROMACS MD simulations into ddcMD. It is used in the MuMMI framework for multiscale MD simulations.
This software helps the user mathematically determine the losses in a boost converter they are designing. They can enter the component parasitic values from their component datasheets, and the software will calculate exactly where the losses are coming from. This can help the designer target and reduce specific sources of loss. It also helps system engineers compare the losses between AC and DC versions of the boost converter. Finally, it establishes a set of mathematical equations to help academics study loss theoretically.
Microbial lipids hold great promise as biofuel precursors, and research efforts to convert such lipids to renewable diesel fuels have been increasing in recent years. In contrast to the numerous literature reviews on growing, characterising and extracting lipids from oleaginous microbes, and on converting vegetable oils to hydrocarbon fuels, this review aims to provide insight into aspects that are specific to hydroprocessing microbial lipids. While standard hydrotreating catalysts generally perform well with terrestrial oils, differences in lipid speciation and the presence of co-extracted compounds, such as chlorophyll and sterols, introduce additional complexities into the process for microbial lipids. Lipid cleanup steps can be introduced to produce suitable feedstocks for catalytic upgrading.
This report is an addendum to SAND2013-9040: Methodology for Design and Economic Analysis of Marine Energy Conversion (MEC) Technologies. This report describes an Oscillating Water Column Wave Energy Converter reference model design in a complementary manner to Reference Models 1-4 contained in the above report. In this report, a conceptual design for an Oscillating Water Column Wave Energy Converter (WEC) device appropriate for the modeled reference resource site was identified, and a detailed backward bent duct buoy (BBDB) device design was developed using a combination of numerical modeling tools and scaled physical models. Our team used the methodology in SAND2013-9040 for the economic analysis that included costs for designing, manufacturing, deploying, and operating commercial-scale MEC arrays, up to 100 devices. The methodology was applied to identify key cost drivers and to estimate levelized cost of energy (LCOE) for this RM6 Oscillating Water Column device in dollars per kilowatt-hour ($/kWh). Although many costs were difficult to estimate at this time due to the lack of operational experience, the main contribution of this work was to disseminate a detailed set of methodologies and models that allow for an initial cost analysis of this emerging technology. This project is sponsored by the U.S. Department of Energy's (DOE) Wind and Water Power Technologies Program Office (WWPTO), within the Office of Energy Efficiency & Renewable Energy (EERE). Sandia National Laboratories, the lead in this effort, collaborated with partners from National Laboratories, industry, and universities to design and test this reference model.
DYNAMO is a computer program for building and running 'continuous' simulation models. It was developed by the Industrial Dynamics Group at the Massachusetts Institute of Technology for simulating dynamic feedback models of business, economic, and social systems. The history of the system dynamics method since 1957 includes many classic models built in DYANMO. It was not until the late 1980s that software was built to take advantage of the rise of personal computers and graphical user interfaces that DYNAMO was supplanted. There is much learning and insight to be gained from examining the DYANMO models and their accompanying research papers. We believe that it is a worthwhile exercise to convert DYNAMO models to more recent software packages. We have made an attempt to make it easier to turn these models into a more current system dynamics software language, Powersim © Studio produced by Powersim AS 2 of Bergen, Norway. This guide shows how to convert DYNAMO syntax into Studio syntax.
The information age was maturing, and photonics was emerging as a significant technology with important'national security and commercial implications at the time of the CRADA. This was largely due to the vast information carrying capacity of optical beams and the availability of cheap.and effective optical fiber waveguides to guide the light. However, a major limitation to the widespread deployment of photonic systems was the high-cost (in an economic and performance sense) associated with coupling optical power between optoelectronic waveguide devices or between a device and an optical fiber. The problem was critical in the case of single-mode waveguide devices. Mitigating these costs would be a significant and pervasive enabler of the technology for a wide variety of applications that would have crucial defense and economic impact. The partners worked together to develop optical mode size converters on silicon substrates. Silicon was chosen because of its compatibility with the required photolithographic and micromachining techniques. By choosing silicon, these techniques could enable the close coupling of high-speed, high density silicon electronic circuitry to efficient low-cost photonics. The efficient coupling of electronics and photonics technologies would be important for many information age technologies. The joint nature of this project was intended to allow HP to benefit from some unique LLNL capabilities, and LLNL would be in a position to learn from HP and enhance its value to fundamental DP missions. Although the CRADA began as a hardware development project to develop the mode converter, it evolved into a software development venture. LLNL and HP researchers examined literature, performed some preliminary calculations, and evaluated production trade-offs of several known techniques to determine the best candidates for an integrated system.
Research and development of new energy materials for thermionic power generation for both nuclear and nonnuclear applications. Research focused on novel nuclear power generation materials in the form of advanced nuclear thermionic converters as well as general development of non-nuclear based thermionic power generation systems. Experiments were conducted at the Van de Graaf accelerator facility at Argonne and at Atlas own facility. Proof-of-principle experiments at Van de Graaff accelerator demonstrated feasibility of the technology for direct heat to electricity conversion. Further development of thermionic converter is conducted at Atlas facility. Argonne designed the universal testing bench for testing of different materials/coating/surface modified cathodes for thermionic energy conversion.
In order to generate a public data set that can be used to validate Wave Energy Converter (WEC) numerical codes, such as WEC-Sim, Sandia National Laboratories led an experimental testing campaign of a 1:33 scale Floating Oscillating Surge Wave Energy Converter (FOSWEC) in the Directional Wave Basin at Oregon State University's Hinsdale Wave Research Laboratory. Testing was performed in two phases; Phase 1 testing was completed in November - December 2015, and Phase 2 testing was completed in May - June 2016. This experimental testing report details the selection and design of a FOSWEC, experimental setup and tests, and overview of the resulting dataset from Phase 1 and Phase 2 testing.
Battelle has demonstrated a patented process for making high-value, polyurethane (PU) foam from coal, based on preparing liquefied coal via direct liquefaction, converting it to polyols as an intermediate via ozonation, and then making PU foams from these polyols. This process represents a breakthrough in innovative utilization of U.S. coals, and is applicable to bituminous as well as sub-bituminous coals. The resulting PU foam products are projected to have an extremely high value (i.e., over $\$5,000$ /ton), with nearly 100% of carbon utilization from coalderived liquid feedstock, and 31.5% to 43.5% of the carbon in the PU foam polyol product being bio-based. The targeted products represent an extremely large (i.e., over $80 billion/year), existing PU foam market, which could expand into making coatings and adhesives. The process can further help reduce petroleum imports, while improving the economics of PU foam production. This work was completed with funding from the National Energy Technology Laboratory (NETL), with cost share from the State of Ohio’s Ohio Development Services Agency (ODSA) and others, and has advanced the process to 10 kg/day continuous scale and thus to Technology Readiness Level (TRL) 5. A total of 48 coal-based polyols were prepared and evaluated. The initial 28 polyols focused on range finding for ideal conditions. The later 20 polyols were produced as part of process optimizations. These optimizations were targeted around a continuous ozonolysis process to evaluate extended time reactions and to create the necessary intermediate for production of 1-gallon samples of polyol. The most unique attribute of Battelle’s polyol is in the utilization of coal’s aromaticity to gain final foam rigidity. Typically, polyols depend on the isocyanate fraction and cross-linking to gain rigidity. By utilizing coal, we were able to maintain rigidity while reducing the overall hydroxyl value of the polyol. This is important as lower hydroxyl value leads to greater percent weight of the coal-based polyol because less isocyanate is required for foaming. This leads to greater foam cost savings. This report provides the details, process, and process cost models of the conversion of coal to polyols and further to PU foams. Battelle’s process begins with coal liquids. These liquids can be obtained by two processes: coal coking or pyrolysis to produce coal tar, and Battelle’s biobased coal-to-liquids (CTL) process to produce heavy syncrude after liquifying >85% coal. After liquification, Battelle utilizes ozonolysis to create functionalization on the polyaromatic coal structure. The functionalization is then converted to the final polyester polyol through transesterification, or to hydroxyamide polyol through amidification. Equivalent or better standard properties have been obtained for 2 lb/ft 3 density rigid, water and freon-alternative blown foams, including compressive strength, density, R-value, and dimensional stability. Target applications for these foams are insulation, packaging, and energy-absorbing foams. Some exploratory testing also showed promise for adhesives applications. A detailed economic analysis showed that Battelle’s polyol process is economical, at a 140 metric tons per day (MTD) polyol production scale. An attractive return on investment (ROI) at competitive pricing validates the process is ready for a pilot-plant demonstration. A scale-up plan is provided.
Oak Ridge National Laboratory (ORNL) collaborated with the Université de Sherbrooke (UdeS) to design a modular and scalable tile of innovative digital photodetectors called Photon-to-Digital Converters (PDC) and the required subsystems to demonstrate the feasibility of large area single-photon detectors to support high-resolution, depth-of-interaction, fast neutron radiography based on scintillation detectors. The goal is to demonstrate the advantages of using PDC over conventional Silicon Photomultiplier (SiPM) for neutron imaging systems. The basic building blocks of analog SiPM and PDC are Single-Photon Avalanche Photodiodes (SPAD). The main difference between conventional SiPMs and PDCs, is in the fact that analog SiPMs sum the charge produced by individual SPAD passively, while in PDCs each SPAD is read out individually by an active electronic circuit. Hence, PDCs provide a direct photon-to-bit conversion where a logic “1” means that there was a detection in a given SPAD. Conversely, an analog SiPM requires a sophisticated preamplifier (current amplifiers or transimpedance amplifier) followed by a shaping amplifier and an analog-to-digital converter. Moreover, since the charge from each SPAD varies slightly, the passive sum of the analog SiPM will have signal fluctuations for the same amount of photon detected. This is one of many issues that is completely eliminated by individual one-to-one SPAD read out in PDCs. The large area required for scintillator readouts for neutron imaging is such that the output capacitance of a large area of SiPM arrays is very high. This creates a burden on the signal-to-noise optimization with respect to the power budget. For PDC, the power consumption is dictated by rate of the incident photon flux, or in photon-starved environments, the dark noise rate of the SPAD array. In other words, the power consumption in the absence of events is extremely low. Hence, the power consumption of a PDC read out system is much lower than its analog counterpart. Further, the large SiPM capacitance may introduce signal distortions on the scintillator fast rise or decay time with undesired effects on timing and pulse shape discrimination. The problem is absent in PDCs, as their readout is independent on device capacitance. UdeS is the world leader in 3D vertical integration of frontside illuminated SPAD arrays over CMOS readouts. These capabilities allow future production of “3D PDC” with maximum photosensitive fill factor and electronic functionalities tailored to the application. UdeS' vast knowledge of SPADs and CMOS design made the team an ideal collaborator in the development of large area high-resolution fast neutron radiography.
This project seeks to develop a modular, scalable MV power converter featuring stability-enhanced grid-support functions for future grid-interface applications in flexible combined heat and power (F-CHP) cogeneration plants, being fully compliant with the IEEE Standard 1547, category B—for operation in local areas with high aggregated distributed energy resource (DER) penetration, and also with the IEEE standard for the specification of microgrid controllers, namely IEEE Std 2030.7, with the goal to enable F-CHP systems for both microgrid and standalone applications. Further, the proposed converter will use a modular circuit topology, the MMC, which is scalable both in voltage and current by interconnecting power-cell building blocks, thus flexibly suiting the needs of F-CHP systems in the 1–20 MWe range. Furthermore, the use of 10 kV SiC MOSFET devices will minimize the number of power-cells needed to operate in 2–13.8 kV MV distribution systems, but more importantly, they will render feasible a power conversion efficiency > 98 %, and a power density > 10 kW/l. This is highly relevant given that these are two key performance metrics that will further increase the value of F-CHP systems by shortening the time required to recover their investment costs.
Coal-derived liquids are converted to polyols via an ozonation process. The polyols can then be converted to polyurethane products, including foams.
Platinum group metals (PGMs) are used in three-way catalysts (TWCs) for stoichiometric gasoline engine vehicles to simultaneously convert carbon monoxide, hydrocarbons, and nitrogen oxides into nitrogen, carbon dioxide and water. For US light duty gasoline vehicles, about 3-8 grams of PGMs are used in each catalytic converter system and the PGM loading is expected to increase for future vehicles, driven by increasingly stringent emissions standards, potentially lower engine exhaust temperatures, and higher emission control system durability requirements. The technical necessity for the current high PGM loadings is largely driven by: 1) poor atomic efficiency (or metal dispersion) of PGMs on catalyst supports with the current synthesis approaches, and 2) severe deactivation of unstable PGM nanoparticles in high temperature engine exhaust. Therefore, the project team will develop catalyst technologies that not only maximize the PGM atom efficiency and intrinsic activity in the fresh state, but also maintain the benefits during aging with extended exposure in engine exhaust.
This project’s objective was to improve the quality of acoustic information about marine energy converters that could be collected from groups of drifting hydrophones, while reducing the costs of deployment and data analysis. This was achieved through technology development addressing four focus areas: (1) minimizing flow-noise and self-noise, (2) integrating metadata streams into a single data acquisition system, (3) developing post-processing routines to facilitate rapid data review, and (4) enabling objective identification of marine energy converter sound against a backdrop of ambient noise using time-delay-of-arrival localization.
A novel power transistor architecture, the GaN c ore-shell n anofin ver tical transistor (CoNVerT) to address fundamental challenges in realizing the ultimate limit of GaN power transistor performance was explored experimentally. This technology promises ultra-high-efficiency high voltage/high power applications (e.g. DC/DC converters, motor control, fast charging, actuation), as well as to operate in harsh environments. The device exploits a vertical superjunction structure based on an experimentally-validated core-shell nanofin growth process in which lateral p-n heterojunctions are formed in a single growth step, while still maintaining vertical current flow for compact die size and low cost. The concept leverages the best properties of GaN for mid-range voltage applications: high mobility, high breakdown voltage, and native heterojunction enhancement-mode operation. Due to the crystallographic nature of the nanofin growth by molecular beam epitaxy, the sidewall heterojunctions occur on non-polar planes, resulting in ultra-smooth interfaces for high mobility, no sidewall etch damage and related surface/interface states, and elimination of piezoelectric effects that can limit reliability in conventional structures. This also facilitates superjunction formation for maximum device performance, and the selective-area growth of the nanofin results in dislocation-free growth, even on low-cost Si (111) substrate. In this program, core-shell nanofins were grown by molecular beam epitaxy, test structures to evaluate the doping, resistivity, and other electrical properties were fabricated, and the material and test structures were characterized in detail. The work identified clear potential (e.g., the doping was well controlled as required for superjunction concepts), but also additional areas that require additional effort to resolve (some unexpected crystal defects were encountered that require additional engineering to overcome). Simulation studies of the proposed concept validate that the fundamental approach is very promising, but additional effort in experimental realization is needed.
A new technique is proposed for the design of nonlinear causal feedback controllers for wave energy converters, which explicitly protect against stroke saturation. Here, the technique is an improvement of a technique originally proposed. The primary challenge associated with the problem is the design of nonlinear controllers for which global closed-loop stability can be assured with probability 1 for stationary stochastic response, without also unduly sacrificing power generation performance. The proposed technique consists of three steps: 1) designing a linear feedback controller using multi-objective optimization techniques; 2) augmenting this design with an extra input channel that adheres to a closed-loop passivity condition; and 3) designing an outer, nonlinear passive feedback loop that controls this augmented input in such a way as to ensure stroke limits are maintained. The primary contribution of this paper is a fundamental improvement to the second of these steps, for which the previous technique was not guaranteed to return a valid solution. The proposed technique, by contrast, is shown to always produce a nonlinear controller with the desired properties, under very general modeling assumptions. The technique is illustrated on a simple heaving-buoy wave energy converter example.
Wave Energy Converters (WECs) rely on effective Power Take-Off (PTO) control strategies to maximize energy absorption under dynamic sea conditions. Traditional hydrodynamic modeling techniques may require computationally intensive convolution calculations, making real-time control implementation challenging. This paper presents an alternative approach by leveraging instantaneous frequency estimation to dynamically adjust PTO damping in response to varying wave frequencies. Two real-time frequency estimation methods are explored: the Hilbert Transform (HT) and Phase-Locked Loop (PLL). The Hilbert Transform method provides accurate frequency tracking but introduces a delayed response due to its dependence on causal data. Conversely, the PLL approach demonstrates strong potential in frequency tracking but requires careful gain tuning, particularly in complex sea states. Comparative evaluations across multiple test cases—including sinusoidal variations, amplitude steps, frequency step changes, and real-world JONSWAP spectrum waves—highlight the strengths and limitations of each method. The two different PTO control techniques across the various frequency estimation methods were tested under real-sea states using a state-space model of a point-absorbing Wave Energy Converter. The Capture Width Ratio (CWR) is used as a performance metric, with results showing that the HT achieves a 10.6% improvement, while the PLL estimation yields a 0.9% improvement relative to the fixed parameter control baseline. These results highlight the effectiveness of real-time frequency estimation in improving energy absorption compared to static control parameters.
Reliability is one of the critical issues for a modular multilevel converter (MMC) since it consists of a large number of series-connected power electronics submodules (SMs). Here in this paper, a complete control strategy including fault detection, localization, and tolerant operation is proposed for the MMC under an insulated gate bipolar transistor (IGBT) open circuit fault. According to the output characteristics of the SM with the open-circuit fault of IGBT, a fault detection method based on the circulating current and output current observation is used. In order to further precisely locate the position of the faulty SM, a fault localization method based on the SM capacitor voltage observation is developed. After the faulty SM is isolated, the continuous operation of the converter is ensured by adopting the fault-tolerant strategy based on the use of redundant modules. To verify the proposed fault detection, fault localization, and fault-tolerant operation strategies, a 900 kVA MMC system under the conditions of an IGBT open circuit is developed in the Matlab/Simulink platform. The capabilities of rapid detection, precise positioning, and fault-tolerant operation of the investigated detection and control algorithms are also demonstrated.