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At least 73 records · Page 4

A modular and extensible CHARMM-compatible model for all-atom simulation of polypeptoids

Peptoids (N-substituted glycines) are a class of sequence-defined synthetic peptidomimetic polymers with applications including drug delivery, catalysis, and biomimicry. Classical molecular simulations have been used to predict and understand the conformational dynamics of single chains and their self-assembly into morphologies including sheets, tubes, spheres, and fibrils. The CGenFF-NTOID model based on the CHARMM General Force Field has demonstrated success in accurate all-atom molecular modeling of peptoid structure and thermodynamics. Extension of this force field to new peptoid side chains has historically required reparameterization of side chain bonded interactions against ab initio data. This fitting protocol improves the accuracy of the force field but is also burdensome and precludes modular extensibility of the model to arbitrary peptoid sequences. In this work, we develop and demonstrate a Modular Side Chain CGenFF-NTOID (MoSiC-CGenFF-NTOID) as an extension of CGenFF-NTOID employing a modular decomposition of the peptoid backbone and side chain parameterizations, wherein arbitrary side chains within the large family of substituted methyl groups (i.e., –CH 3 , –CH 2 R, –CHRR', and –CRR'R") are directly ported from CGenFF. We validate this approach against ab initio calculations and experimental data to develop a MoSiC-CGenFF-NTOID model for all 20 natural amino acid side chains along with 13 commonly used synthetic side chains and present an extensible paradigm to efficiently determine whether a novel side chain can be directly incorporated into the model or whether refitting of the CGenFF parameters is warranted. We make the model freely available to the community along with a tool to perform automated initial structure generation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Multi-Objective Boundary Analysis of Discrete and Integrated SiC FET Modular Non-inverting Buck and Boost Converters for Fuel Cell EVs

This paper presents a multi-objective analysis of discrete and integrated SiC FET-based non-inverting buck-boost converter modules for modular fuel cell electric vehicle (EV) systems. Two converter ratings, 60 kW and 90 kW, are evaluated for both implementations, scalable up to 420 kW and 450 kW, respectively. Performance is assessed across efficiency, volumetric and gravimetric power density, cost, thermal stress, and estimated lifetime, where lifetime is derived from SiC FET B10 power-cycling data and junction temperature variations at rated power. A normalized overall performance index combined with a Pareto-boundary framework is used to identify configurations that optimally balance competing objectives. Results show that most configurations lie on the Pareto front, providing balanced trade-offs, while certain high-power discrete (90 kW at 450 kW) and integrated (60 kW at 180−420 kW) configurations are dominated. In general, discrete modules are more favorable for lower-power modular systems due to higher power density and lower cost, whereas integrated modules become more advantageous at higher power levels due to improved thermal behavior and longer lifetime. These findings provide practical design guidance for scalable fuel cell converter architectures and highlight the importance of system-level trade-offs in modular power electronics design.

Asa, Erdem [ORNL] (ORCID:0000000190884812)

Modularization of Ceramic Hollow Fiber Membrane Technology for Air Separation

This proposed project is aimed at studying high performance and economically competitive ceramic membrane technology for air separation and high-purity oxygen production using hollow fiber ceramic membrane stack and module technology. The design of the single permeate membrane is a hollow fiber substrate-supported thin tri-layer structure. Radially well-aligned micro-channels are embedded in the thick substrate and open at the inner surface of the substrate, enabling facile air/gas diffusion. The tri-layer structure of thin dense membrane layer (~ 10 µm) sandwiched by porous surface layer on either side is then built on the substrate using advanced fabrication process. The tri-layer structure design allows different materials to be used in different layers, where the materials of surface layers have high surface exchange coefficients while the material of dense layer has high bulk diffusivity. Such a synergetic combination leads to high permeation performance. The focus of the proposed project will be on membrane stack/module development using the developed single hollow fiber membranes, including: 1) fabrication and characterization of novel single hollow fiber membranes; 2) membrane stack design and assembly using fabricated single membranes; 3) stack modeling and analysis to guide membrane stack designs; 4) permeation performance testing and characterization of membrane stacks. The hollow fiber feature and simple sealing requirement enable very compact design of membrane stacks, which have excellent flexibility for further modularizations at different scales. The operations of such membrane stack and module may employ the exhaust heat from other components of Integrated Gasification Combined Cycle and oxy-combustion systems. Therefore, modularization of such an air separation membrane technology can be incorporated into the DOE’s REMS (radically engineered modular systems)-gasification skid and support the oxidant feed of an oxygen-blown REMS gasifier scaled to different ranges.

01 COAL, LIGNITE, AND PEAT

A Modular Oxygen-Selective System for Combustion Systems

Small-scale modular systems for oxygen generation offer clear benefits, including improved energy efficiency, reduced operating costs, and the flexibility to meet location-specific needs. We propose that a compact modular system could be developed using a solvent-based method for capturing and releasing oxygen, enabling “oxygen on demand” for various combustion technologies. In this project, we aim to develop and demonstrate a modular oxygen-selective approach based on Battelle IPID 31740. The use of designer solvents, which are reversible, single-component solvents capable of dissolving and separating oxygen from air, offers the advantage of unlimited chemical tunability to achieve desirable properties for efficient oxygen separation. We filed U.S. Patent (32845-E, iEdison No. 0685901-23-0184).

36 MATERIALS SCIENCE

Modular Processing of Flare Gas for Carbon Nanoproducts

This project demonstrated the technical viability and economic promise of a modular system for converting flared natural gas into valuable carbon nanoproducts (CNPs) through catalytic chemical vapor deposition (CVD). All major project milestones were successfully completed, including reactor design and commissioning, catalyst development, process optimization, technoeconomic analysis, and application testing in concrete systems. The overarching goal was to create a scalable, field-deployable process that valorizes stranded methane by producing high-value carbon materials for use in cementitious composites. At the lab scale, the team designed and built a fluidized bed reactor optimized for use with silica fume-supported nickel catalysts synthesized via atomic layer deposition (ALD). A statistically designed sintering study enabled precise tuning of nickel nanoparticle size, identifying the influence of oxygen partial pressure, time, and temperature on catalyst morphology and performance. These insights allowed the team to target catalyst conditions that maximize carbon nanofilament growth. Subsequent CVD experiments achieved up to 31.8 wt% carbon deposition under optimized conditions, with TEM confirming the presence of nanofilament structures and sustained hydrogen evolution during reaction. Reactor upgrades and empirical fluidization studies supported the development of reliable, repeatable experimental protocols. The modular pilot-scale skid reactor was fully constructed, instrumented, and commissioned. Capable of operating at 675–800°C and pressures up to 290 psig, the system was designed for continuous operation at a carbon production rate of 1 kg/hr. Initial demonstration runs confirmed solids handling, thermal control, and system leak-tightness, although a critical reactor component (the downfeed tube) was inadvertently omitted during final assembly. This omission limited gas–solid contact and prevented meaningful carbon deposition during pilot-scale CVD runs. Nonetheless, the system operated safely under design conditions, and the root cause of performance limitations was clearly identified. Complementary work on UHPC formulations demonstrated that small additions of carbon nanoproducts, including those derived from flare gas, can significantly enhance mechanical performance while preserving workability. A comprehensive study of CNF dispersion techniques and mix design optimization led to a clear protocol for integrating these nanomaterials into concrete. Incorporation of CNPs improved flexural toughness and reduced porosity, supporting their use in high-performance infrastructure applications. A technoeconomic analysis (TEA) confirmed that this process can produce CNP-loaded catalyst material at a levelized cost below $\$$7/kg across a range of catalyst loadings and reaction yields. With estimated market values for the carbon composite product ranging from $\$$14 to over $\$$60/kg, and the ability to blend CNPs into concrete at sub-percent levels with less than 10% added cost, the system presents a compelling economic case. While additional engineering work is needed to optimize fluidization and heat transfer at scale, this project establishes a strong foundation for commercial development. The process is not only technically sound but also economically promising, representing a viable pathway for flare gas mitigation through modular carbon nanomaterial production.

03 NATURAL GAS

Model Development for the ACME Lab Modular Wall and A-Frame Assemblies

The structural frame used for conducting large structural tests was replaced by the ACME (Applied Combined Mechanical Environments) Lab in Building 860 of Sandia National Laboratories in Albuquerque, NM. This new design required simulation and analysis to verify maximum loads and corresponding factors of safety. Two major assemblies which are part of the ACME Lab, the Modular Wall and A-Frame, were designed to operate with a multitude of components in various configurations and with varying loads. Simulations of the Modular Wall and A-Frame structures were performed through explicit analysis to determine safety factors for numerous loading scenarios. The Modular Wall had safety factors of 1.1 for the lateral, diagonal, and gusset loading conditions. The A-Frame had safety factors of 2 for all loading conditions simulated.

42 ENGINEERING

Modular Staged Pressurized Oxy-Combustion (SPOC) Power Plant for Coal and Biomass – Integration of Combustor Boiler and DCC

Utilities and grid operators worldwide are under significant pressure to incorporate intermittent renewable sources while strategizing on how to maintain the necessary stability and reliability of the grid. The development of a power plant which will be capable of flexible operation to meet the needs of the grid as more intermittent sources like wind and solar energy are incorporated is key to maintain the reliability of the grid. Through the use of innovative and cutting-edge technologies that improve efficiency and reduce carbon emissions, and being small compared to today's conventional utility-scale power plants, the modular Staged, Pressurized Oxy-Combustion (SPOC) process envisioned by and under development at Washington University in St. Louis (WUSTL) has the potential to achieve these goals. Specifically, the process offers: 1) a modular plant design that allows for better operational flexibility; 2) the utilization of fuel-staging and pressurized oxy-combustion, resulting in smaller plant size, improved plant efficiency, and reduced costs for pollutant and CO2 removal compared to traditional power plants with post-combustion capture technology; and 3) the use of small modular boilers and pollutant removal units that can be constructed off-site leading to reduced capital costs for the plant. WUSTL is advancing the development of the critical components for the SPOC power plant, including the integrated combustor-boiler system and the direct contact cooler. To demonstrate the boiler convective section and to obtain critical data for commercial-scale pressurized boiler design, a simulated convective heat transfer boiler test section was designed and integrated with the combustor (radiant section). A direct contact cooler (DCC) was integrated with the combustor-boiler to demonstrate the dynamic operation of the integrated system and the performance of the DCC, including the efficiency for simultaneous removal of NOx and SOx. This talk will present an update on the evaluation of the critical components for system integration, including heat transfer data from the simulated boiler, scrubbing efficiency for the DCC under different operating conditions, and CFD modeling and validation for burner and boiler development.

Magalhaes, Duarte

Modular space station phase B extension preliminary system design. Volume 7: Ancillary studies

Sortie mission analysis and reduced payloads size impact studies are presented. In the sortie mission analysis, a modular space station oriented experiment program to be flown by the space shuttle during the period prior to space station IOC is discussed. Experiments are grouped into experiment packages. Mission payloads are derived by grouping experiment packages and by adding support subsystems and structure. The operational and subsystems analyses of these payloads are described. Requirements, concepts, and shuttle interfaces are integrated. The sortie module/station module commonality and a sortie laboratory concept are described. In the payloads size analysis, the effect on the modular space station concept of reduced diameter and reduced length of the shuttle cargo bay is discussed. Design concepts are presented for reduced sizes of 12 by 60 ft, 14 by 40 ft, and 12 by 40 ft. Comparisons of these concepts with the modular station (14 by 60 ft) are made to show the impact of payload size changes.

Jones, A. L.

Multi-kilowatt modularized spacecraft power processing system development

A review of existing information pertaining to spacecraft power processing systems and equipment was accomplished with a view towards applicability to the modularization of multi-kilowatt power processors. Power requirements for future spacecraft were determined from the NASA mission model-shuttle systems payload data study which provided the limits for modular power equipment capabilities. Three power processing systems were compared to evaluation criteria to select the system best suited for modularity. The shunt regulated direct energy transfer system was selected by this analysis for a conceptual design effort which produced equipment specifications, schematics, envelope drawings, and power module configurations.

Andrews, R. E.

Development and analysis of a modular approach to payload specialist training

A modular training approach for Spacelab payload crews is described. Representative missions are defined for training requirements analysis, training hardware, and simulations. Training times are projected for each experiment of each representative flight. A parametric analysis of the various flights defines resource requirements for a modular training facility at different flight frequencies. The modular approach is believed to be more flexible, time saving, and economical than previous single high fidelity trainer concepts. Block diagrams of training programs are shown.

Watters, H.

Initial characterization of a modular heat exchanger with an integral heat pipe

As part of the Civil Space Technology Initiative (CSTI) Advanced Technology program, a conceptual design of the Stirling space engine (SSE) was generated. The overall goal of the CSTI high capacity power element is to develop the technology base needed to meet the long duration, high capacity power requirements for future NASA space missions. The free-piston Stirling engine (FPSE) was chosen as the growth option in the CSTI program. A major goal during the conceptual design of the SSE was to reduce the number of critical joints. One area of concern was the heat exchanger assemblies that typically have the majority of critical joints. The solution proposed in the SSE conceptual design used 40 modular heat exchangers. Each module has its own integral heat pipe to transport heat from the heat source to the engine. A demonstration of the modular concept was undertaken before committing to the detailed design of the SSE heat exchangers. An existing FPSE was modified as a test bed for modular heat exchanger evaluation. The engine incorporated three heat exchanger modules, each having a sodium filled heat pipe. The thermal loading of these modules was intended to be similar to the conditions projected for the SSE modules. The engine was assembled and tests are underway. The design and fabrication of the heat exchanger modules and the engine used for these tests were described. Evaluation of the individual heat pipes before installation in the engine is described. The initial test results with the modules in operation on the engine were presented. Future tests involving the engine were outlined.

Schreiber, Jeffrey G.

MALEO: Modular Assembly in Low Earth Orbit. A strategy for an IOC lunar base

Modular Assembly in Low Earth Orbit (MALEO) is a new strategy for building an initial operational capability lunar habitation base. In this strategy, the modular lunar base components are brought up to Low Earth Orbit by the Space Transportation System/Heavy Lift Launch Vehicle fleet, and assembled there to form a complete lunar base. Modular propulsion systems are then used to transport the MALEO lunar base, complete and intact, all the way to the moon. Upon touchdown on the lunar surface, the MALEO lunar habitation base is operational. An exo-skeletal truss superstructure is employed in order to uniformly absorb and distribute the rocket engine thrusting forces incurred by the MALEO lunar base during translunar injection, lunar orbit insertion, and lunar surface touchdown. The components, configuration, and structural aspects of the MALEO lunar base are discussed. Advantages of the MALEO strategy over conventional strategies are pointed out. It is concluded that MALEO holds promise for lunar base deployment.

Thangavelu, M.

Project Antares: A low cost modular launch vehicle for the future

The single stage to orbit launch vehicle Antares is based upon the revolutionary concept of modularity, enabling the Antares to efficiently launch communications satellites, as well as heavy payloads, into Earth's orbit and beyond. The basic unit of the modular system, a single Antares vehicle, is aimed at launching approximately 10,000 kg into low Earth orbit (LEO). When coupled with a Centaur upper stage it is capable of placing 3500 kg into geostationary orbit. The Antares incorporates a reusable engine, the Dual Mixture Ratio Engine (DMRE), as its propulsive device. This enables Antares to compete and excel in the satellite launch market by dramatically reducing launch costs. Antares' projected launch costs are $1340 per kg to LEO which offers a tremendous savings over launch vehicles available today. Inherent in the design is the capability to attach several of these vehicles together to provide heavy lift capability. Any number of these vehicles, up to seven, can be attached depending on the payload and mission requirements. With a seven vehicle configuration Antares's modular concept provides a heavy lift capability of approximately 70,000 kg to LEO. This expandability allows for a wider range of payload options such as large Earth satellites, Space Station Freedom support, and interplanetary spacecraft, and also offers a significant cost savings over a mixed fleet based on different launch vehicles.

Aarnio, Steve

Miniature modular microwave end-to-end receiver

An end-to-end microwave receiver system contained in a single miniature hybrid package mounted on a single heatsink is presented. It includes an input end connected to a microwave receiver antenna and an output end which produces a digital count proportional to the amplitude of a signal of a selected microwave frequency band received at the antenna and corresponding to one of the water vapor absorption lines near frequencies of 20 GHz or 30 GHz. The hybrid package is on the order of several centimeters in length and a few centimeters in height and width. The package includes an L-shaped carrier having a base surface, a vertical wall extending up from the base surface and forming a corner therewith, and connection pins extending through the vertical wall. Modular blocks rest on the base surface against the vertical wall and support microwave monolithic integrated circuits on top surfaces thereof connected to the external connection pins. The modular blocks lie end-to-end on the base surface so as to be modularly removable by sliding along the base surface beneath the external connection pins away from the vertical wall.

Sukamto, Lin M.

Antares: A low cost modular launch vehicle for the future

The single-stage-to-orbit launch vehicle Antares is a revolutionary concept based on identical modular units, enabling the Antares to efficiently launch communications satellites, as well as heavy payloads, into Earth orbit and beyond. The basic unit of the modular system, a single Antares vehicle, is aimed at launching approximately 10,000 kg (22,000 lb) into low Earth orbit (LEO). When coupled with a standard Centaur upper stage, it is capable of placing 4000 kg (8800 lb) into geosynchronous Earth orbit (GE0). The Antares incorporates a reusable engine, the Dual Mixture Ratio Engine (DMRE), as its propulsive device. This enables Antares to compete and excel in the satellite launch market by dramatically reducing launch costs. Inherent in the design is the capability to attach several of these vehicles together to provide heavy lift capability. Any number of these vehicles can be attached depending on the payload and mission requirements. With a seven-vehicle configuration, the Antares' modular concept provides a heavy lift capability of approximately 70,000 kg (154,000 lb) to LEO. This expandability allows for a wide range of payload options, such as large Earth satellites, Space Station Freedom material, and interplanetary spacecraft, and also offers a significant cost savings over a mixed fleet based on different launch vehicles.

Source record

Application of the Modular Automated Reconfigurable Assembly System (MARAS) concept to adaptable vision gauging and parts feeding

This paper presents the first phase results of a collaborative effort between university researchers and a flexible assembly systems integrator to implement a comprehensive modular approach to flexible assembly automation. This approach, named MARAS (Modular Automated Reconfigurable Assembly System), has been structured to support multiple levels of modularity in terms of both physical components and system control functions. The initial focus of the MARAS development has been on parts gauging and feeding operations for cylinder lock assembly. This phase is nearing completion and has resulted in the development of a highly configurable system for vision gauging functions on a wide range of small components (2 mm to 100 mm in size). The reconfigurable concepts implemented in this adaptive Vision Gauging Module (VGM) are now being extended to applicable aspects of the singulating, selecting, and orienting functions required for the flexible feeding of similar mechanical components and assemblies.

By, Andre Bernard

Modular, Hierarchical Learning By Artificial Neural Networks

Modular and hierarchical approach to supervised learning by artificial neural networks leads to neural networks more structured than neural networks in which all neurons fully interconnected. These networks utilize general feedforward flow of information and sparse recurrent connections to achieve dynamical effects. The modular organization, sparsity of modular units and connections, and fact that learning is much more circumscribed are all attractive features for designing neural-network hardware. Learning streamlined by imitating some aspects of biological neural networks.

Baldi, Pierre F.

Modular Software for Spacecraft Navigation Using the Global Positioning System (GPS)

The Goddard Space Flight Center Flight Dynamics and Mission Operations Divisions have jointly investigated the feasibility of engineering modular Global Positioning SYSTEM (GPS) navigation software to support both real time flight and ground postprocessing configurations. The goals of this effort are to define standard GPS data interfaces and to engineer standard, reusable navigation software components that can be used to build a broad range of GPS navigation support applications. The paper discusses the GPS modular software (GMOD) system and operations concepts, major requirements, candidate software architecture, feasibility assessment and recommended software interface standards. In additon, ongoing efforts to broaden the scope of the initial study and to develop modular software to support autonomous navigation using GPS are addressed,

Truong, S. H.