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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Experimental Operation of a Prototype 750C Advanced Chloride Molten Salt Bellows Valve

To achieve DOE 2030 SunShot targets that reduce the cost of liquid-based solar by an additional 40% to 70% beyond 2018 costs, a more reliable, highly manufacturable flow valve, capable of achieving operational temperatures of >700°C is required [1]. This paper investigates the development of an innovative high-temperature chloride molten salt valve, with operation up to 750°C. This valve is intended to be employed within Gen 3 CSP liquid-based thermal energy storage (TES) systems as well as Gen 4 modular salt reactor (MSR) technologies. This work details the general design and flow testing of a bellows-seal flow control valve (FCV). This design includes an integrated closed-loop thermal control system to ensure robust design for freeze-thaw cycles. The self-contained thermal management STM system, is unique in the salt valve industry since it is an integrated solution to provide a consistent, repeatable alternative to typical heat tracing. Additionally, the design includes the employment of a novel heat pipe valve stem to facilitate enhanced passive thermal management into the valve assembly. This valve stem heat pipe is designed to facilitate natural circulation within the bonnet to ensure robust operation, during both nominal and transient thermal operation. The valve body and trim will be designed using SS316H, consistent with Flowserve Corporation’s existing product base and is code qualified but will utilize clad material for materials corrosion, manufacturing cost reduction and compatibility to ensure design flexibility. A test campaign was performed in this investigation utilizing a novel 750°C ternary chloride (20%NaCl/40%MgCl2/40%KCl by mol. wt. %) molten salt flow loop. A discussion about the design and installation of the valves within this test bed is provided for this investigation. Valve test results from this study assessed Cv curves as well as multiple actuator cycles, under varying thermodynamic and operational mode conditions, which would be characteristic within a commercial molten salt facility. The results indicate nominal operation for the baseline design, though improved performance and reliability is expected with the full designed FCV.

Armijo, Kenneth (ORCID:0000000346832147)↗
DOE OSTI2020

PILOT PLANT EVALUATIONS OF RARE EARTH ELEMENT RECOVERY AND CONCENTRATION FROM PRE-COMBUSTION BITUMINOUS COAL SOURCES

Rare earths and other critical elements are commonly associated with coal-based sources and sometimes at concentrations that may be attractive for recovery as a byproduct of coal production. The results obtained from laboratory research performed during the past five years have led to the design, construction and testing of a pilot plant that recovered rare earth elements from several bituminous coal-based materials including coarse refuse as well as solutions from a small heap leach and acid mine drainage. From this initial design, rare earth oxide (REO) concentrates having a purity greater than 90% have been produced using solvent extraction as the primary means of concentration. Following cost reduction and process intensification efforts, the circuit was revised to include feed calcination and several selective precipitation stages as a substitute for the original direct leach-solvent extraction circuit. Pilot test results revealed that the modified circuit was ideal for treating the relatively low-grade feedstocks and provided similar final REO purities at a significantly lower cost. This communication will present the flowsheets evaluated in the pilot plant along with technical and economic analyses for each circuit.

Coal↗
DOE OSTI2020

NISQ+: Boosting quantum computing power by approximating quantum error correction

Quantum computers are growing in size, and design decisions are being made now that attempt to squeeze more computation out of these machines. In this spirit, we design a method to boost the computational power of near-term quantum computers by adapting protocols used in quantum error correction to implement "Approximate Quantum Error Correction (AQEC)." By approximating fully-fledged error correction mechanisms, we can increase the compute volume (qubits × gates, or "Simple Quantum Volume (SQV)") of near-term machines. The crux of our design is a fast hardware decoder that can approximately decode detected error syndromes rapidly. Specifically, we demonstrate a proof-of-concept that approximate error decoding can be accomplished online in near-term quantum systems by designing and implementing a novel algorithm in Single-Flux Quantum (SFQ) superconducting logic technology. This avoids a critical decoding backlog, hidden in all offline decoding schemes, that leads to idle time exponential in the number of T gates in a program. Our design utilizes one SFQ processing module per physical qubit. Employing state-of-the-art SFQ synthesis tools, we show that the circuit area, power, and latency are within the constraints of contemporary quantum system designs. Under pure dephasing error models, the proposed accelerator and AQEC solution is able to expand SQV by factors between 3,402 and 11,163 on expected near-term machines. The decoder achieves a 5% accuracy-threshold and pseudo-thresholds of ~ 5%,4.75%,4.5%, and 3.5% physical error-rates for code distances 3,5,7, and 9. Decoding solutions are achieved in a maximum of ~20 nanoseconds on the largest code distances studied. By avoiding the exponential idle time in offline decoders, we achieve a 10x reduction in required code distances to achieve the same logical performance as alternative designs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

The Center for Performance and Design of Nuclear Waste Forms and Containers (WastePD) Energy Frontier Research Center (Final Report)

The DOE Office of Environmental Management is responsible for high level nuclear waste that must be safely isolated from humans and the environment for extremely long periods. The waste forms and containers are made of glass, ceramics, and metals. Verified safe disposal requires understanding the fundamental mechanisms of waste form degradation and the design of new waste forms with improved performance, which comprise the goals of the Energy Frontier Research Center known as the Center for the Performance and Design of Nuclear Waste Forms and Containers, WastePD. WastePD was constructed to develop innovative approaches and solutions to those goals through the synergistic interactions of individuals who are experts in the degradation behavior, modeling, and design of glasses, ceramics and metal alloys. WastePD is the first center ever created to address this diverse group of materials in a comprehensive and coordinated manner. The science goals are grouped into three common topics: corrosion mechanisms via advanced characterization, environmental impacts, and materials design. Synergistic interactions in these areas were a key component of WastePD. The fundamental understanding of the degradation mechanisms of the waste forms and containers as well as the development of new materials with improved properties will allow DOE to prevent environmental contamination and to explore totally new repository concepts. WastePD was operational from August 2016 through July 2022, but the DOE support was drastically reduced for the last two years. This final technical report covers the full period of performance. However, much of what was accomplished in the first four years is nicely summarized in a review paper published in 2021, which is appended to this report. Therefore, this final report focuses on the technical findings from the last two years of WastePD activities. Considerable progress was made in the areas of a) the environmental and compositional impacts on the corrosion of borosilicate and aluminosilicate glasses, b) the mechanism of glass corrosion and the structure and evolution of the surface alteration layer, c) the effects of environment and composition on the corrosion of pyrochlore, perovskite, hollandite, and other oxide ceramics, d) the corrosion mechanism of multi-principal element metallic alloys, and e) a new framework for understanding the pitting corrosion of metals.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Coupled solute effects enable anomalous high-temperature strength and stability in nanotwinned Al alloys

Nanoprecipitates or grain refinement can effectively enhance the mechanical strength of Al alloys, but the room-temperature strengths of precipitation hardened and nanocrystalline Al alloys often fall below 1 GPa. Furthermore, they are largely plagued by precipitous mechanical softening at elevated temperature below 300°C, mostly due to degraded microstructural stability. Here, we report a mechanism of coupled solute effect in nanotwinned Al-Fe-Ti alloys that enables stability of nanograins up to 400°C and an unprecedented high-temperature flow stress of ~ 1.7 GPa at 300°C. The supersaturated Fe solutes in Al act as effective grain refiner, forming superstrong solid solution alloys. More importantly, empirical evidence combined with first principle calculations indicate that the Ti solutes delay the agglomeration of Fe solutes, thereby remarkably extending the temperature window for the stability of nanograins in nanotwinned Al alloys. Finally, this study highlights the opportunity to design ultrastrong and stable nanostructured alloys for potential high temperature applications via a coupled solute effect.

36 MATERIALS SCIENCE↗
DOE OSTI2025

From bench to biofactory: high-throughput technologies and automated workflows to accelerate biomanufacturing

Microbial production of target molecules has advanced significantly in recent years driven by innovations in enzyme engineering, DNA synthesis, and genomic editing. However, to access the massive potential of microbial production, a vast parametric space remains to be investigated to optimize these biobased processes for a robust bioeconomy. Here, we review the current state of the art, some key challenges and possible solutions. We see a critical role of automation, high-throughput technologies, self-driving and cloud labs, and data management to enable Artificial Intelligence/Machine Learning and mechanistic models to overcome the design space challenges and accelerate the development of novel bio-based solutions. Accurate models will expedite the development and scale-up of engineered microbes for a range of final products from many starting materials.

Petzold, Christopher J↗
DOE OSTI2025

High‐Asymmetry Metasurface: A New Solution for Terahertz Resonance via Active Learning‐Augmented Diffusion Model

Terahertz (THz) metamaterials with high‐figure‐of‐merit (high‐FoM) performance resonance are essential for advancing sensors, detectors, and imagers. Conventional designs focus on symmetric or low‐asymmetry geometric structures, leaving high‐asymmetry designs largely unexplored due to the inefficiency of trial‐and‐error‐based rational design. Recent deep learning techniques offer automation and acceleration but are constrained by the need for large datasets inherent to their data‐driven nature. Here, a novel prior knowledge‐guided generative model augmented by a physics‐constrained active learning mechanism to design high‐asymmetry metamaterials. An advanced diffusion model learns features from a small set of classical structures with high‐FoM THz resonance and generates new high‐asymmetry structures. To mitigate the limited number of classical structures, the generated high‐asymmetry structures are actively selected and integrated into the initial training dataset based on their physical characteristics. Experimental results demonstrate the superior resonance performance of the generated high‐asymmetry metamaterials over classical designs, exhibiting improvements exceeding 30% in key resonance metrics. Remarkably, this performance is attained using only 68 classical structures as the initial training dataset, significantly reducing the data requirements for deep learning‐based metamaterial design. The proposed scheme for generating high‐asymmetry structures provides a new effective and efficient solution for high‐FoM resonance, expanding applications in high‐sensitivity THz metadevices.

diffusion model↗
DOE OSTI2020

Designing stellarators using perpendicular permanent magnets

We have developed a fast method to design perpendicular permanent magnets for simplifying stellarator coils based on existing codes. Coil complexity is one of the main challenges for stellarators. To date, only electromagnetic coils have been used to generate 3D fields for stellarators. Permanent magnets provide an alternative way to produce the desired magnetic field for optimized stellarators. In this paper, we revisit the concept of representing surface current using magnetic dipoles and carry out numerical validations. A surface magnetization is proven to be equivalent to the surface current that can be linearly solved by existing coil design codes. An incremental multi-layer method has been developed to obtain a practical solution that is attainable with present permanent magnets. With this method, we can reproduce a half-Tesla NCSX configuration using specially designed neodymium magnets together with simple planar coils. It shows that stellarator coils could be substantially simplified by adopting permanent magnets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

A Comprehensive Approach towards Multi-Objective EMI Filter Design Optimization in High-Frequency SiC-Based Motor Drives

With rapid penetration of high-frequency, highdensity power electronics into the industry, controlling the system generated EMI becomes one of the major design challenges. Designing practical optimized EMI filters require simultaneous consideration of multiple aspects - including electromagnetic couplings, magnetic materials, practical component parasitics and their impacts at high-frequencies, and also the overall manufacturing costs. The multi-dimensional nature of the problem often results in overcompensated designs that hurt the system efficiency and power density. This paper focuses on a comprehensive design platform (developed in MATLAB) towards designing high-density, optimized, highly efficient EMI filters by analyzing the generated noise spectrum and evaluating a vast array of potential solutions before outputting an optimized filter solution. The proposed tool includes database-based component selection, optimal topology selection, multistage filter design, overall optimization for volume, mass, cost and total loss. The proposed filter has been thoroughly evaluated in a PSIM simulation environment emulating the hardware in CRD300DA12EXM3, a 300kW three-phase inverter from Wolfspeed with an RL load representing a motor drive application. Furthermore, a 20kHz switching frequency is chosen and impacts of the motor high-frequency characteristics on the generated EMI noise spectrum of the overall system have been analyzed.

42 ENGINEERING↗
DOE OSTI2023

Modbus RTU for Embedded Cyber Secure Inverter Controller

The Modbus communication protocol is a widely adopted communication standard in industrial control systems. This communication protocol is known for being reliable and straightforward to implement while being versatile in terms of its operating parameters while supporting multiple formats over various hardware infrastructures and architectures. Many intelligent devices such as Programmable Logic Controllers (PLCs), Human-Machine Interfaces (HMIs), Internet-of-Things (IoT), and various Operational Technologies (OT) utilize Modbus for their communication systems. These types of systems must communicate with each other through a standardized and central communication process. To support the integration of these modular systems, a Field-Programmable Gate Array (FPGA) can act as an embedded central routing fabric for this communication to take place. Embedded systems are versatile enough to interface with various devices and systems to accomplish various goals. Additionally, embedded systems require relatively small physical designs to minimize the required resources to facilitate the intended application by providing low-level system access. This minimization of system resources goes hand in hand with reducing the financial cost of a proposed solution or system. As remotely collaborating researchers often use FPGAs to prototype designs that are required to have a method for data transmission among systems, it is imperative to provide a baseline standard for communications among devices and systems. A typical method of implementing the Modbus RTU communication protocol in an embedded environment is using integrated logic architectures within the FPGA called “Intellectual Property (IP) cores.” IP cores can be designed using integrated logic or circuit designs to function as an embedded processor. These IP cores can then perform the required computational actions to support the Modbus RTU communication protocol by utilizing high-level programming languages such as the C programming language. The hardware description language of Very High-Speed Integrated Circuit Hardware Description Language (VHDL) allows for the control of real hardware at the logic gate and signal level. These logic gates and signals can be designed and controlled to perform desired actions based on the system design. Programming an FPGA using VHDL allows an individual to access the lowest abstraction level of the system during FPGA development. This level of abstraction is referred to as the register-transfer level (RTL), which gives access to manipulating values and variables at the register level. This register-level manipulation provides precision over creating the logical circuit within the FPGA, thus minimizing the required code to perform desired operations. The Modbus RTU communication protocol can be implemented within an FPGA using VHDL programming to establish a standardized and embedded serial communication pathway. This implementation provides a standardized communication protocol to streamline research efforts among researchers, thus increasing the efficiency of research efforts. Additionally, this Modbus RTU implementation requires fewer resources when compared to typical communication protocol implementations that utilize an IP core, reducing the hardware requirement for effective research efforts.

communication↗
DOE OSTI2025

DS-TIDE: Harnessing Dynamical Systems for Efficient Time-Independent Differential Equation Solving

Time-Independent Differential Equations (TIDEs) are central to modeling equilibrium behavior across a wide range of scientific and engineering domains, from electrostatics to porous media flow. Conventional numerical solvers offer reliable solutions but incur significant computational costs due to fine-grained discretization and iterative procedures. Machine learning-based approaches address this by replacing iterative solving processes with one-time inference; however, their sophisticated models require extensive training resources that often exceed those of traditional solvers. Consequently, designing a TIDE solver that achieves high accuracy, broad applicability, and exceptional computational efficiency remains a fundamental challenge. In this paper, we propose DS-TIDE, a novel hardware solver that is inspired by, and subsequently leverages, the intrinsic connection between Dynamical Systems (DS) and Differential Equations (DEs) to efficiently and accurately solve TIDEs. DS-TIDE employs a CMOS-compatible DS-based processor, whose physical states evolve under carefully designed DE-driven dynamics and naturally converge to equilibrium -- the solution of the target TIDE -- within ~1µs on a ~1-watt DS-TIDE processor. To enhance expressivity, DS-TIDE incorporates Heterogeneous Dynamics with Temporal Layering (HDTL), which solves TIDEs through a three-stage DS evolution -- conditioning, solving, and decoding -- each governed by specialized dynamics. The entire evolution process is analogous to an infinitely deep neural network temporally unrolled, offering the system the capability of representing complex equations. Furthermore, DS-TIDE is equipped with an on-device DS-DE Auto-Alignment mechanism that dynamically adapts intrinsic hardware dynamics within milliseconds, effectively aligning the system’s dynamics to diverse target DEs. Experimental results across TIDEs from a wide range of scientific and engineering domains demonstrate that DS-TIDE achieves ~10^3× speedup, ~10^5× energy savings, and competitive or superior accuracy compared to state-of-the-art numerical and ML-based solvers.

Liu, Chuan↗
DOE OSTI2024

Layer-by-Layer Organic Solar Cells Enabled by 1,3,4-Selenadiazole-Containing Crystalline Small Molecule with Double-Fibril Network Morphology

A double-fibril network of the photoactive layer morphology is recognized as an ideal structure facilitating exciton diffusion and charge carrier transport for high-performance organic solar cells (OSCs). However, in the layer-by-layer processed OSCs (LbL-OSCs), polymer donors and small molecule acceptors (SMAs) are separately deposited, and it is challenging to realize a fibril network of pure SMAs with the absence of tight interchain entanglement as polymers. Here, in this work, crystalline small molecule donors (SMDs), named TDZ-3TR and SeDZ-3TR, were designed and introduced into the L8-BO acceptor solution, forcing the phase separation and molecular fibrilization. SeDZ-3TR showed higher crystallinity and lower miscibility with L8-BO acceptor than TDZ-3TR, enabling more driving force to favor the phase separation and better molecular fibrilization of L8-BO. On the other hand, two donor polymers of PM6 and D18 with different fibril widths and lengths were put together to optimize the fibril network of the donor layer. The simultaneously optimization of the acceptor and donor layers resulted in a more ideal double-fibril network of the photoactive layer and an impressive power conversion efficiency (PCE) of 19.38 % in LbL-OSCs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High-Fidelity Simulations of Gravity Currents Using a High-Order Finite-Difference Spectral Vanishing Viscosity Approach

This numerical work investigates the potential of a high-order finite-difference spectral vanishing viscosity approach to simulate gravity currents at high Reynolds numbers. The method introduces targeted numerical dissipation at small scales through altering the discretisation of the second derivatives of the viscous terms in the incompressible Navier-Stokes equations to mimic the spectral vanishing viscosity (SVV) operator, originally designed for the regularisation of spectral element method (SEM) solutions of pure advection problems. Using a sixth-order accurate finite-difference scheme, the adoption of the SVV method is straightforward and comes with a negligible additional computational cost. In order to assess the ability of this high-order finite-difference spectral vanishing viscosity approach, we performed large-eddy simulations (LES) of a gravity current in a channelised lock-exchange set-up with our SVV model and with the well-known explicit static and dynamic Smagorinsky sub-grid scale (SGS) models. The obtained data are compared with a direct numerical simulation (DNS) based on more than 800 million mesh nodes, and with experimental measurements. A framework for the energy budget is introduced to investigate the behaviour of the gravity current. First, it is found that the DNS is in good agreement with the experimental data for the evolution of the front location and velocity field as well as for the stirring and mixing inside the gravity current. Secondly, the LES performed with less than 0.4% of the total number of mesh nodes compared to the DNS, can reproduce the main features of the gravity currents, with the SVV model yielding slightly more accurate results. It is also found that the dynamic Smagorinsky model performs better than its static version. For the present study, the static and dynamic Smagorinsky models are 1.8 and 2.5 times more expensive than the SVV model, because the latter does not require the calculation of explicit SGS terms in the Navier-Stokes equations nor spatial filtering operations.

direct numerical simulation↗
DOE OSTI2025

Non-equilibrium simulations of hydraulic permeation: Role of mechanical boundary conditions in dense membranes

Understanding the mechanisms of water transport in reverse osmosis membranes is critical for improving membrane performance and guiding material design. While classical models describe transport as either solution-diffusion (SD)—involving concentration-driven diffusion through a homogeneous medium—or pore-flow (PF)—involving pressure-driven convection through percolated water channels—their applicability to crosslinked polyamide membranes remains debated. Here, using non-equilibrium molecular dynamics simulations, we investigate the impact of mechanical support conditions on pressure-driven water transport in polyamide membranes across varying crosslink densities and pressure differentials (1000–5000 bar). Two support conditions are considered: graphene-restrained, representing experimentally relevant supported membranes, and freeze-restrained, mimicking a self-supported structure. In graphene-restrained systems, water concentration gradients and constant pressure profiles emerge, consistent with SD theory and incompatible with PF assumptions due to the absence of percolated pores and sub-nanometer voids. In contrast, freeze-restrained systems display uniform water concentration and linearly decreasing pressure at 1000 bar, and exhibit compressibility-induced water gradients and partial percolation at 5000 bar, resembling PF-like behavior. However, the underlying assumptions of PF theory—continuous solvent pathways and pressure transmission through water-filled pores—are not met under most conditions. Our results demonstrate that accurate modeling of reverse osmosis membranes must incorporate realistic mechanical boundary conditions to distinguish between transport mechanisms. For dense polyamide membranes supported by porous substrates, graphene-restrained simulations best reflect experimental setups and support the SD model as the dominant mechanism of water permeation.

molecular dynamics↗
DOE OSTI2023

The large-area hybrid-optics CLAS12 RICH: First years of data-taking

The CLAS12 deep-inelastic scattering experiment at the upgraded 12 GeV continuous electron beam accelerator facility of Jefferson Lab conjugates luminosity and wide acceptance to study the 3D nucleon structure in the yet poorly explored valence region, and to perform precision measurements in hadron spectroscopy. A large area ring-imaging Cherenkov detector has been designed to achieve the required hadron identification in the momentum range from 3 GeV/c to 8 GeV/c, with the kaon rate about one order of magnitude lower than the rate of pions and protons. The adopted solution comprises aerogel radiator and composite mirrors in a novel hybrid optics design, where either direct or reflected light could be imaged in a high-packed and high-segmented photon detector. The first RICH module was assembled during the second half of 2017 and installed at the beginning of January 2018, in time for the start of the experiment. The second RICH module, planned with the goal to be ready for the beginning of the operation with polarized targets, has been timely built despite the complications caused by the pandemic crisis and successfully installed in June 2022. Finally, the detector performance is here discussed with emphasis on the operation and stability during the data-taking, calibration and alignment procedures, reconstruction and pattern recognition algorithms, and particle identification.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Impacts and emerging research opportunities in Vehicle-Grid Integration for transportation: A review

This review provides a comprehensive examination of Vehicle-Grid Integration (VGI) technologies and their impacts on transportation systems, with a particular emphasis on the transportation-energy nexus. It systematically explores how VGI affects key transportation applications such as charging infrastructure planning, electric vehicle (EV) routing, smart charging coordination, shared mobility, and dynamic pricing. By synthesizing recent literature from both transportation and energy systems perspectives, this study highlights how advanced methodologies, such as reinforcement learning, game theory, and optimization techniques, are used to model the complex interactions between EVs, mobility patterns, and distributed energy systems. Furthermore, the review also identifies critical challenges, including behavioral factors, data limitations, and system scalability. Drawing on these insights, the paper outlines emerging research opportunities to support the design of integrated, resilient, and user-centric VGI solutions that advance sustainable mobility and energy system efficiency.

Charging coordination↗
DOE OSTI2025

The dual-electron cyclotron emission based measurement of 3D structures on DIII-D tokamak

The measurements of the locked mode and other 3D magnetohydrodynamic modes are essential for real-time control of plasma stability in future fusion reactors. Current magnetic measurements present non-negligible challenges for the application on fusion pilot plants (FPPs) due to neutron radiation and pose challenging design issues. In this paper, we discuss an alternative solution with microwave-based measurements. The dual-electron cyclotron emission (ECE) method has been developed and applied on DIII-D. The dual-ECE measurement method demonstrates clear identification of magnetic islands compared to single ECE, which is highly beneficial for locked mode feedback control on the FPPs. Toroidally separated ECE measurements provide accurate three-dimensional structure of magnetic islands and tearing modes. This technique also offers deeper physical insights into the penetration of resonant magnetic perturbations. Numerical calculations indicate that small locked modes (magnetic island width > 2 cm) can be detected using the dual-ECE measurement method in ITER plasma. This will enhance measurement capabilities for the safe operation of FPP plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Normality of I-V Measurements Using ML

There is an increased interest in instrument-computing ecosystems (ICEs) that support science workflows empowered by AI-automated experiments and computations in diverse areas. In particular, electrochemistry ICEs are promising for accelerating the design and discovery of electrochemical systems for energy storage and conversion, by automating significant parts of workflows that combine synthesis and characterization experiments with computations. They require the integration of flow controllers, solvent containers, pumps, fraction collectors, and potentiostats, all connected to an electrochemical cell, as illustrated in Fig. 1. These are specialized instruments with custom software that is not originally designed for network integration. We developed network and software solutions for electrochemical workflows that adapt system and instrument settings in real-time for multiple rounds of experiments. In particular, we developed Python wrappers for Application Programming Interfaces (APIs) of instrument commands and Pyro client-server modules that enable them to be executed from remote computers. The entire workflow is orchestrated by a Jupyter notebook running on a remote computer.

Al Najjar, Anees↗