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DOE OSTI2024

Integrated Turbine Component Cooling Designs Facilitated by Additive Manufacturing and Optimization

This research program involved the development of improved gas turbine cooling by optimizing the combined internal and film cooling configurations used for turbine blades and vanes. Improved cooling of turbine airfoils allows the gas turbines to be operated at higher temperatures which improves efficiency for gas turbine-based power generation. This also facilitates operation with hydrogen-based fuels which inherently generate higher operating temperatures. Designs of the new cooling configurations were based on the added geometric flexibility that is available when using metal additive manufacturing techniques. When making these designs, adjustments were made to account for imperfections occurring in the metal additive manufacturing process. New designs for film cooling holes were developed using computational adjoint gradient optimization techniques which generated a unique film cooling hole with 70% greater film cooling effectiveness compared to conventional shaped film cooling holes. A major factor in improving the film cooling effectiveness were small external protrusions on either side of the new hole which generated vortices that pushed coolant towards the surface and increased the lateral spreading of the coolant. Our studies also included optimization of film cooling holes that can be built with conventional manufacturing techniques and optimizing the internal coolant channels that supply coolant to the film cooling holes. Various internal coolant channel shapes were investigated and designs that maximized the cooling of the airfoil while minimizing pressure losses in the channel flows were identified. Testing and verification of the performance of the final configurations was done with a transonic wind tunnel facility which allowed testing at engine realistic high velocities. Final testing of the combined internal and film cooling configurations was done by incorporating the configurations in Penn State’s National Experimental Turbine (NExT) vane. These tests confirmed the enhanced overall cooling effectiveness provided by the new cooling configuration designs.

03 NATURAL GAS↗

DOE OSTI2021

Performance Testing and Assessment of Protection Scheme Using Real-Time Hardware-in-the-Loop and IEC 61850 Standard

The main challenge of the microgrid is to design a suitable protection scheme due to the complexity of the architecture of the microgrid. The importance of the proposed protection technique is threefold. First, it presents a co-simulation platform to integrate between a simulated model on power system computer aided design (PSCAD)/real time digital simulator computer aided design (RSCAD) software’s and physical devices schweitzer engineering laboratories (SEL) 421-7 relays to protect the microgrid that includes different resources connected based on inverter interface. Second, it presents a comprehensive hardware/software setup to test the protective relays in a closed loop system and shows how to configure the protective relay’s International Electrotechnical Commission 61850 communications. Third, IEEE 1588 standard is used to provide sub nanoseconds latency between the simulated model that emulated on real time digital simulator (RTDS) and the external devices. Also, the measurement signals are synchronized between RTDS and the external devices using giga-transceiver synchronization card (GTSYNC) interface card and SEL-2488 satellite-synchronized network clock. The results showed that the co-simulation infrastructure introduces a highly dependable design, analysis, and testing environment for cyber and physical data flow in the system. Besides that, the voltages at ac/dc sides and frequency at fault condition were maintained due to the energy storage device contributions at different modes of operation.

42 ENGINEERING↗

DOE OSTI2020

Corrosion of Al 2 O 3 /Cr and Ti 2 O 3 /Cr composites in flowing air and CO 2 at 750°C

Hot-pressed Al 2 O 3 /Cr and Ti 2 O 3 /Cr composites were exposed to synthetic air or CO 2 at 750 °C. The Al 2 O 3 /Cr composites formed external Cr 2 O 3 scales, and exhibited slow parabolic oxidation kinetics, in both gases. The Cr 2 O 3 scales formed in CO 2 possessed finer grains, and thickened at a faster rate, than Cr 2 O 3 scales formed in air. The Ti 2 O 3 /Cr composites formed thick external TiO 2 scales with internal oxidation zones that also contained Cr 2 O 3 scales on subsurface Cr grains. After 20 h at 750 °C, the Ti 2 O 3 /Cr composites exhibited parabolic oxidation kinetics in both gases, although the oxidation rates were significantly higher than for the Al 2 O 3 /Cr composites.

36 MATERIALS SCIENCE↗

DOE OSTI2025

The Observed and Projected Changes of Global Monsoons: Current Status and Future Perspectives

The global monsoon system, encompassing the Asian-Australian, African, and American monsoons, sustains two-thirds of the world’s population by regulating water resources and agriculture. Monsoon anomalies pose severe risks, including floods and droughts. Recent research associated with the implementation of the Global Monsoons Model Intercomparison Project under the umbrella of CMIP6 has advanced our understanding of its historical variability and driving mechanisms. Observational data reveal a 20th-century shift: increased rainfall pre-1950s, followed by aridification and partial recovery post-1980s, driven by both internal variability (e.g., Atlantic Multidecadal Oscillation) and external forcings (greenhouse gases, aerosols), while ENSO drives interannual variability through ocean-atmosphere interactions. Future projections under greenhouse forcing suggest long-term monsoon intensification, though regional disparities and model uncertainties persist. Models indicate robust trends but struggle to quantify extremes, where thermodynamic effects (warming-induced moisture rise) uniformly boost heavy rainfall, while dynamical shifts (circulation changes) create spatial heterogeneity. Volcanic eruptions and proposed solar radiation modification (SRM) further complicate predictions: tropical eruptions suppress monsoons, whereas high-latitude events alter cross-equatorial flows, highlighting unresolved feedbacks. The emergent constraint approach is booming in terms of correcting future projections and reducing uncertainty with respect to the global monsoons. Critical challenges remain. Model biases and sparse 20th-century observational data hinder accurate attribution. The interplay between natural variability and anthropogenic forcings, along with nonlinear extreme precipitation risks under warming, demands deeper mechanistic insights. Additionally, SRM’s regional impacts and hemispheric monsoon interactions require systematic evaluation. Addressing these gaps necessitates enhanced observational networks, refined climate models, and interdisciplinary efforts to disentangle multiscale drivers, ultimately improving resilience strategies for monsoon-dependent regions.

climate extreme events↗

DOE OSTI2020

MSTAR2019 Code Description and User's Manual

This report describes an ideal cascade model of uranium enrichment that includes side feed and side product streams and flexible input options. It is based on the original MSTAR model developed by Ed Von Halle and implemented in a Visual Basic code. The current version allows the user to specify integer numbers of stages or the stage numbers of external flows instead of assays in those flows. The computational engine is written in FORTRAN-90 and is invoked by a user-friendly GUI written in C++. This version of MSTAR has been demonstrated to operate on Linux, Mac, and Windows platforms, and has undergone significant testing and quality analysis. A number of examples are presented to illustrate the operation of the code and guide the user. The code is extremely fast, and results are returned immediately. The input and output have been specially configured for analysis by the environmental sampling team of the International Atomic Energy Agency (IAEA). A number of additional output features are included to assist the user in visualizing computational results and downloading data to files for use in other analysis software.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

Fragile-to-strong transition in liquid As 2 S 3 under pressure: The effect of melt metallization

The well-known classification of glass-forming melts into fragile and strong liquids has several notable exceptions, including water, silica, and certain phase-change materials (PCMs). These exceptional fluid systems exhibit a fragile-to-strong transition (FST) upon cooling: a transformation from a high-temperature liquid with fast atomic dynamics, low viscosity, and low flow activation energy, to a viscous supercooled melt with high energy barriers near the glass transition temperature T g . This behavior is critically important for non-volatile memories, photonic tensor cores, reconfigurable metamaterials, and other devices, that use PCMs, enabling nanosecond-scale crystallization in the fragile regime and long data retention in the strong regime near or below T g . A significant structural transformation is expected between these two viscosity regimes, along with a semiconductor-metal (SC-M) transition upon heating, driven by high internal pressure and associated density increase. By applying high external pressure to the canonical low-conducting chalcogenide melt As 2 S 3 , we observed both the FST and the SC-M transition, occurring simultaneously within the same domain of the P, T−phase space. These findings suggest that the FST is not limited to a few exceptional liquids but is a common phenomenon, at least in systems that exhibit melt metallization within specific regions of their P, T−phase diagrams.

first-principles molecular dynamics↗

DOE OSTI2022

Experimental Investigation of the Heat Transfer between Finned Tubes and a Bubbling Fluidized Bed with Horizontal Sand Mass Flow

The sandTES technology utilizes a fluidized bed counter current heat exchanger for thermal energy storage applications. Its main feature is an imposed horizontal flow of sand (SiO2) particles fluidized by a vertical air flow across a heat exchanger consisting of several horizontal rows of tubes. Past international research on heat transfer in dense fluidized beds has focused on stationary (stirred tank) systems, and there is little to no information available on the impact of longitudinal or helical fins. Previous pilot plant scale experiments at TU Wien led to the conclusion that the currently available correlations for predicting the heat transfer coefficient between the tube surface and the surrounding fluidized bed are insufficient for the horizontal sand flow imposed by the sandTES technology. Therefore, several smaller test rigs were designed in this study to investigate the influence of different tube arrangements and flow conditions on the external convective heat transfer coefficient and possible improvements by using finned tubes. It could be shown that helically finned tubes in a transversal arrangement, where the horizontal sand flow is perpendicular to the tube axes, allows an increase in the heat transfer coefficient per tube length (i.e., the virtual heat transfer coefficient) by a factor of 3.5 to about 1250 W/m2K at ambient temperature. Based on the literature, this heat transfer coefficient is expected to increase at higher temperatures. The new design criteria allow the design of compact, low-cost heat exchangers for thermal energy storage applications, in particular electro-thermal energy storage.

25 ENERGY STORAGE↗

DOE OSTI2020

Review of heat transfer enhancement techniques for single phase flows

The thermal energy exchange between a flowing fluid and its confining channel is a ubiquitous process in modern society. To enhance the fluid-to-wall or wall-to-fluid heat transfer, several techniques have been developed to maximize the contact area between the fluid and the inner wall and/or disrupt the flow to enhance circulation or induce turbulence. Deployment of channels having features capable of enhancing heat transfer enables the reduction of heat exchanger size while maintaining performance. Reduction in equipment size is critical due to the ability to minimize the required volume of costly working fluids and to mitigate potential safety concerns associated with total system fluid volume. Here, a comprehensive review of single-phase heat transfer enhancement techniques is presented. The article provides a thorough comparison by analyzing the heat transfer rate, pressure drop, and other operational aspects. Single-phase heat transfer enhancement methods are divided into active and passive techniques. Active methods such as electrohydrodynamic (EHD), magnetohydrodynamics (MHD), or mechanical motion require external power to create enhancement. Passive methods such as dimples, fins, or tape inserts do not require external input and rely only on surface modification. Although active methods are more expensive and difficult to implement compared to passive techniques, it enables active control of heat transfer augmentation. Finally, this review develops and summarizes key learning data for design optimization enabled by additive manufacturing and machine learning algorithms, helping to inform these next-generation heat exchanger design methodologies for a plethora of modern applications such as electrification of vehicles, computing, and classical industries.

42 ENGINEERING↗

DOE OSTI2019

A visco-plastic framework for interface processes in sedimentary reservoir rocks at HPHT conditions

As energy operations face the challenge of reservoirs at ever-increasing depths, modelling the response of reservoir rocks at high pressure and high temperature (HPHT) conditions is a crucial step for successfully unlocking new resources. At these conditions, rocks can experience thermal and pressure sensitivity, as well as admit internal phase changes at the pore-solid interfaces that determine their macroscopic response to external loading. It is therefore expected that constitutive laws of Geomechanics should be enriched to accommodate such effects. In this work, a multi-physics constitutive theory for sedimentary rocks is proposed within the general framework of viscoplasticity. The viscosity of the material is assumed to be a function of the temperature, pore-pressure and energy required to alter the inter-granular interfaces. This energy is expressed through the chemical potentials of the phases involved during processes like chemical dissolution/precipitation of the interfaces or mechanical debonding. The resulting flow law and corresponding stress equilibrium are coupled to the energy and mass conservation laws, constituting a closed system of equations, which is solved using the Finite Element simulator REDBACK. A series of numerical tests for performance and calibration is then successfully performed against different types of reservoir rocks, confining pressures and temperatures (from room temperature to over 800K). Here, we show that the mechanical response of sedimentary porous rocks at strains usually achieved in laboratory testing can be explained by accounting for the interface processes taking place at the cementitious material bonding the grains, a process that can also determine the brittle-to-ductile transition of sedimentary rocks.

58 GEOSCIENCES↗

DOE OSTI2020

Method of construction for internally cooled diaphragms for centrifugal compressor

An internally-cooled compressor is provided including a casing and a diaphragm disposed in the casing. The diaphragm includes a diaphragm box defining a plurality of box channels and a bulb defining a plurality of bulb channels. A plurality of return channel vanes connect the diaphragm box and bulb in fluid communication, such that each return channel vane defines a plurality of return vane conduits coupled in fluid communication with the plurality of box channels and the plurality of bulb channels thereby forming a section of a cooling pathway. The cooling pathway is configured such that a cooling agent introduced from an external coolant source into the diaphragm box and flowing through a box channel flows through a return vane conduit into and through a bulb channel and back through another return vane conduit into another box channel before flowing back to the external coolant source.

42 ENGINEERING↗

DOE OSTI2024

First Sagittarius A* Event Horizon Telescope Results. VIII. Physical Interpretation of the Polarized Ring

Abstract In a companion paper, we present the first spatially resolved polarized image of Sagittarius A* on event horizon scales, captured using the Event Horizon Telescope, a global very long baseline interferometric array operating at a wavelength of 1.3 mm. Here we interpret this image using both simple analytic models and numerical general relativistic magnetohydrodynamic (GRMHD) simulations. The large spatially resolved linear polarization fraction (24%–28%, peaking at ∼40%) is the most stringent constraint on parameter space, disfavoring models that are too Faraday depolarized. Similar to our studies of M87*, polarimetric constraints reinforce a preference for GRMHD models with dynamically important magnetic fields. Although the spiral morphology of the polarization pattern is known to constrain the spin and inclination angle, the time-variable rotation measure (RM) of Sgr A* (equivalent to ≈46° ± 12° rotation at 228 GHz) limits its present utility as a constraint. If we attribute the RM to internal Faraday rotation, then the motion of accreting material is inferred to be counterclockwise, contrary to inferences based on historical polarized flares, and no model satisfies all polarimetric and total intensity constraints. On the other hand, if we attribute the mean RM to an external Faraday screen, then the motion of accreting material is inferred to be clockwise, and one model passes all applied total intensity and polarimetric constraints: a model with strong magnetic fields, a spin parameter of 0.94, and an inclination of 150°. We discuss how future 345 GHz and dynamical imaging will mitigate our present uncertainties and provide additional constraints on the black hole and its accretion flow.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Numerical and Analytical Modeling of Flow Partitioning in Partially Saturated Fracture Networks

Infiltration processes in fractured-porous media remain a crucial, yet not very well understood component of recharge and vulnerability assessment. Under partially-saturated conditions flows in fractures, percolating fracture networks, and fault zones contribute to the fastest spectrum of infiltration velocities via preferential pathways. Specifically, the partitioning dynamics at fracture intersections determine the magnitude of flow fragmentation into vertical and horizontal components and hence the bulk flow velocity and dispersion of fracture networks. In this work, we derive an approximate analytical solution for the partitioning process and validate it using smoothed particle hydrodynamics simulations. The developed transfer function is conceptually based on simulation results and laboratory experiments carried out in previous works. It allows to efficiently simulate flow through fracture networks with simple cubic structure and arbitrary number of fractures and aperture sizes via linear response theory and convolution of a given input signal. We derive a non-dimensional bulk flow velocity ($\widetilde{v}$) and dispersion coefficient ($\widetilde{D}$) to characterize fracture networks in terms of dimensionless horizontal and vertical time scales $\tau_m$ and $\tau_0$. The dispersion coefficient is shown to strongly depend on the horizontal time scale and converges towards a constant value of $0.08$ within reasonable fluid and geometrical parameter ranges, while the non-dimensional velocity exhibits a characteristic $\widetilde{v} \sim \tau_m^{-1/2}$ scaling. Given that hydraulic information is often only available at limited places within (fractured-porous) aquifer system, such as boreholes or springs, our study intends to provide a rudimentary analytical concept to potentially reconstruct internal fracture network geometries from external boundary information, e.g., the dispersive properties of discharge (groundwater level fluctuations).

42 ENGINEERING↗

DOE OSTI2026

A New 1D Model for Thermal Mixing and Stratification in Advanced Reactor Transients

Thermal mixing and stratification in large pools and enclosures play a critical role in the safety and performance of pool-type nuclear reactors, particularly during transient scenarios involving significant temperature differences between incoming and bulk coolant. Accurate modeling of these phenomena is essential for predicting system behavior and supporting passive safety features such as natural circulation. Here, this paper presents a new 1D model for thermal mixing and stratification, developed and implemented in the SAM code. The model represents a large pool as 1D coolant jet channels and zero-dimensional bulk pool volumes, enabling the simulation of a wide range of flow configurations, including hot and cold jet interactions, stratified layers, and the influence of complex geometries such as ceilings, free surfaces, and internal obstacles. Heat exchange between jet and pool regions is governed by closure relations calibrated against 3D computational fluid dynamics (CFD) simulations. The model improves upon earlier approaches by incorporating time-dependent jet characteristics and capturing the associated delay effects more accurately. Code-to-code comparisons and validation against experimental data from the Thermal Stratification Test Facility demonstrate the model’s accuracy and flexibility. This work offers two key contributions: (1) an efficient and robust method for simulating thermal mixing and stratification at the system level, eliminating the need for external coupling between system analysis codes and CFD, and (2) a significant enhancement of SAM’s capabilities to analyze thermal stratification phenomena in advanced reactor systems.

SAM↗

DOE OSTI2024

Porous Iron Electrodes Reduce Energy Consumption During Electrocoagulation of a Virus Surrogate: Insights into Performance Enhancements Using Three-Dimensional Neutron Computed Tomography

Electrocoagulation has attracted significant attention as an alternative to conventional chemical coagulation because it is capable of removing a wide range of contaminants and has several potential advantages. In contrast to most electrocoagulation research that has been performed with nonporous electrodes, in this study, we demonstrate energy-efficient iron electrocoagulation using porous electrodes. In batch operation, investigation of the external pore structures through optical microscopy suggested that a low porosity electrode with sparse connection between pores may lead to mechanical failure of the pore network during electrolysis, whereas a high porosity electrode is vulnerable to pore clogging. Electrodes with intermediate porosity, instead, only suffered a moderate surface deposition, leading to electrical energy savings of 21% and 36% in terms of electrocoagulant delivery and unit log virus reduction, respectively. Neutron computed tomography revealed the critical role of electrode porosity in utilizing the electrode’s internal surface for electrodissolution and effective delivery of electrocoagulant to the bulk. Energy savings of up to 88% in short-term operation were obtained with porous electrodes in a continuous flow-through system. Further investigation on the impact of current density and porosity in long-term operation is desired as well as the capital cost of porous electrodes.

42 ENGINEERING↗

DOE OSTI2024

Modeling Microwave-Enhanced Chemical Vapor Infiltration Process for Preventing Premature Pore Closure

The chemical vapor infiltration (CVI) process involves infiltrating a porous preform with reacting gases that undergo chemical transformation at high temperatures to deposit the ceramic phase within the pores, ultimately leading to a dense composite. The conventional CVI process in composite manufacturing needs to follow an isothermal approach to minimize temperature differences between the external and internal surfaces of the preform, ensuring that reactive gases infiltrate internal pores before external surfaces seal. Here, this study addresses the challenge of premature pore closure in CVI processes through microwave heating. A frequency-domain microwave solver is developed in OpenFOAM to investigate volumetric heating mechanisms within the preform. Through numerical studies, we demonstrate the capability of microwave heating of creating an inside-out temperature inversion. This inversion accelerates reactions proximal to the preform center, effectively mitigating the risk of premature external pore closure and ensuring uniform densification. The results reveal a significant enhancement in temperature inversion when high-permittivity reflectors are incorporated to generate resonant waves. This microwave heating strategy is then coupled with high-fidelity direct numerical simulation (DNS) of reacting flow, enabling the analysis of resulting densification processes. The DNS includes detailed chemistry and realistic diffusion coefficients. The numerical results can be used to estimate the impact of microwave-induced temperature inversion on densification in productions.

42 ENGINEERING↗

DOE OSTI2024

Modeling Microwave-Enhanced Chemical Vapor Infiltration Process for Preventing Premature Pore Closure

The chemical vapor infiltration (CVI) process involves infiltrating a porous preform with reacting gases that undergo chemical transformation at high temperatures to deposit the ceramic phase within the pores, ultimately leading to a dense composite. The conventional CVI process in composite manufacturing needs to follow an isothermal approach to minimize temperature differences between the external and internal surfaces of the preform, ensuring that reactive gases infiltrate internal pores before external surfaces seal. This study addresses the challenge of premature pore closure in CVI processes through microwave heating. A frequency-domain microwave solver is developed in Open-FOAM to investigate volumetric heating mechanisms within the preform. Through numerical studies, we demonstrate the capability of microwave heating of creating an inside-out temperature inversion. This inversion accelerates reactions proximal to the preform center, effectively mitigating the risk of premature external pore closure and ensuring uniform densification. The results reveal a significant enhancement in temperature inversion when high-permittivity reflectors are incorporated to generate resonant waves. This microwave heating strategy is then coupled with high-fidelity direct numerical simulation (DNS) of reacting flow, enabling the analysis of resulting densification processes. The DNS simulation includes detailed chemistry and realistic diffusion coefficients. The numerical results can be used to estimate the impact of microwave-induced temperature inversion on densification in productions.

Ge, Wenjun↗

DOE OSTI2024

Site-specific Design Case Study for Wet Waste Hydrothermal Liquefaction and Biocrude Upgrading to Hydrocarbon Fuels

Hydrothermal liquefaction (HTL) is a thermal process that converts wet biomass to renewable hydrocarbon fuel blendstocks (i.e., renewable naphtha, renewable diesel, and sustainable aviation fuel (SAF)). It can utilize a wide range of pure and blended wet feedstocks, including sewage sludge from water resource recovery facilities (WRRF), food and agriculture wastes, algae, fats, oils and greases (FOG) and blends of dry and wet wastes/feedstocks. Historically, techno-economic analysis (TEA) and annual state of technology (SOT) assessments with standard economic assumptions used by the Bioenergy Technologies Office (BETO) were conducted for the wet waste HTL pathway leveraging experimental data collected from Pacific Northwest National Laboratory’s (PNNL) continuous flow reactor systems. The objective of the SOT assessment has been to guide and track progress of BETO’s HTL research and development (R&D) toward reduced cost and greenhouse gas (GHG) emissions for the pathway. However, gaps exist between BETO’s traditional SOT updates and the needs of key external stakeholders that – if addressed – will accelerate technology adoption. This Business Case Study aims to bridge this gap by providing an updated design, TEA, and LCA based on PNNL’s FY23 R&D with added analyses and information that provide enhanced relevance for stakeholders of the HTL technology. This includes specific siting, regional wet waste resource inventory and transportation cost analyses, fuel market information, sustainable fuel policy impacts, economic metrics of net present value (NPV) and internal rate of return (IRR), greenhouse gas (GHG) emissions analysis, and statistical analysis of cost and technical uncertainties of the HTL plant design. The study focuses on the “Detroit combined statistical area (CSA)” region for siting of a wet waste HTL plant adjacent to the Great Lakes Water Authority (GLWA) facility with guidance from industry participants. Regional resource and siting analyses were conducted to identify feedstock availability, scale, and cost, as well as a beneficial site location. TEA with detailed rigorous capital cost estimation for the specific site application was conducted to evaluate the key economic metrics of most value to industrial partners. These include total capital investment, operating costs, minimum fuel selling price (MFSP) of the biocrude and fuel blendstock, and NPV and internal rate of return IRR with sustainable fuel credits. Life cycle analysis was conducted to evaluate the supply chain greenhouse gas (GHG) emissions for the wet waste HTL process as compared with petroleum derived diesel. This study is also informed by years of R&D and process de-risking learnings and was conducted with a basic engineering HTL plant design and costing that akin to a “first-of-a-kind” plant economics. This differs from our conventional “nth plant ” SOT assessments. Specifically, the HTL process model has been updated with more operationally reliable methods for feed heating and phase separations. Further, we have implemented additional spare equipment for redundancy, a more rigorous installed equipment cost estimation approach, and additional costs associated with feed formatting and delivery, building, piping and site development. An Excel-based cost sheet based on the basic engineering design is also released alongside the report that allows users to conduct customized TEA with their own feed composition and financial assumptions.

09 BIOMASS FUELS↗

DOE OSTI2024

Supporting data for Site-specific Design Case Study for Wet Waste Hydrothermal Liquefaction and Biocrude Upgrading to Hydrocarbon Fuels

Li, Shuyun↗