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At least 1,135 records · Page 63

Progress on Computational Modeling of Water-Based NSTF (FY2021)

This report documents the FY21 progress and achievements made in the computational analyses of the water-based NSTF. Both system-level and high-fidelity Computational Fluid Dynamics (CFD) analyses were performed to gain a complete understanding of the complex flow and heat transfer phenomena in natural convection systems. The progress on the waterbased NSTF experimental testing is summarized in a companion report (ANL-ART-230). As a continuation of progress from previous years, in FY21 the RELAP5 model of the NSTF was first updated to include a representative heated cavity that incorporated convection and conduction means of heat transfer. Two different cavity models were developed, one that models the radiation heat exchange among all surfaces in one enclosure (Cavity Model 1), and another that employs multiple radiation enclosures with each considering the surfaces at one axial level (Cavity Model 2). This updated RELAP5 deck was benchmarked with single-phase test data to tune form loss coefficients of the elbows and tees, along with heat transfer coefficients within the cavity and off the external insulation panels. This tuned model was then found to accurately predict fluid temperatures within 2.5% and both system and riser flow rates within 6% during single-phase, steady-state simulations. For transient simulations, there is a slight over prediction of the flow rate, fluid temperatures, and heater temperatures during the heat-up period, which indicate that the transient heat loss may be underestimated. Following, the capabilities of RELAP5-3D were examined, which feature a conduction enclosure model that is not present in the current version of RELAP5-MOD3.3 used for all previous NSTF simulations. As an initial comparison of the two codes, single-phase simulations were run that used similar input decks. The results indicate that the single-phase flow predicted by the two codes was very similar, however RELAP5-3D appears to predict a higher system flow during the two-phase transient when compared to the flow rates predicted by RELAP5-MOD3.3. Furthermore, RELAP5-3D run did not capture the density wave oscillations or geysering phenomena, which are large oscillation flow instabilities observed in the experimental facility. To further the prediction capabilities for capturing two-phase instabilities, Options 55, 57, 58, 61, which are implemented by default in RELAP5-MOD3.3 but not in RELAP5-3D, were investigated. When enabling Option 61, RELAP5-3D agrees well with MOD3.3 in predicting the total system flow, while other options have negligible effect on the predicted total system flow by RELAP5-3D. However, none of these options enables RELAP5-3D to produce the same flow instabilities. For future steps, efforts are currently underway to investigate RELAP5-3D’s different behavior in predicting low-pressure two-phase instabilities. STAR-CCM+ was used to perform CFD analysis of the water-based test facility and provide simulation results for comparisons to experimental data. Efforts first focused on describing the characteristics of flow within the heated cavity. A study was performed on whether possible leakage flow between the two sides of the cavity could substantially impact and explain the results. An additional second assumption was examined which defined adiabatic side walls, so physical insulation structures were added to the models to allow conduction across this outer insulation. The results suggest that potential porosity of the insulation could be a major factor in the temperature distribution within the cavity and should be considered in any studies where it is desirable to know the cavity wall temperatures to higher accuracy.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Numerical and Experimental Study of an Aircraft Igniter Plasma Jet Discharge

The spark discharge of an aircraft plasma jet igniter is studied using high-fidelity numerical simulations and X-ray radiography measurements. The target problem here features the thermal expansion of hot gas introduced by the electric spark within a confined igniter cavity, which eventually evolves into a pulsed jet of a high-temperature kernel. A comprehensive set of models adapted from existing strategies for internal combustion engine spark plug discharge is extended to the target problem, including the modeling of energy deposition, plasma reactions, thermodynamic properties, and heat losses. A series of validation and parameter studies are performed and presented. The kernel size is found to be sensitive to heat losses arising from radiation and hot gas remained within the discharge cavity, rather than heat conduction to the wall in the discharge cavity. Depending on the enforced shape of the post-breakdown electric arc, the spark kernel can be off-centered, tilted, and considerably asymmetric. These features have been previously not considered when studying such igniter configurations and may have a first-order impact on the ignition process. Provided a proper setup of the heat loss models and electric arc shape, the numerical results are quantitatively comparable to the experimental results in terms of the kernel size, shape, and velocity throughout different stages after the spark discharge.

Tang, Yihao↗

Multi-mode analysis of surface losses in a superconducting microwave resonator in high magnetic fields

This paper reports on a surface impedance measurement of a bulk metal niobium–titanium superconducting radio frequency (SRF) cavity in a magnetic field (up to 10 T). Here, a novel method is employed to decompose the surface resistance contributions of the cylindrical cavity end caps and walls using measurements from multiple TM cavity modes. The results confirm that quality factor degradation of a NbTi SRF cavity in a high magnetic field is primarily from surfaces perpendicular to the field (the cavity end caps), while parallel surface resistances (the walls) remain relatively constant. This result is encouraging for applications needing high Q cavities in strong magnetic fields, such as the Axion Dark Matter eXperiment because it opens the possibility of hybrid SRF cavity construction to replace conventional copper cavities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning

Over the past decade, there has been a growth of interest in polaritonic chemistry, where the formation of hybrid light–matter states (polaritons) can alter the course of photochemical reactions. These hybrid states are created by strong coupling between molecules and photons in resonant optical cavities and can even occur in the absence of light when the molecule is strongly coupled with the electromagnetic fluctuations of the vacuum field. Here, we present a first-principles model to simulate nonadiabatic dynamics of such polaritonic states inside optical cavities by leveraging graphical processing units (GPUs). Our first implementation of this model is specialized for a single molecule coupled to a single-photon mode confined inside the optical cavity but with any number of excited states computed using complete active space configuration interaction (CASCI) and a Jaynes–Cummings-type Hamiltonian. Using this model, we have simulated the excited-state dynamics of a single salicylideneaniline (SA) molecule strongly coupled to a cavity photon with the ab initio multiple spawning (AIMS) method. We demonstrate how the branching ratios of the photodeactivation pathways for this molecule can be manipulated by coupling to the cavity. We also show how one can stop the photoreaction from happening inside of an optical cavity. Finally, we also investigate cavity-based control of the ordering of two excited states (one optically bright and the other optically dark) inside a cavity for a set of molecules, where the dark and bright states are close in energy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Damage evolution in polymer due to exposure to high-pressure hydrogen gas

The use of hydrogen as a fuel is increasing exponentially, and the most economical way to store and transport hydrogen for fuel use is as a high-pressure gas. Polymers are widely used for hydrogen distribution and storage systems because they are chemically inert towards hydrogen. However, when exposed to high-pressure hydrogen, some hydrogen diffuses through polymers and occupies the preexisting cavities inside the material. Upon depressurization, the hydrogen trapped inside polymer cavities can cause blistering or cracking by expanding these cavities. A continuum mechanics--based deformation model was deployed to predict the stress distribution and damage propagation while the polymer undergoes depressurization after high-pressure hydrogen exposure. The effects of cavity size, cavity location, and pressure inside the cavity on damage initiation and evolution inside the polymer were studied. The stress and damage evolution in the presence of multiple cavities was also studied, because interaction among cavities alters the damage and stress field. It was found that all these factors significantly change the stress state in the polymer, resulting in different paths for damage propagation. The effect of adding carbon black filler particles and plasticizer on the damage was also studied. It was found that damage tolerance of the polymer increases drastically with the addition of carbon black fillers, but decreases with the addition of the plasticizer.

Kulkarni, Shank S.↗

A plan to revitalize the domestic superconducting radio-frequency industry

Superconducting radio-frequency (SRF) cavities are essential building blocks of modern particle accelerators for scientific research, and they offer unique capabilities that could be transformative for commercial applications. Growth of the domestic SRF industry in North America has faced several challenges over the past decades, as most of the international demand for cavities was supplied by European vendors. This contribution provides a brief review of the domestic industrial vendor space, an outlook of the global demand for SRF cavities and an outline of the challenges leading to this supply chain deficiency. One of the main challenges towards establishing a robust domestic SRF industry has been the large uncertainty in the demand. Meanwhile, research and development activities to raise technical readiness of SRF accelerators for industrial use have continued and several potential markets are emerging that may offer a consistent and growing demand for SRF cavities. Finally, reasons and means of establishing and sustaining competitive domestic suppliers are described.

Accelerator Physics↗

Optimization of Nb 3 Sn sputtering on SRF structures

Superconducting radiofrequency (SRF) cavities are the key technology to compact, high-efficiency, and cost-effective CW SRF accelerators. Further improvements in the efficiency can be realized by using novel materials such as Nb 3 Sn coated on the inner surface of SRF cavities. The Nb 3 Sn coatings enable cavity operation at 4 K, where the Nb 3 Sn coated cavities are already very efficient and have high intrinsic quality factors. Advances in Nb3Sn coatings on the inner surface of SRF cavities showed the potential for this material to significantly cut the capital and operating costs of SRF accelerators. Several approaches have been and are being investigated for coating SRF cavities with Nb 3 Sn. Magnetron sputtering is a versatile technique in that it has been shown to produce Nb 3 Sn films on flat Nb target in a single phase and a precisely controlled thickness, low defect levels, and a favorable morphology. Deposition of Nb 3 Sn films on SRF cavities have also shown promising RF superconducting properties. However, sputter coating of Nb 3 Sn on SRF cavities requires further development to be used in accelerators.

43 PARTICLE ACCELERATORS↗

Face seal assembly with thermal management circuit and an associated method thereof

A face seal assembly including a thermal fluid circuit, a turbomachine including the face seal assembly and a method of operating the turbomachine are disclosed. The face seal assembly includes a seal ring including a seal bearing face, at least one internal cavity including a cavity inlet and a cavity outlet. The face seal assembly further including a fluid inlet channel in fluid communication with the cavity inlet of the at least one internal cavity and a pressurized fluid and a fluid outlet port in fluid communication with the cavity outlet of the at least one internal cavity. The at least one internal cavity, the fluid inlet channel and the fluid outlet port define a thermal fluid circuit providing thermal management of the seal ring. In the turbomachine, the face seal assembly is disposed between a stationary component and a rotating component including a rotating component bearing face.

Trivedi, Deepak↗

Multi-mode Analysis of Surface Losses in a Superconducting Microwave Resonator in High Magnetic Fields

This paper reports on a surface impedance measurement of a niobium titanium superconducting radio frequency (SRF) cavity in a magnetic field (up to $10\,{\rm T}$). A novel method is employed to decompose the surface resistance contributions of the cylindrical cavity end caps and walls using measurements from multiple $TM$ cavity modes. The results confirm that quality factor degradation of a NbTi SRF cavity in a high magnetic field is primarily from surfaces perpendicular to the field (the cavity end caps), while parallel surface resistances (the walls) remain relatively constant. This result is encouraging for applications needing high Q cavities in strong magnetic fields, such as the Axion Dark Matter eXperiment (ADMX), because it opens the possibility of hybrid SRF cavity construction to replace conventional copper cavities.

43 PARTICLE ACCELERATORS↗

Mode matching method for absorption spectroscopy systems

Systems and methods for controlling optical feedback in an optical system. A resonant optical cavity includes at least two cavity mirrors, one of which is a cavity coupling mirror, and has a plurality of optical resonance cavity modes. A radiation source emits a beam of continuous wave radiation and is capable of being scanned whereby a mean optical frequency of the continuous wave radiation beam is adjustable over a range of frequencies, wherein the radiation source is responsive to optical feedback radiation emerging from the cavity, and wherein the mode matching optics couples the beam of continuous wave radiation to the cavity via the cavity coupling mirror. The radiation source and the mode matching optics are aligned so that a mode fill ratio is reduced relative to a maximum mode fill ratio, wherein the laser beam is coupled with a fundamental cavity mode.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Diverter fittings for cooling systems of an engine

A passive diverter fitting for a cooling system of an engine includes a base defining an interior cavity, an inlet opening extending through the base that is in fluid communication with the interior cavity, an outlet opening that is in fluid communication with the interior cavity, and a bypass opening that is in fluid communication with the interior cavity. The base is configured to be removably disposed in a cavity of an engine block. The inlet opening is positioned to receive coolant when the passive diverter fitting is disposed in the cavity of the engine block. The outlet opening is in fluid communication with the area exterior to the engine block when the passive diverter fitting is disposed in the cavity of the engine block. The bypass opening is in fluid communication with an interior coolant passage of the engine block when the passive diverter fitting is disposed in the cavity of the engine block.

Chen, Allen Yao↗

Pressure equilibrated thermal insulation gap

A thermal structure for management of thermal energy, the thermal structure including: a first wall structure defining a first cavity; a second wall structure defining a second cavity, the second cavity in fluid communication with the first cavity; and a barrier cavity defined at least in-part by the first wall structure and the second wall structure, wherein the barrier cavity is disposed between the first cavity and the second cavity and includes a pressurized barrier fluid therein or is configured to receive the pressurized barrier fluid during operation of the thermal structure.

Erno, Daniel Jason↗

Quantum dynamical effects of vibrational strong coupling in chemical reactivity

Abstract Recent experiments suggest that ground state chemical reactivity can be modified when placing molecular systems inside infrared cavities where molecular vibrations are strongly coupled to electromagnetic radiation. This phenomenon lacks a firm theoretical explanation. Here, we employ an exact quantum dynamics approach to investigate a model of cavity-modified chemical reactions in the condensed phase. The model contains the coupling of the reaction coordinate to a generic solvent, cavity coupling to either the reaction coordinate or a non-reactive mode, and the coupling of the cavity to lossy modes. Thus, many of the most important features needed for realistic modeling of the cavity modification of chemical reactions are included. We find that when a molecule is coupled to an optical cavity it is essential to treat the problem quantum mechanically to obtain a quantitative account of alterations to reactivity. We find sizable and sharp changes in the rate constant that are associated with quantum mechanical state splittings and resonances. The features that emerge from our simulations are closer to those observed in experiments than are previous calculations, even for realistically small values of coupling and cavity loss. This work highlights the importance of a fully quantum treatment of vibrational polariton chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Identifying environmentally induced calibration changes in cryogenic RF axion detector systems using deep neural networks

The axion is a compelling hypothetical particle that could account for the dark matter in our universe while simultaneously solving the strong CP problem in quantum chromodynamics. The most sensitive axion detection technique demonstrated so far makes use of a high Q cavity immersed in a strong magnetic field, where axions are converted to microwave photons. This is called an axion haloscope and has primarily targeted the 1–10 GHz range. As searches scan up in axion mass, toward the parameter space favored by theoretical predictions, individual cavity sizes decrease in order to achieve higher frequencies. This shrinking cavity volume translates directly to a loss in signal-to-noise, motivating the plan to replace individual cavity detectors with arrays of cavities. When the transition from one to (N) multiple cavities occurs, haloscope searches are anticipated to become much more complicated to operate, requiring N times as many measurements but also the new requirement that N detectors operate in unison, which can be achieved by locking them to a common frequency. To offset this anticipated increase in detector complexity, we aim to develop new tools for diagnosing experiments using neural networks. Current experiments monitor scattering parameters of their receiver for periodically measuring cavity quality factor and coupling. However, off-resonant data remain relatively useless. In this paper, we ask if it is possible that off-resonant information contained in vector network analyzer scans could be used to diagnose equipment failures/anomalies and measure physical conditions (e.g., temperatures and ambient magnetic field). We demonstrate a proof-of-concept that AI techniques can help manage the complexity of an axion haloscope search for operators.

Engel, Andrew W. [Pacific Northwest National Labor↗

The nature and origins of decametre-scale porosity in Ordovician carbonate rocks, Halahatang oilfield, Tarim Basin, China

At >7 km depths in the Tarim Basin, hydrocarbon reservoirs in Ordovician rocks of the Yijianfang Formation contain large cavities ( c . 10 m or more), vugs, fractures and porous fault rocks. Although some Yijianfang Formation outcrops contain shallow (formed near surface) palaeokarst features, cores from the Halahatang oilfield lack penetrative palaeokarst evidence. Outcrop palaeokarst cavities and opening-mode fractures are mostly mineral filled but some show evidence of secondary dissolution and fault rocks are locally highly ( c . 30%) porous. Cores contain textural evidence of repeated formation of dissolution cavities and subsequent filling by cement. Calcite isotopic analyses indicate depths between c . 220 and 2000 m. Correlation of core and image logs shows abundant cement-filled vugs associated with decametre-scale fractured zones with open cavities that host hydrocarbons. A Sm–Nd isochron age of 400 ± 37 Ma for fracture-filling fluorite indicates that cavities in core formed and were partially cemented prior to the Carboniferous, predating Permian oil emplacement. Repeated creation and filling of vugs, timing constraints and the association of vugs with large cavities suggest dissolution related to fractures and faults. In the current high-strain-rate regime, corroborated by velocity gradient tensor analysis of global positioning system (GPS) data, rapid horizontal extension could promote connection of porous and/or solution-enlarged fault rock, fractures and cavities. Supplementary material: Stable isotopic analyses and the velocity gradient tensor and principal direction and magnitude calculation are available at https://doi.org/10.6084/m9.figshare.c.4946046 Thematic collection: This article is part of the The Geology of Fractured Reservoirs collection available at: https://www.lyellcollection.org/cc/the-geology-of-fractured-reservoirs

Geology↗

Resonance Control System for the PIP-II IT HWR Cryomodule

The HWR (half-wave-resonator) cryomodule is the first one in the superconducting section of the PIP-II LINAC project at Fermilab. PIP-II IT is a test facility for the project where the injector, warm front-end, and the first two superconducting cryomodules are being tested. The HWR cryomodule comprises 8 cavities operating at a frequency of 162.5 MHz and accelerating beam up to 10 MeV. Resonance control of the cavities is performed with a pneumatically operated slow tuner which compresses the cavity at the beam ports. Helium gas pressure in a bellows mounted to an end wall of the cavity is controlled by two solenoid valves, one on the pressure side and one on the vacuum side. The resonant frequency of the cavity can be controlled in one of two modes. A pressure feedback control loop can hold the cavity tuner pressure at a fixed value for the desired resonant frequency. Alternately, the feedback loop can regulate the cavity tuner pressure to bring the RF detuning error to zero. The resonance controller is integrated into the LLRF control system for the cryomodule. The control system design and performance of the resonance control system are described in this paper.

43 PARTICLE ACCELERATORS↗

Modeling a Nb3Sn Cryounit in GPT at UITF

Nb₃Sn is a prospective material for future superconducting RF (SRF) accelerator cavities. The material can achieve higher quality factors, higher temperature operation and potentially higher accelerating gradients (E_{acc} 96 MV/m) compared to conventional niobium. In this work, we performed modeling of the Upgraded Injector Test Facility (UITF) at Jefferson Lab utilizing newly constructed Nb₃Sn cavities. We studied the effects of the buncher cavity and varied the gun voltages from 200-500 keV. We have calibrated and optimized the SRF cavity gradients and phases for the Nb₃Sn five-cell cavities energy gains with the framework of General Particle Tracer (GPT). Our calculations show the beam goes cleanly through the unit. There is full energy gain out of the second SRF cavity but not from the first SRF cavity due to non-relativistic phase shifts.

Pokharel, S.↗

COMMISSIONING RESULTS OF THIRD C75 CRYOMODULE FOR CEBAF

The program to upgrade CEBAF cryomodules has been implemented to enhance the energy gain of refur-bished cryomodules up to 75 MeV. This strategy in-volves reusing the waveguide end-groups from original CEBAF cavities produced in the 1990s, and existing five elliptical cell cavities are replaced with a new optimized cell shape cavity constructed from large-grain, ingot Nb material. Following fabrication, each cavity undergoes centrifugal barrel polishing and electropolishing and is tested at 2.07 K. Eight cavities are then assembled into "cavity pairs" and tested at 2.07 K before integration into the cryomodule. This paper pre-sents the outcomes of the cavity qualification for the third C75 module, providing a detailed account of the assessment in both a vertical cryostat and the acceptance test results of the cryomodule. Furthermore, efforts have been made to address performance limitations arising from field emission and multipacting

Senevirathne, I.↗