Engineering topics
Publications and source records attributed to Cakmak, Ercan.
This report includes an account of several experiments conducted with optical fibers or optical fiber-based sensors that are candidates for nuclear microreactor (MR) acoustic sensing for structural health monitoring purposes.
This technical report is in submission of completion of the Level 3 milestone number M3AT24OR1101032, titled “Complete Degradation of Be 2 C at conditions expected in molten salt environments,” for the AT-24OR110103 “Beryllium Carbide as moderator for MSRs—ORNL” WBS number 2.04.11.01 within the larger Advanced Reactor Technologies program at Oak Ridge National Laboratory. This effort is an initial study of the viability of Be 2 C as a future neutron moderator for molten salt reactors and other high-temperature reactors. The research was awarded funding in September 2022, and this Level 2 milestone presents the work that completed by the end of July 2023. This work is a collaboration between Oak Ridge National Laboratory and the University of Michigan. This report discusses the status of this effort and planned work before the final reporting.
Oak Ridge National Laboratory and Eck Industries produced and characterized durable and corrosion resistant Al-Ce-Mg alloy-based heat exchanger. Eck Industries successfully casted Al-Ce-Mg heat exchanger. ORNL characterized reaction bonding between Al-2Ce-6Mg alloy and stainless-steel tube in a heat exchanger header. Metallurgical bonds were achieved between stainless steel tubes and Al-Ce-Mg alloy cast headers. ORNL performed corrosion testing on Al-Ce-Mg alloy/stainless steel tube reactive bond interface. In most cases no significant changes to the reactive bond morphology or compositional distribution were observed in the samples after exposure to acid for 267h acid.
• Oak Ridge National Laboratory and Eck Industries produced and characterized durable and corrosion resistant Al-Ce-Mg alloy-based heat exchanger. • Eck Industries successfully casted Al-Ce-Mg heat exchanger. • ORNL characterized reaction bonding between Al-2Ce-6Mg alloy and stainless-steel tube in a heat exchanger header. • Metallurgical bonds were achieved between stainless steel tubes and Al-Ce-Mg alloy cast headers. • ORNL performed corrosion testing on Al-Ce-Mg alloy/stainless steel tube reactive bond interface. • In most cases no significant changes to the reactive bond morphology or compositional distribution were observed in the samples after exposure to acid for 267h acid.
Enhancing the fast charging capacity of thick electrodes with high mass loading is imperative in expediting the widespread adoption of electric vehicles. Nonetheless, the insufficient charge transfer kinetics of thick electrodes hinder the movement of effective electrons and ions, hence diminishing capacity at high current rates. In this work, we applied sustainable and biodegradable cellulose nanocrystals (CNCs) as electrode additives. It is the first time to simultaneously improve the electronic conductivity by optimizing the carbon dispersion and establishing electron transfer networks, as well as boosting the ionic conductivity of electrodes by shortening the ion transfer pathway. Specifically, the LiNi 0.6 Mn 0.2 Co 0.2 O 2 electrodes incorporating 1% dual functional CNCs additive exhibit improved effective electrical conductivity from 0.11 to 0.16 S/m and risen effective ionic conductivity from 0.36 to 0.62 S/m, in comparison to counterpart electrodes without CNCs. Therefore, the 1% CNC electrode with a high mass loading of 27.0 mg/cm 2 delivers a discharge capacity of 128 mAh/g at 1 C, which is superior to that of the CNC-free electrodes (95 mAh/g). In short, this study presents a novel environmentally friendly, economically viable, and dual-functional electrode additive that enhances both electronic and ionic conductivities with the aim of facilitating the widespread adoption of fast-charging high mass loading electrodes.
Mild direct coal liquefaction (autogenous pressure, no catalyst, no H2 gas) of Springfield coal in fluid catalytic cracking decant oil is shown to effectively produce coal extract precursors to spinnable mesophase pitch. Here this work demonstrates that the coal extract can be thermally treated to obtain mesophase pitch in a facile one-step process, bypassing the production of an intermediate isotropic pitch. Furthermore, the presence of 25 wt.% coal in the initial slurry can increase the yield to mesophase pitch nearly twofold and yield to carbon fiber by approximately 70%. The coal extract-derived mesophase pitch was melt-spun and heat treated to produce carbon fiber with graphitic texture, high modulus (>400 GPa) and tensile strength up to 943 MPa. Overall, this work demonstrates that coal can be effectively utilized to markedly amplify the mesophase pitch and carbon fiber yield from fluid catalytic cracking decant oil by relatively simple processing, while conserving utility as a precursor to high performance carbon fiber and potentially other high value graphitic products.
Heat transfer enhancement techniques have been adapted on the shell side to improve the overall performance of the flooded evaporators, such as finned tubes. In recent years, it has been demonstrated that the metal foam structure can offer enhanced heat transfer performance under pool boiling conditions. However, there are not much research in the open literature that examine the feasibility of metal foam embedded tubes in horizontal tube bundle configurations. Therefore, this paper proposed a novel metal foam embedded tube (i.e., foam embedded outside the tube) to improve the heat transfer behavior of flooded evaporators. Further, the experiments were performed on a horizontal tube bundle with a staggered arrangement. Moreover, the performance of low global warming potential (GWP) refrigerants (R-1234yf and R-1234ze(E)) is compared against R-134a for both plain tubes and metal foam tubes with porosities of 81%, 75%, and 62%. The results showed that a metal foam tube with a porosity of 62% showed a maximum heat transfer coefficient (HTC) enhancement of 291% compared to the plain tube. As compared with R-134a, the HTCs of R-1234yf and R-1234ze(E) are nearly 10% higher and 5% lower, respectively.
Chemical structures of candidate coals (one subbituminous coal from the Powder River Basin and three bituminous Eastern US coals) were examined for potential low-cost carbon fiber precursor production. Here, the structural evaluation examined the carbon skeleton ( 13 C nuclear magnetic resonance (NMR) and high-resolution transmission electron microscopy (HRTEM)), the heteroatom functionality (X-ray photoelectron spectroscopy (XPS) Fourier transform infrared spectroscopy (FTIR) and NMR), the structural ordering and distribution of PAH sizes (HRTEM), and an estimation of the molecular weight distribution (laser desorption ionization mass spectrometry, LDIMS). The molecular compositional distributions were also evaluated for a mixed solvent extract (atmospheric pressure photoionization, 21 T Fourier transform ion cyclotron resonance mass spectrometry, FT-ICR MS). Significant structural differences existed between the subbituminous and bituminous coals, as expected with coalification (with the bituminous coals having a higher carbon content, lower oxygen content, higher aromaticity values, larger cluster sizes, and so forth). While the bituminous coals were similar in structure (close in rank with Blue Gem being hvAb and the rest being hvBb), structural differences were still evident. Specifically, structural similarities were evident for the average properties of Herrin and Springfield coals: same rank, similar moisture, and volatile matter yields, along with similar aromaticity and carbon and hydrogen content. However, significant structural differences were observed at the molecular level by 21 T FT-ICR MS, which showed that the Springfield coal was structurally more complex. Specifically, 21740, 16931, 30190, and 12982 unique elemental compositions were identified for the Monarch, Herrin, Springfield, and Blue Gem coals, further illustrating the complexity of the coal.
Planar stack solid-oxide fuel cells (SOFCs) require seals that must operate reliably under demanding conditions for lifetimes of 40000 hours. This includes temperature fluctuations between 800°C and RT during on and off cycles, thermal stresses, oxidizing environments and chemical degradation to name a few. This comprehensive report provides results from long term testing of two commercially available multicomponent barium alkali silicate glasses: SCN and G6, chosen as sealing candidates. In this scope, the glass seals were deposited on YSZ and Al 2 O 3 substrates simulating electrolytes (Zrbased) and coatings (both zirconia and Al 2 O 3 ). The seal-substrate couples were subjected to 800°C under air and steam+H 2 +N 2 environments up to 40000 hours to test their integrity under real operating conditions. Extensive studies on the effects of exposure have been conducted over the span of testing at various time intervals. Within the context of characterization, mechanical properties such as density, roughness, thermal expansion and glass transition, viscosity and wettability behavior; and microstructural properties such as glass chemistries, defect formation (cracks and pores), phase transformations (devitrification) and glass-interface reactions are investigated. Results and discussions are provided with a focus on the degradation of the properties over long term interrupted testing.
The high-temperature motion of hydrogen in near stoichiometric yttrium dihydride (YH x , x = 1.62 and 1.87 at.%) was investigated using incoherent quasi-elastic neutron scattering and Density Functional Theory (DFT) calculations as a function of hydrogen stoichiometry. Translational motion (diffusivity) of hydrogen in yttrium dihydride was only observed in a temperature range of 1073–1173 K under vacuum environment. Here, the hydrogen motion was found to be limited to the tetrahedral sublattice, and diffusivity of hydrogen was observed to increase with decreasing hydrogen stoichiometry. The same behavior was also supported with DFT calculations. The DFT results also indicated that certain migration paths with smaller energy barriers favored H jump resulting in higher diffusivities.
Large-scale atomistic models for complex polycyclic aromatic hydrocarbon systems help understand the chemical properties and behaviors of complex feedstocks such as coal or petroleum. However, the development and utilization of large-scale models remain limited due to the difficulty in achieving the varied structural characteristics necessary to capture stochastic nature of these feedstocks. Here we demonstrate a systematic workflow to construct stochastic molecular systems from a broad analytical suite: high-resolution transmission electron microscopy (HRTEM), carbon-13 nuclear magnetic resonance spectroscopy ( 13 C NMR), laser desorption ionization mass spectroscopy (LDI-MS), and elemental analysis. We present a model construction and analysis utility of a new Python-based module. We selected one subbituminous and three high-volatile bituminous coals to construct large-scale models (~40,000 atoms). The constructed models were utilized to examine the affinity for solvent extraction (naphthalene or tetralin) and the effect of structural properties (e.g., aromatic cluster size, functional groups, and cross-linking) in reactive molecular dynamics simulations. Complex chemical reactions were monitored with bond order transitions, intermediates formation, and mass distributions. Reactive molecular dynamics simulations suggest a plausible chemical extraction process and products for the complex fossil feedstocks. The results indicated that radical formations with bond breaking of bridging oxygens and carbons were required at high temperatures to facilitate hydrogeneration and extraction of gas molecules from radical-free molecules. We observed that aliphatic chains of tetralin were easily decomposed and combined with radicals to form small size of molecules with aryl bonding, mainly increasing molecules in the 500–1000 Da, while naphthalene had little impact on chemical extraction process.
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Abstract While hexagonal boron nitride (hBN) has been widely used as a buffer or encapsulation layer for emerging electronic devices, interest in utilizing it for large‐area chemical barrier coating has somewhat faded. A chemical vapor deposition process is reported here for the conformal growth of hBN on large surfaces of various alloys and steels, regardless of their complex shapes. In contrast to the previously reported very limited protection by hBN against corrosion and oxidation, protection of steels against 10% HCl and oxidation resistance at 850 °C in air is demonstrated. Furthermore, an order of magnitude reduction in the friction coefficient of the hBN coated steels is shown. The growth mechanism is revealed in experiments on thin metal films, where the tunable growth of single‐crystal hBN with a selected number of layers is demonstrated. The key distinction of the process is the use of N 2 gas, which gets activated exclusively on the catalyst's surface and eliminates adverse gas‐phase reactions. This rate‐limiting step allowed independent control of activated nitrogen along with boron coming from a solid source (like elemental boron). Using abundant and benign precursors, this approach can be readily adopted for large‐scale hBN synthesis in applications where cost, production volume, and process safety are essential.
Pool boiling on a tube bundle is one of the most important heat transfer modes in several industrial applications, including steam generators, shell and tube heat exchangers for waste heat recovery, and desalination. Although several enhanced tubes (e.g., external micro-finned tubes) have been extensively studied and commercialized, the studies that pertain to the metal foam enhanced tube bundles are limited in the open literature. The objective of the present study is to perform an experimental study to analyze the pool boiling heat transfer characteristics of a metal foam tube bundle and compare its performance with that of a tube bundle with no enhancement. The performance of the metal foam tube bundles with different porosities (81%, 75%, and 62%) is compared against the conventional bare tube bundle. The results showed that the heat transfer coefficients of the metal foam tube bundles are 100–212% higher than those of the bare tube bundle. Among the different porosities, metal foam with 75% porosity showed a higher heat transfer coefficient. Furthermore, the wall temperature of the metal foam tubes is nearly 5–14⁰C lower than that of the bare tubes. In conclusion, when compared with a tube pitch of 25.4 mm, a tube pitch of 19.05 mm showed a maximum of 9% and 14% enhancement in bare and metal foam tube bundles, respectively.
The role of methyl groups on the liquid–crystal structure of mesophase pitches was investigated by combining experimental characterizations and atomic-scale computational modeling, using three pitches synthesized from different precursors. Of the three pitches, C-9 alkyl benzene and naphthalene-based pitches have 13 and 7 methyl groups per average polyaromatic hydrocarbon, respectively. By contrast, mesophase produced from a coal-tar pitch has about one methyl group. The coal tar–based mesophase pitch is hydrogen deficient or more aromatic compared with C-9 alkyl benzene- and naphthalene-based pitches. Additionally, X-ray diffraction data showed that average coherent domain sizes of C-9 alkyl benzene (3.7 nm) and naphthalene-based (3.6 nm) pitches with more methyl groups are larger than that of coal tar–based mesophase (2.4 nm). Based on the identified features, the influence of the methyl group on the layering structures was investigated via molecular dynamics simulations. The results revealed that methyl groups are critical in mesophase layering in C-9 alkyl benzene- and naphthalene-based pitches, by reducing CH-π interaction. However, similar alignment could be achieved without the same degree of methyl substitutions for the coal tar-based pitch because of stronger π-π interaction than the other precursors. The insights from this study contribute to our understanding of the formation of conventional mesophase pitch and have implications for the processing of coal-derived materials. In conclusion, this knowledge is vital to produce valuable products like carbon fiber and graphite from pitches.
All-solid-state Li-metal batteries (ASLMBs) represent a significant breakthrough in the quest to overcome limitations associated with traditional Li-ion batteries, particularly in energy density and safety aspects. However, widespread implementation is stymied due to a lack of profound understanding of the complex mechano-electro-chemical behavior of Li metal in the ASLMBs. Herein, operando neutron imaging and X-ray computed tomography (XCT) are leveraged to nondestructively visualize Li behaviors within ASLMBs. This approach offers real-time observations of Li evolutions, both pre- and post- occurrence of a “soft short”. The coordination of 2D neutron radiography and 3D neutron tomography enables charting of the terrain of Li metal deformation operando. Concurrently, XCT offers a 3D insight into the internal structure of the battery following a “soft short”. Despite the manifestation of a “soft short”, the persistence of Faradaic processes is observed. To study the elusive “soft short”, phase field modeling is coupled with electrochemistry and solid mechanics theory. The research unravels how external pressure curbs dendrite growth, potentially leading to dendrite fractures and thus uncovering the origins of both “soft” and “hard” shorts in ASLMBs. Furthermore, by harnessing finite element modeling, it dive deeper into the mechanical deformation and the fluidity of Li metal.
This technical report is in submission of completion of the Level 2 milestone number M2AT 23OR1101022, titled “Be 2 C synthesis, properties, and ion-beam irradiation damage characterization,” for the AT-23OR110102 “Beryllium Carbide as moderator for MSRs—ORNL” WBS number 2.04.11.01 within the larger Advanced Reactor Technologies program at Oak Ridge National Laboratory. This effort is an initial study of the viability of Be 2 C as a future neutron moderator for molten salt reactors and other high-temperature reactors. The research was awarded funding in September 2022, and this Level 2 milestone presents the work that completed by the end of July 2023. This work is a collaboration between Oak Ridge National Laboratory and the University of Michigan. This report discusses the status of this effort and planned work before the final reporting.
A new apparatus was built to rapidly cool molten salts in liquid argon to prevent contamination during quenching and enable new insight into the structure in the liquid state. To test the applicability of the apparatus, several industrially relevant chloride salt compositions were first melted, rapidly solidified, and then characterized. The design proved applicable for the rapid quenching of molten salt. Furthermore, the structure of the apparatus prevented exposure of the rapidly quenched salt to impurities (humidity, oxygen, etc.). X-ray diffraction of salt specimens cooled with and without liquid argon showed differences including a structure further from the expected stoichiometric equilibrium with rapid cooling. Of particular interest is the chemical state of metallic impurities, and this may be probed using electron paramagnetic resonance.