Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “phase transfer”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 379 records · Page 21

Thermal diode and thermal switch for bi-directional heat transfer in building envelopes

The present disclosure relates to a directional heat transfer using thermal control devices, including a dual phase change thermal diode and an active contact-based thermal switch. The thermal diode includes a positive temperature coefficient switching material and a negative temperature coefficient switching material arranged in series. The thermal switch includes two thermally conducting surfaces which may be moved to contact (i.e., having a distance between them of substantially zero) creating minimal thermal contact resistance. Both thermal control devices may be used to control heat flow into and/or out of a building.

Kishore, Ravi Anant↗

Electroweak-like baryogenesis with new chiral matter

We propose a framework where a phase transition associated with a gauge symmetry breaking that occurs (not far) above the electroweak scale sets a stage for baryogenesis similar to the electroweak baryogenesis in the Standard Model. A concrete realization utilizes the breaking of SU(2) R × U(1) X → U(1) Y . New chiral fermions charged under the extended gauge symmetry have nonzero lepton numbers, which makes the B - L symmetry anomalous. The new lepton sector contains a large flavor-dependent CP violation, similar to the Cabibbo-Kobayashi-Maskawa phase, without inducing sizable electric dipole moments of the Standard Model particles. A bubble wall dynamics associated with the first-order phase transition and SU(2) R sphaleron processes generate a lepton asymmetry, which is transferred into a baryon asymmetry via the ordinary electroweak sphaleron process. Unlike the Standard Model electroweak baryogenesis, the new phase transition can be of the strong first order and the new CP violation is not significantly suppressed by Yukawa couplings, so that the observed asymmetry can be produced. The model can be probed by collider searches for new particles and the observation of gravitational waves. One of the new leptons becomes a dark matter candidate. The model can be also embedded into a left-right symmetric theory to solve the strong CP problem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Manipulating topological properties in Bi 2 Se 3 / BiSe /transition metal dichalcogenide heterostructures with interface charge transfer

Heterostructures of topological insulator Bi 2 Se 3 on transition metal dichalcogenides (TMDCs) offer a new materials platform for studying novel quantum states by exploiting the interplay among topological orders, charge orders and magnetic orders. Here, the diverse interface attributes, such as material combination, charge re-arrangement, defect and strain, can be utilized to manipulate the quantum properties of this class of materials. Recent experiments of Bi 2 Se 3 /NbSe 2 heterostructures show signatures of strong Rashba band splitting due to the presence of a BiSe buffer layer, but the atomic level mechanism is not fully understood. We conduct first-principles studies of the Bi 2 Se3/BiSe/TMDC heterostructures with five different TMDC substrates (1T phase VSe 2 , MoSe 2 , TiSe 2 , and 2H phase NbSe 2 , MoSe 2 ). We find significant charge transfer at both BiSe/TMDC and Bi 2 Se 3 /BiSe interfaces driven by the work function difference, which stabilizes the BiSe layer as an electron donor and creates interface dipole. The electric field of the interface dipole breaks the inversion symmetry in the Bi 2 Se 3 layer, leading to the giant Rashba band splitting in two quintuple layers and the recovery of the Dirac point in three quintuple layers, with the latter otherwise only occurring in thicker samples with at least six Bi 2 Se 3 quintuple layers. Besides, we find that strain can significantly affect the charge transfer at the interfaces. Our study presents a promising avenue for tuning topological properties in heterostructures of two-dimensional materials, with potential applications in quantum devices.

36 MATERIALS SCIENCE↗

Confinement-controlled selective CO 2 insertion into a dicopper dihydride core: A multiscale mechanistic study

CO 2 is an abundant C 1 feedstock for fuel and chemical synthesis. We have previously demonstrated experimentally a stepwise insertion of CO 2 into a [Cu 2 H 2 ] core via a solid–gas in crystallo reaction, forming formate species that are unstable and inaccessible under solution-phase conditions. This work elucidates how structural confinement within the crystal lattice enables such selective reactivity. In particular, co-crystallized tetrahydrofuran molecules induce site asymmetry around the [Cu 2 H 2 ] unit, modulating both the local electronic environment and CO 2 diffusion pathways. Using a multiscale computational approach that combines classical molecular mechanics, hybrid quantum mechanics/molecular mechanics molecular dynamics, and enhanced-sampling free energy calculations, we demonstrate how site asymmetry affects CO 2 binding affinities and reaction pathways. These results provide detailed mechanistic insight into CO 2 insertion and hydride transfer, highlighting key differences between crystal- and solution-phase pathways and offering a general framework for understanding how lattice confinement shapes chemical reactivity.

Chemical bonding↗

Fused filament fabrication of novel phase-change material functional composites

Additively manufactured polymer heat exchangers are of recent interest in the thermal sciences due to their lightweight and intricate heat-transfer-enhancing geometrical features. The goal of the present research is to directly encapsulate phase-change material (PCM) into polymer filament for the purpose of 3D printing polymer heat exchangers capable of latent heat thermal energy storage and management. PCMs have the ability to absorb large amounts of latent heat while undergoing a solid-to-liquid phase change at a nearly constant temperature. Encapsulation or containment of PCMs is necessary to prevent leaking since the material continuously cycles between a liquid and a solid state. An organic-based PCM and high-density polyethylene (HDPE) were combined and extruded into a functional composite filament. For the first time, with the aid of a heated enclosure and HDPE build plates, it was demonstrated that these functional composite materials can be printed using fused filament fabrication (FFF). Printing HDPE is known to be difficult; however, based on what was observed in the current study, the PCM and HDPE composite was easier to print than pure HDPE. Thermal properties, such as latent heat of fusion, phase-change temperature, and thermal conductivity, of the composite filament and 3D printed samples were investigated and compared with compression-molded bulk material. Finally, the microstructures of the composite filament and 3D printed samples were visualized, and the basic structures of the HDPE and PCM within both the filament and 3D printed parts were clearly delineated.

36 MATERIALS SCIENCE↗

Wettability Effects on Falling Film Flow and Heat Transfer Over Horizontal Tubes in Jet Flow Mode

The performance of a falling-film heat exchanger is strongly linked to the surface characteristics and the heat transfer processes that take place over the tubes. The primary aim of this numerical study is to characterize the influence of surface wettability on the film flow behavior and its associated surface heat transfer in the jet-flow mode. Volume of fluid (VOF) based simulations are carried out for horizontal tubes with different surface wettabilities. The wettability of the tube surfaces is represented using the Kistler's dynamic contact angle model. Surface wettability effects ranging from superhydrophilic to superhydrophobic are studied by varying the equilibrium contact angle from 2 deg to 175 deg. Two different liquid mass flow rates of 0.06 and 0.18 kg/m-s corresponding to the inline and staggered jet flow modes are studied. Results are presented in terms of the liquid film thickness, the contact areas between the different phases (solid–liquid and liquid–air), and the heat transfer coefficient or Nusselt number. The resistance imposed by the increasing contact angles inhibits the extent of the liquid spreading over the tube surface, and this, in turn, influences the liquid film thickness, and the wetted area of the tube surface. A significant decrement in the heat transfer rate from the tube surfaces was observed as the equilibrium contact angle increased from 2 deg to 175 deg. The local distributions of the Nusselt number over the tube surface are strongly influenced by the flow recirculation in the liquid bulk.

Engineering↗

Kuramoto synchronization of quantum tunneling polarons for describing the dynamic structure in cuprate superconductors

A major open topic in cuprates is the interplay between the lattice and electronic dynamics and the importance of their coupling to the mechanism of high-temperature superconductivity (HTSC). As evidenced by extended x-ray absorption fine structure (EXAFS) experiments, anharmonic structural effects are correlated with the charge dynamics and the transition to a superconducting phase in different HTSC compounds. Here, in this paper, we describe how structural anharmonic effects can be coupled to electronic and lattice dynamics in cuprate systems by performing the exact diagonalization of a prototype anharmonic many-body Hamiltonian on a relevant 6-atom cluster and show that the EXAFS results can be understood as a Kuramoto synchronization transition between coupled internal quantum tunneling of polarons associated with the two-site distribution of the copper–apical oxygen (Cu-O ap ) pair in the dynamic structure. The transition is driven by the anharmonicity of the lattice vibrations and promotes the pumping of charge, initially stored at the apical oxygen reservoirs, into the copper-oxide plane. Simultaneously, a finite projection of the internal quantum tunneling polaron extends to the copper–planar oxygen (Cu-O pl ) pair. All these findings allow an interpretation based on an effective quantum-mechanical triple-well potential associated with the oxygen sites of the 6-atom cluster, which accurately represents the phase synchronization of apical oxygens and lattice-assisted charge transfer to the CuO 2 plane.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

COMPUTATION FLUID DYNAMICS ANALYSIS FOR GENERIC SMALL MODULAR REACTOR CONTAINMENT SEPARATE EFFECTS TEST

It is desirable for fourth-generation Small Modular Reactors to be passively cooled in standard and accident operations. Passive Containment Cooling Systems can reject heat from the containment structure, without using pumps or blowers. The targeted design containment structure is a large, domed, stainless steel, cylindrical vessel. In a postulated Design Basis Accident, steam will flash inside containment. Steam condensation occurs on the inner containment wall and transfers heat through the steel containment into a large body of water known as the annular reservoir (AR) surrounding the vessel serving as the ultimate heat sink. Natural circulation drives the flow in the AR and heat will be released to the environment by evaporation of water. Unique containment geometry requires a separate effects test (SET) facility for the verification and validation of the computer code and evaluation model development and assessment for reactor licensing efforts. In this study, STAR-CCM+, a computational fluid dynamics (CFD) code was used to inform the decision-making process on the design of the SET. The CFD simulation modeled, a two-phase turbulent flow with fluid film development and heat transfer for different containment geometries. The Reactor Excursion and Leak Analysis Program will also be used in a code-to-code verification against the CFD results.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

Generation of shear flows induced by AE / EPM in LHD plasma

The generation of shear flows (SFs) by Alfven Eigenmodes (AEs) and energetic particle modes (EPMs) have important effects on the operation of future nuclear fusion reactors, because SFs regulate the saturation of the AEs/EPMs, the transport of EPs and thermal plasma, as well as the formation of transport barriers among other consequences. The aim of this study is the analysis of SFs generation during the saturation phase of AEs and EPMs in LHD plasma. Experiments performed in the 23rd and 24th LHD experimental campaigns are dedicated to explore the destabilization of AEs/EPMs in discharges with different heating patterns, thermal plasma and magnetic field configurations. In particular, the shots 176490 and 179697 show the destabilization of MHD bursts and energetic-ion-driven resistive interchange modes (EIC), respectively. Charge exchange spectroscopy measurements in both discharges indicate that the generation of SFs by AE/EPM is uncorrelated with the perturbation induced by the neutral beam injector (NBI). Nonlinear simulations performed using the gyro-fluid code FAR3d show the generation of zonal structures, especially SFs, induced during the saturation phase of Toroidal Alfven Eigenmodes (TAEs) triggered in the MHD burst as well as by the 1/1 EIC in the bursting phase. The simulations indicate that SFs are caused by the radial electric fields powered by energy transfers from the unstable AE/EPM towards the thermal plasma. The strongest SFs are measured during the EIC bursting phase once the 1/1 EPM overlaps with nearby resonances at the plasma periphery. Likewise, the largest SFs during the MHD burst are observed once TAEs radially overlap in the inner-middle plasma region.

AE↗

A Universal Converter for DC, Single-phase AC, and Multi-phase AC Systems (Final Report)

The goal of this project was to develop a new class of universal power converters that utilize the unique properties of WBG switches, including high reverse voltage blocking and fast switching, to achieve superior performance in universal converters. Some of the features of the proposed converter are as follows: 1) Significantly longer lifetime, higher power density, lower costs associated with bill of materials, and lower shipping, installation, and repair costs compared to the existing WBG-based solutions, 2) Very flexible operation for transferring power between any type of source (dc, single-phase ac, or multi-phase ac) and any type of load (dc, single-phase ac, or multi-phase ac) without using large passive components or additional stages/components, even when the instantaneous values of input and output power are not the same, and 3) High performance operation at all power levels. Considering its advantages and wide range of applications, the proposed converter has the potential to create a new paradigm in power electronics. Among numerous applications of this converter are electric vehicles, wind energy systems, PV systems, industrial motor drives, residential variable frequency drive systems, and nanogrid applications. This project focused on the application of this converter for residential PV, residential motor drive, and industrial motor drive applications, and evaluated the performance of this converter for these applications.

42 ENGINEERING↗

Ultrafast Formation of Charge Transfer Trions at Molecular‐Functionalized 2D MoS 2 Interfaces

Abstract In this work, we investigate trion dynamics occurring at the heterojunction between organometallic molecules and a monolayer transition metal dichalcogenide (TMD) with transient electronic sum frequency generation (tr‐ESFG) spectroscopy. By pumping at 2.4 eV with laser pulses, we have observed an ultrafast hole transfer, succeeded by the emergence of charge‐transfer trions. This observation is facilitated by the cancellation of ground state bleach and stimulated emission signals due to their opposite phases, making tr‐ESFG especially sensitive to the trion formation dynamics. The presence of charge‐transfer trion at molecular functionalized TMD monolayers suggests the potential for engineering the local electronic structures and dynamics of specific locations on TMDs and offers a potential for transferring unique electronic attributes of TMD to the molecular layers.

Jing, Yuancheng↗

Experimental investigation of Multi-Mode heat transfer to a Free-Falling dilute particle cloud in a heated vertical tube

The development of dilute particle heat exchangers and reactors for advanced energy systems requires an understanding of the multi-mode heat transfer from a heated wall to falling particles. This study presents experimental results of the overall heat transfer coefficient for a free-falling, dilute flow of particles with solid volume fraction from 0.0005 to 0.006 corresponding to feed rates from 3.7 kg s -1 m -2 to 44 kg s -1 m -2 in a vertical, heated tube containing quiescent air at atmospheric pressure. Tube wall temperatures are varied between 300°C to 900°C while keeping the particle inlet temperature constant. The experimental results show that the overall heat transfer coefficient is a strong function of particle feed rate and surface temperature. Good agreement was obtained with prior studies conducted at comparable temperatures but lower particle feed rates (< 4 kg m -2 s -1 ). The established correlations for particle-to-wall radiation and particle-to-gas convection were used to estimate the wall-to-gas convective contribution from the measured overall heat transfer coefficient. The experimental results indicated a 4 to 6 times improvement in the wall convection in the solid-gas mixture compared to that expected from natural convection in a single-phase gas. Furthermore, the data presented here are applicable to characterize heat transfer in dilute particle heat exchangers, furnaces, and solar receivers.

14 SOLAR ENERGY↗

Evidence for autotrophic growth of purple sulfur bacteria using pyrite as electron and sulfur source

ABSTRACT Purple sulfur bacteria (PSB) are capable of anoxygenic photosynthesis via oxidizing reduced sulfur compounds and are considered key drivers of the sulfur cycle in a range of anoxic environments. In this study, we show that Allochromatium vinosum (a PSB species) is capable of autotrophic growth using pyrite as the electron and sulfur source. Comparative growth profile, substrate characterization, and transcriptomic sequencing data provided valuable insight into the molecular mechanisms underlying the bacterial utilization of pyrite and autotrophic growth. Specifically, the pyrite-supported cell cultures (“py”’) demonstrated robust but much slower growth rates and distinct patterns from their sodium sulfide-amended positive controls. Up to ~200-fold upregulation of genes encoding various c - and b -type cytochromes was observed in “py,” pointing to the high relevance of these molecules in scavenging and relaying electrons from pyrite to cytoplasmic metabolisms. Conversely, extensive downregulation of genes related to LH and RC complex components indicates that the electron source may have direct control over the bacterial cells’ photosynthetic activity. In terms of sulfur metabolism, genes encoding periplasmic or membrane-bound proteins (e.g., FccAB and SoxYZ) were largely upregulated, whereas those encoding cytoplasmic proteins (e.g., Dsr and Apr groups) are extensively suppressed. Other notable differentially expressed genes are related to flagella/fimbriae/pilin(+), metal efflux(+), ferrienterochelin(−), and [NiFe] hydrogenases(+). Characterization of the biologically reacted pyrite indicates the presence of polymeric sulfur. These results have, for the first time, put the interplay of PSB and transition metal sulfide chemistry under the spotlight, with the potential to advance multiple fields, including metal and sulfur biogeochemistry, bacterial extracellular electron transfer, and artificial photosynthesis. IMPORTANCE Microbial utilization of solid-phase substrates constitutes a critical area of focus in environmental microbiology, offering valuable insights into microbial metabolic processes and adaptability. Recent advancements in this field have profoundly deepened our knowledge of microbial physiology pertinent to these scenarios and spurred innovations in biosynthesis and energy production. Furthermore, research into interactions between microbes and solid-phase substrates has directly linked microbial activities to the surrounding mineralogical environments, thereby enhancing our understanding of the relevant biogeochemical cycles. Our study represents a significant step forward in this field by demonstrating, for the first time, the autotrophic growth of purple sulfur bacteria using insoluble pyrite (FeS2) as both the electron and sulfur source. The presented comparative growth profiles, substrate characterizations, and transcriptomic sequencing data shed light on the relationships between electron donor types, photosynthetic reaction center activities, and potential extracellular electron transfer in these organisms capable of anoxygenic photosynthesis. Furthermore, the findings of our study may provide new insights into early-Earth biogeochemical evolutions, offering valuable constraints for understanding the environmental conditions and microbial processes that shaped our planet’s history.

59 BASIC BIOLOGICAL SCIENCES↗

Pulsed laminar falling films in vertical tubes: Maintaining a continuous liquid film with reduced film thickness

Falling-liquid-film heat transfer is important to a wide variety of industrial applications, including two-phase thermosyphons, falling-film evaporators in the food industry, heat exchangers in fuel-ethanol processing, and the chemical service industry. Particularly for laminar falling films, the heat transfer increases as the film thickness decreases, hence it is desirable to keep the films as thin as possible. This article presents a periodically-pulsed flow concept to reduce the average mass flow inside a vertical tube. The technique provides thinner films than can be achieved with continuous flow. A drainage model is adopted to predict the film thickness as a function of flow rate and location along the tube. The concept is confirmed experimentally by measuring the film thickness in real time in a circular tube using a laser-based absorption technique. A new heat-transfer-based film continuity measurement is also integrated into the optical film measurement setup. Water at ambient temperature and pressure is used for this work. Film thickness reductions of up to 60%, and liquid-film volume-flow reductions of up to 80% compared to the minimum continuous-flow film have been obtained. The time-varying film thickness profile can also be controlled to a limited extent, which may be of interest for process industries.

42 ENGINEERING↗

Optimization of the compositions of polyanionic sodium-ion battery cathode NaFe 2-x V x (PO 4 )(SO 4 ) 2

Sodium (Na) super ionic conductor (NASICON) polyanionic compounds have recently attracted much attention from the battery community because of their electroactive properties and reasonably high ionic conductivities, leading to their use as a cathode in sodium-ion batteries. This article describes the compositional optimizations, crystallographic evaluations, and electrochemical behavior of a new mixed NASICON polyanionic compound, NaFe 2-x V x (PO 4 )(SO 4 ) 2 . By doping the characteristic Fe 3+ sites of the FeO 6 octahedrons with varying amounts of V 3+ , the electrochemical stability and charge transport in NaFe 2 (PO 4 )(SO 4 ) 2 were enhanced. The resulting best composition, with crystal structure NaFe 1.4 V 0.6 (PO 4 )(SO 4 ) 2 resolved through the Rietveld method, exhibited a stable capacity compared with the other synthesized compositions. In situ powder x-ray diffraction measurements, a single-phase intercalation/deintercalation mechanism of the NASICON structure in the measured sodium concentration window was observed with no impurity phase formation. Further electrochemical assessments revealed the interfacial charge transfer kinetics to be the rate-limiting step in the sodium concentration window. Also, the measured sodium-ion diffusivity values in the range of 6 × 10 -11 to 7 × 10 -11 cm 2 /s in the measured sodium concentration range. The results reported here highlight the potential of compositionally and morphologically optimized NaFe 1.4 V 0.6 (PO 4 )(SO 4 ) 2 with higher particle surface areas as a cathode material for high-performance sodium-ion batteries.

25 ENERGY STORAGE↗

Influence of pilot-fuel mixing on the spatio-temporal progression of two-stage autoignition of diesel-sprays in low-reactivity ambient fuel-air mixture

The spatial and temporal locations of autoignition for direct-injection compression-ignition engines depend on fuel chemistry, temperature, pressure, and mixing trajectories in the fuel jets. Dual-fuel systems can provide insight into both fuel-chemistry and physical effects by varying fuel reactivities and engine operating conditions. In this context, the spatial and temporal progression of two-stage autoignition of a diesel-fuel surrogate, n-heptane, in a lean-premixed charge of synthetic natural-gas (NG) and air is imaged in an optically accessible heavy-duty diesel engine. The lean-premixed charge of NG is prepared by fumigation upstream of the engine intake manifold. Optical diagnostics include high-speed (15kfps) cool-flame chemiluminescence-imaging as an indicator of low-temperature heat-release (LTHR) and OH* chemiluminescence-imaging as an indicator high-temperature heat-release (HTHR). NG prolongs the ignition delay of the pilot fuel and increases the combustion duration. Zero-dimensional chemical-kinetics simulations provide further understanding by replicating a Lagrangian perspective for mixtures evolving along streamlines originating either at the fuel nozzle or in the ambient gas, for which the pilot-fuel concentration is either decreasing or increasing, respectively. The zero-dimensional simulations predict that LTHR initiates most likely on the air streamlines before transitioning to HTHR, either on fuel-streamlines or on air-streamlines in regions of near-constant φ. Due to the relatively short pilot-fuel injection-durations, the transient increase in entrainment near the end of injection (entrainment wave) is important for quickly creating auto-ignitable mixtures. To achieve desired combustion characteristics, e.g., multiple ignition-kernels and favorable combustion phasing and location (e.g., for reducing wall heat-transfer or optimizing charge stratification), adjusting injection parameters could tailor mixing trajectories to offset changes in fuel ignition chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Transformer quantum state: A multipurpose model for quantum many-body problems

Here, inspired by the advancements in large language models based on transformers, we introduce the transformer quantum state (TQS): a versatile machine learning model for quantum many-body problems. In sharp contrast to Hamiltonian/task specific models, TQS can generate the entire phase diagram, predict field strengths with experimental measurements, and transfer such a knowledge to new systems it has never been trained on before, all within a single model. With specific tasks, fine-tuning the TQS produces accurate results with small computational cost. Versatile by design, TQS can be easily adapted to new tasks, thereby pointing towards a general-purpose model for various challenging quantum problems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dynamical generation of the baryon asymmetry from a scale hierarchy

We propose a novel baryogenesis scenario where the baryon asymmetry originates directly from a hierarchy between two fundamental mass scales: the electroweak scale v and the Planck scale M P , in the form of Y B ∼ v M P . This relation straightforwardly gives the observed baryon yield today Y B , which can be a hint for underlying fundamental physics. We provide an example of baryogenesis models that yield this relation. Our model is based on the neutrino-portal Affleck-Dine mechanism, which generates the asymmetry of the Affleck-Dine sector during the radiation-dominated era and subsequently transfers it to the baryon number before the electroweak phase transition. The observed baryon asymmetry is then a natural outcome of this scenario. The model is testable as it predicts the existence of a Majoron with a keV mass and an electroweak scale decay constant. The impact of the relic Majoron on the effective number of neutrinos ( Δ N eff ) can be measured through near-future cosmic microwave background observations. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗