Compact Configuration Research Articles

Elucidating Protein Structures in the Gas Phase: Traversing Configuration Space with Biasing Methods.

Achieving accurate characterization of protein structures in the gas phase continues to be a formidable challenge. To tackle this issue, the present study employs Molecular Dynamics (MD) simulations in tandem with enhanced sampling techniques (methods designed to efficiently explore protein conformations). The objective is to identify suitable structures of proteins by contrasting their calculated Collision Cross-Section (CCS) with those observed experimentally. Significant discrepancies were observed between the initial MD-simulated and experimentally measured CCS values through Ion Mobility-Mass Spectrometry (IMS-MS). To bridge this gap, we employed two distinct enhanced sampling methods, Harmonic Biasing Potential and Adaptive Biasing Force, which help the proteins overcome energy barriers to adopt more compact configurations. These techniques leverage the radius of gyration as a reaction coordinate (guiding parameter), guiding the system toward compressed states that potentially match experimental configurations more closely. The guiding forces are only employed to overcome existing barriers and are removed to allow the protein to naturally arrive at a potential gas phase configuration. The results demonstrated close alignment (within ∼4%) between simulated and experimental CCS values despite using different strengths and/or methods, validating their efficacy. This work lays the groundwork for future studies aimed at optimizing biasing methods and expanding the collective variables used for more accurate gas-phase structural predictions.

Real-Time Reconfigurable Radio Frequency Arbitrary-Waveform Generation via Temporal Pulse Shaping with a DPMZM and Multi-Tone Inputs

Benefitting from a large bandwidth and compact configuration, a time-domain pulse-shaping (TPS) system provides possibilities for generating broadband radio frequency (RF) arbitrary waveforms based on the Fourier transform relationship between the input–output waveform pair. However, limited by the relatively low sampling rate and bit resolution of an electronic arbitrary-waveform generator (EAWG), the diversity and fidelity of the output waveform as well as its reconfiguration rate are constrained. To remove the EAWG’s limitation and realize dynamic real-time reconfiguration of RF waveforms, we propose and demonstrate a novel approach of RF arbitrary-waveform generation based on an improved TPS system with an integrated dual parallel Mach–Zehnder modulator (DPMZM) and multi-tone inputs. By appropriately adjusting the DC bias voltages of DPMZM and the power values, as well as the center frequencies of the multi-tone inputs, any desired RF arbitrary waveform can be generated and reconfigured in real time. Proof-of-concept experiments on the generation of different user-defined waveforms with a sampling rate up to 27 GSa/s have been successfully carried out. Furthermore, the impact of modulation modes and higher-order dispersion on waveform fidelity is also discussed in detail.

Diabatic dynamical diquark bound states: Mass corrections and widths

Using the diabatic formalism, which generalizes the adiabatic approximation in the Born-Oppen-heimer formalism, we apply well-known Hamiltonian methods to calculate the effect of open di-meson thresholds that lie well below the mass of elementary cc¯qq¯′, cc¯ss¯, and cc¯qs¯ tetraquark bound states. We compute the resulting mass shifts for these states, as well as their decay widths to the corresponding meson pairs. Each mass eigenstate, originally produced using a bound-state approximation under the diabatic formalism, consists of an admixture of a compact diquark-antidiquark configuration (an eigenstate of the original dynamical diquark model) with an extended di-meson configuration induced by the nearest threshold. We compare our results with those from our recent work that employs a scattering formalism, and find a great deal of agreement, but also comment upon interesting discrepancies between the two approaches. Published by the American Physical Society 2024

High-Fidelity Simulations of Rotors in a Compact Configuration

High-fidelity computational fluid dynamics (CFD) simulations of seven rotors in compact configuration at three different flight scenarios are performed. The cases are hover as well as 50 and 100 km/h forward flights. For comparison, each rotor is simulated as an isolated rotor with the same RPM and pitch angle as in the configuration. Additionally, a bigger isolated rotor with the same diameter as the complete configuration is simulated. For the configuration as well as the bigger rotor a flight mechanics trim is performed using the flight mechanics tool VFAST. The CFD simulations are performed with FLOWer. In hover, only the center rotor showed a significant figure of meritdrop of 16% compared to the isolated rotor. The thrust of the outer rotors is increased at the tip areas facing outwards, while the tip areas towards the center and the tip areas of the center rotor showed reduced thrust compared to the isolated rotor. The wake contraction at the outer rotors is increased compared to the bigger rotor. For the 50 km/h forward flight, the efficiency of the front rotors is increased (10???17%) and the rear ones decreased (11???16%). In this case, the wake is directly convected from the front rotors into the rear rotor planes and strong vortex interactions occur. For the 100 km/h case, the efficiency of the front rotors increases by 3???11%, while it decreases by 5???9% for the rear rotors. Due to the higher pitch, the wake of the rotors flows away from the rotor plane and the rotor???rotor interactions are reduced.

Analysis for [formula omitted] in nonrelativistic quark model

The discovery of the doubly charmed tetraquark Tcc(ūd̄cc) provides a strong constraint on its binding energy compared to its lowest threshold. Using a fully convergent spatial wave function, we simultaneously fit to both the mesons and baryons. Our results indicate that a Yukawa type hyperfine potential produces to a slightly bound state for Tcc with (I,S)=(0,1), placing it below its lowest threshold, which is consistent with the experimental observations. Additionally, our study suggests that Tcc is very likely to be in a compact configuration. This original work is described in Noh and Park (2023).

Efficient single-mode operation in a 10 dB/m absorption very-large-mode-area ytterbium-doped optical fiber via curvature-induced mode filtering

In this paper we report our findings on the design, manufacturing and testing of low numerical aperture active step-index optical fibers with very large mode area, operating in a truly single-mode regime. Our approach to efficiently filter higher-order modes in the core relies on applying curvature in a specific direction at a given diameter on a specially designed fiber containing boron-doped silica rods on both sides of the core. The fabricated ytterbium-doped fibers exhibit a mode field diameter of 32μm, a cladding pump absorption of 10 dB/m and were designed for use in a compact monolithic configuration due to its all-solid nature and its 14 cm targeted bend diameter.

Design and modeling of a programmable morphing structure with variable stiffness capability

The development of structures capable of both dynamic shape morphing and stiffness modulation has significant potential in various applications. However, such structures often suffer from bulkiness and control complexity. This paper addresses these challenges by exploring a scaled structure that integrates morphing capabilities and variable stiffness within a compact configuration. For the first time, we establish a comprehensive set of design criteria and obtain the previously unexplored design space, focusing on geometric parameters including layer thickness, target shape radius, the number of scales, and the number of periods per scale. Through extensive finite element simulations, we evaluate the impact of material property and geometric parameters on the performance of the scaled structure, emphasizing the role of coefficient of friction. Our findings identify a critical threshold for the coefficient of friction above which morphing ability is hindered. Additionally, we uncover a trade-off between morphing capability and stiffness variation ability, which we overcome by modifying the surface structure of the scales. The optimal design is found to be a superellipse shape with an exponent of ∼1.9. The practical potential of this structure is demonstrated through three applications: a soft gripper, a phone stand, and a foldable box, showcasing its versatility in real-world scenarios. This research provides a foundational approach for designing morphing scaled structures, offering valuable insights into optimizing morphing capability and stiffness variation ability for broader engineering applications.

Kinetics study on inhibiting battery thermal runaway using an inorganic phase change material with a super high thermochemical storage capacity

Lithium-ion batteries are susceptible to fires and explosions due to thermal runaway, a serious safety hazard. This study explores the potential of using hydrated inorganic salt (TCM40) composite phase change materials to prevent thermal runaway in battery packs. TCM40 composites stand out due to their exceptional thermochemical heat storage capacity, which allows them to effectively absorb excess heat during runaway events. The research investigates how thermal conductivity, thermal storage capacity, and cell spacing influence the propagation of thermal runaway. The findings demonstrate that TCM40 composites, with a thermal storage density exceeding 1000 kJ/kg, are significantly more effective in preventing thermal runaway compared to traditional latent heat storage phase change materials with lower capacities. To gain a comprehensive understanding of thermal runaway mitigation, a combined thermal management model was developed. This model integrates a battery thermal runaway model with a kinetic model describing the decomposition of TCM40 composites. The analysis reveals that the high heat absorption capability of TCM40 composites minimizes heat transfer to neighboring cells during thermal runaway. Furthermore, the model provides valuable insights into the synergistic effects of thermal conductivity and heat storage capacity on runaway propagation. This knowledge can be directly applied to design safer battery packs, even for compact configurations where cell spacing is less than 2 mm. This study offers significant advancements in both thermal protection materials and design strategies for lithium-ion battery packs. These advancements have the potential to significantly improve battery system safety and minimize the risk of explosions.

Highly sensitive plasmonic sensor with a coupled split-square-ring resonator

A novel plasmonic sensor, which is composed of a metal-insulator-metal (MIM) waveguide and a coupled split-square-ring resonator, is proposed and investigated by utilizing the two-dimensional (2D) finite-difference time-domain (FDTD) method. The optimized results demonstrate that the proposed sensor is highly sensitive to variations of refractive index (RI) and temperature, i.e. the RI and temperature sensitivities are up to 2040 nm RIU−1 and −1.2 nm/°C, respectively. Numerical simulations reveal that the sensing performance can still be further improved via optimization of the structure. This research may open up new schemes in realizing high-sensitive biosensors with compact configurations.

Electron cyclotron current start-up using a retarding electric field in the QUEST spherical tokamak

Abstract The plasma current start-up experiment is conducted through electron cyclotron (EC) heating in the QUEST spherical tokamak. During the EC heating, the application of a toroidal electric field in the opposite direction to the plasma current effectively inhibits the growth of energetic electrons. Observations show rapid increases in plasma current and hard x-ray count immediately following the cancellation of the retarding electric field. When a compact tokamak configuration maintains equilibrium on the high field side, along with the retarding field, it leads to effective bulk electron heating. This heating achieved an electron temperature of T e ≈ 1 keV at electron density n e > 1.0 × 1018 m−3. Ray tracing of the EC wave verifies that more power absorption into plasma through a single-pass occurs around the second resonance layer with higher values of electron density and temperature.

Fusing together an outline design for sustained fuelling and tritium self-sufficiency.

Ensuring tritium fuel self-sufficiency while maintaining continuous and high-specification fuel flow to the tokamak via a low tritium inventory and controllable fuel cycle is a significant challenge to the STEP plant design. Effective and high-quality fuelling and exhaust design is required to sustain and control a stable plasma, whereas fuel sufficiency is required to prevent depletion of available tritium supply. Concerns regarding the lack of tritium availability preventing continuous tritium import are countered by breeding, where highly energetic neutrons from the core fusion reactions interact with lithium atoms suspended in the surrounding breeder blanket to produce tritium. The compact nature of STEP prohibits the integration of inboard breeder blankets posing a significant challenge for the design team looking to ensure more tritium is bred and made available than consumed within the core plasma. This paper outlines how purposeful technology selection and system architecting has converged on the outline of a conceivable and tritium-capable fuel cycle and breeder blanket design. Before introducing the STEP fuel cycle design outline and summarizing the approach undertaken to address the challenges facing plasma fuelling, key aspects of fuel self-sufficiency are discussed. This includes discussing a proposed helium-cooled liquid lithium breeder blanket and possible technology options for tritium extraction from lithium. Lastly, there is a brief process modelling overview, which emphasizes the central contribution of various employed modelling methods. Reflections on the presented fuel cycle design outline conclude that substantial development work is still required to realize a continuous tritium fuel cycle design and overcome the major challenges posed by tritium and lithium handling. Reflections on the presented breeder blanket design proposal conclude that while many substantial risks and blockers remain to achieve fuel self-sufficiency, high breeding ratios are expected to be achievable with a compact spherical tokamak configuration. Nonetheless, it is recognized that further consideration is required to ensure that the selection of liquid lithium as a breeder medium provides the overall simplest route to a self-sufficient and realizable design.This article is part of the theme issue 'Delivering Fusion Energy - The Spherical Tokamak for Energy Production (STEP)'.

PSF-engineered snapshot full-Stokes polarizing-spectral-imaging via metasurface with reciprocally encoded anisotropic detour phase

A broadband snapshot full-Stokes polarizing-spectral-imaging (PSI) is achieved by reciprocally designing a metal–insulator-metal metasurface with anisotropic detour phase to generate polarizing-spectrally dependent dot-array-shaped point-spread-function (PSF), and the high dimensional information can be retrieved from one snapshot intensity image through the post-computation. It overcomes the restriction on the wavelength selection in principle faced by the propagating phase modulation scheme used in the previous metasurface-based PSI approaches, and brings advantages including compact configuration, fast acquisition and broadband operation. The dependence of the engineered PSF on the polarizing-spectral channel across 100 nm in the visible band is experimentally verified and analyzed, consistent well with the simulation. Reconstruction results for the high dimensional imaging are presented in simulations and experiments based on the established model.

Interaction of exotic states in a hadronic medium: the Z c (3900) case

We investigate the interactions of the charged exotic state Z c (3900) in a hadronic medium composed of light mesons. We study processes such as Zcπ→DD¯ , Zcπ→D*D¯* , Zcπ→DD¯* and the inverse ones. Using effective Lagrangians and form factors calculated with Quantum Chromodynamics (QCD) sum rules (treating the Z c (3900) as a tetraquark) we estimate the vacuum and thermally-averaged cross-sections of these reactions. We find that the Z c (3900) has relatively large interaction cross sections with the constituent particles of the hadronic medium. After that, we use the production and suppression cross sections in a rate equation to estimate the time evolution of the Z c multiplicity. We include the Z c decay and regeneration terms The coalescence model is employed to compute the initial Z c multiplicity for the compact tetraquark configuration. Our results indicate that the combined effects of hadronic interactions, hydrodynamical expansion, decay and regeneration affect the final yield, which is bigger than the initial value. Besides, the dependence of the Z c final yield with the centrality, center-of-mass energy and the charged hadron multiplicity measured at midrapidity [dNch/dη(η<0.5)] is also investigated.

Modeling of charged self-gravitating compact configurations using conformal killing vector

This manuscript investigates sources that are spherically symmetric when subjected to an electromagnetic field (EMF), specifically concentrating the fluid distribution in non-static spacetime. We analyzed the source in f(R) gravity, where R is the Ricci scalar. We investigate the fluid’s collapse by using the strategy that the metric satisfies the conformal killing vector (CKV) equation. To make our system solvable, we imposed some limitations on it, i.e., the homologous collapse and the diminishing of complexity factor. It is analyzed that the electric field intensity has an effect on physical variables like energy density and stress components. It is also concluded that temperature distribution implicitly depends on electric field intensity.

Cryogenic energy assisted power generation utilizing low flammability refrigerants

Cryogenic carbon-neutral fuels are potential alternatives as future marine fuels, releasing waste cryogenic energy during regasification and waste thermal energy during combustion. Organic Rankine Cycles (ORCs), using flammable hydrocarbon working fluids, are the preferred waste energy reutilization technology, prioritized over Brayton and Kaline cycles due to their compact system configuration. However, hydrocarbon flammability and explosiveness poses a huge safety risk. Therein lies the novelty of this study which presents an advanced dynamic model of a cryogenic enhanced ORC utilizing low flammability hydrofluorocarbons as working fluids for simultaneous reutilization of waste thermal and cryogenic energy from carbon-neutral cryogenic fuels. The evaporation temperature exhibits a direct correlation with energy and an inverse correlation with the exergy performance. System overcharging leads to a drastic performance decline, while undercharging can be tolerated to a certain liquid-to-volume ratio until critical failure. Marine classification societies’ recommendations-based scenarios were employed to gauge the emission reduction potential of low flammability working fluids for cryogenic ORCs, pitted against traditional combustion technologies. A maximum specific net-work, thermal efficiency, exergy efficiency, and cryogenic energy efficiency of 45.64 kJ/kg, 10.43 %, 12.75 %, and 11.8 % was achieved, respectively, with 85 % reduction in GHG emissions, using R452B as the working fluid.

(Invited) Nanoarray Configured Monoliths for Self-Monitored Multi-Phase Reactive Processes

The incorporation of multiple functions synergistically into one device or platform can enable additions of application merits such as light weight, ease for system integration, reduced system complexity, cost-effectiveness, and programmability. This is especially true for usually complex energy, environmental, and biological systems with the integration need of many active or passive devices and components of various functionalities. In this work, we demonstrated a compact nanoarray configured monolith design with the ability to function as both a catalyst and a sensor to enable the self-monitoring of the complex multi-phase catalytic reaction processes during operation. A bimodular approach has been realized using both electrical and electrochemical interrogation modes for reactive gas and solid phase monitoring directly using the built-in catalysts. This new type of compact and built-in monolithic sensor configuration can lower the catalytic energetics and detect gas/solid composition semi-quantitatively at room temperature up to elevated temperature. Robust calibration curves of built-in sensor responses can be achieved with facile data processing and analyzing. The built-in monolith sensor shows good sensitivity and good selectivity sufficient for the self-monitoring of the reaction process. Besides, the nanoarray based monolith device has shown good environmental tolerance toward practical applications. Such compact monolithic device can serve as a self-monitored reactor, filter, and other function component that can potentially allow in-situ and real time monitoring and functional process control in complex and reactive physical and chemical environments. With further refining of the design and functional integration, this new type of smart monolithic device can provide necessary data and knowledge for future computation-driven situational awareness prediction and intelligent control of various complex dynamic processes and systems.

Rocky planet formation in compact disks around M dwarfs

Due to the improvements in radial velocity and transit techniques, we know that rocky or rocky-icy planets, in particular close-in super-Earths in compact configurations, are the most common ones around M dwarfs. On the other hand, thanks to the high angular resolution of ALMA we know that many disks around very low-mass stars (between 0.1 and 0.5 M$_ are rather compact and small (without observable substructures and radius less than 20 au), which favors the idea of an efficient radial drift that could enhance planet formation in the terrestrial zone. Our aim was to investigate the potential formation paths of the observed close-in rocky exoplanet population around M dwarfs, especially close-in super-Earths, assuming that planet formation could take place in compact disks with an efficient dust radial drift. We developed N-body simulations that include a sample of embryos growing by pebble accretion exposed to planet-disk interactions, star-planet tidal interactions, and general relativistic corrections that include the evolution of the luminosity, radius, and rotational period of the star. For a star of 0.1 M$_ we considered different gas disk viscosities and initial embryo distributions. We also explored planet formation by pebble accretion around stars of 0.3 M$_ and 0.5 M$_ Lastly, for each stellar mass, we ran simulations that include a sample of embryos growing by planetesimal accretion instead of pebble accretion. Our main result is that the sample of simulated planets that grow by pebble accretion in a gas disk with low viscosity ($ $) can reproduce the close-in low-mass exoplanet population around M dwarfs in terms of multiplicity, mass, and semi-major axis. Furthermore, we found that a gas disk with high viscosity ($ $), and thus lower pebble accretion rates, cannot reproduce the observed planet masses as no planet more massive than 0.5 M$_ could be formed in our simulations. In addition, we show that planetesimal accretion favors the formation of smaller planets than pebble accretion does. Whether this planet population truly exists remains unknown with the current instrumental sensitivity. Rocky planet formation around M dwarfs can take place in compact and small dust disks driven by an efficient radial drift in a gas disk with low viscosity ($ $). This result points toward a new approach in the direction of the disk conditions needed for rocky planet formation around very low-mass stars.

Geometrically Deformed Charged Anisotropic Models in f(Q, T) Gravity

AbstractIn this study, the geometrically deformed compact objects in the f(Q, T) gravity theory under an electric field through gravitational decoupling via minimal geometric deformation (MGD) technique are developed for the first time. The decoupled field equations are solved via two different mimic approaches and through the Karmarkar condition. Physical viability tests are conducted on our models and examine how decoupling parameters affect the physical qualities of objects. The obtained models are compared with the observational constraints for neutron stars PSR J1810+174, PSR J1959+2048, and PSR J2215+5135, including GW190814. Particularly, by modifying parameters α and n, the occurrence of a “mass gap” component is accomplished. The resulting models exhibit stable, well‐behaved mass profiles, regular behavior and no gravitational collapse, as verified by the Buchdahl–Andréasson's limit. Furthermore, a thorough physical analysis that is based on two parameters: n (f(Q, T)–coupling parameter) and α (decoupling parameter) is provided. This work extends our current understanding of compact star configurations and sheds light on the behavior of compact objects in the f(Q, T) gravity.

Constructing ZnIn2S4@WO3·H2O Z-type heterojunction to boost photocatalytic efficiency under visible-light irradiation

In this paper, hexagonal ZnIn2S4 nanoflowers were grown in situ on tetragonal WO3·H2O nanosheets, yielding a compact ZnIn2S4@WO3·H2O (ZIS@WO) core-shell heterojunction. The formation of the ZIS@WO heterojunction was optimized by meticulously adjusting the quantity of WO3·H2O nanosheets incorporated. The crystal structure and microstructure of ZIS@WO were comprehensively examined using XRD, TEM and EDS analyses. The photocatalytic properties of ZIS@WO heterojunctions were evaluated through the degradation of organic pollutants under visible light irradiation. The results demonstrated a marked enhancement in photocatalytic efficiency for the ZIS@WO heterojunction. Further investigation into the separation and transport of photogenerated carriers were performed using PL spectroscopy and photoelectrochemical measurement. Compared to the individual components of ZnIn2S4 nanoflowers and WO3·H2O nanosheets, the ZIS@WO heterojunction creates an internal electric field at the interface, along with a compact core-shell configuration. This internal electric field, in conjunction with the band structure of the heterojunction, effectively accelerates the separation of photogenerated electrons and holes. Additionally, a comprehensive analysis of the photocatalytic degradation mechanisms were presented, elucidating the intricate processes.

A centipede-inspired bonded-type ultrasonic actuator with high thrust force density driven by dual-torsional-vibration-induced flexural traveling waves

This paper presents an ultrasonic actuator with high thrust force density driven by dual-torsional-vibration-induced flexural traveling waves. Here, the PZT plates are bonded onto a duralumin vibrating body in a block shape to accomplish a compact configuration and they operate in the 2nd torsional vibrations, whose strong electromechanical coupling effect facilitates the enhancement of the driving force. Interestingly, the operating principle somewhat imitates the movement pattern of the centipede’s feet. To test the validity, first, by using a Mason-equivalent-circuit-based dynamic model, several key dimensions were tuned to increase the driving-force-to-weight ratio. Meanwhile, the driving feet’s configurations are adjusted based on a kinetic model to make the elliptical motion shape close to a circle. Then, an actuator prototype with the size of 48 × 47 × 6 mm3 and the weight of 29 g was fabricated and the moving/loading/positioning performance was evaluated. When the actuator adopts a continuous operation, its maximal sliding speed reached 630 mm/s at the frequency of 24.95 kHz. Moreover, it yielded the maximal thrust force and the maximal output power of 4.38 N and 527.8 mW, corresponding to the thrust force density and the power density of 151.2 N/kg and 18.2 W/kg, respectively. In a stepping operation, the minimal step displacement was 0.91 μm. These results demonstrate that the dual-torsional-vibrations-induced traveling wave allows the actuator to produce the high thrust force density and provides a new actuating principle to design powerful ultrasonic actuators.