bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical mechanism behind the higher efficiency of O than OH radicals in polypropylene surface modification: a molecular dynamics study
Authors: Du Hao , Sato Masahiro , Komuro Atsushi , Ono Ryo 
Published: January 2024

Abstract
O and OH radicals are the most important reactive oxygen species in the plasma treatment of polymer surfaces. In our previous studies, we found that the modification efficiency of polypropylene (PP) surface by O radicals was approximately four times higher than that by OH radicals. This observation contrasts with the well-established fact that the chemical reactivity of O radicals with saturated hydrocarbons (C
n
H2(n + 1)) is 50–60 times lower than that of OH radicals. In this study, classical molecular dynamics simulations with a reactive force field were used to explain this contradiction. The results showed that the surface modification of PP by O or OH radicals is a Langmuir–Hinshelwood process. Both O and OH radicals penetrated the bulk PP, that is, physical adsorption occurred before the chemical reactions. The penetration depth of O radicals was greater than that of OH radicals. Compared to the case of OH radicals, alkoxy radicals (RO·) are more readily formed upon the interactions of the PP surface with O radicals. Furthermore, the β-scission (splitting of the C–C bonds) of RO· can be accelerated by the physically adsorbed O radicals, leading to earlier breakage of PP chains. The improved efficiency of the surface modification of PP upon exposure to O radicals, in contrast to that of OH radicals, can be attributed to the differences in the above three crucial processes. These findings are significant for modelling and understanding the mechanisms of plasma-polymer surface treatment at the atomic and molecular levels.
Modeling mechanical waves propagation in flexoelectric solids
Authors: Zhou Haiyang , Tian Xinpeng , Deng Qian , Sladek Jan , Sladek Vladimir 
Published: January 2024

Abstract
In this paper, the propagation of mechanical waves in flexoelectric solids with the consideration of both the direct and converse flexoelectric effects is studied via a collocation mixed finite element method (MFEM). The dynamic effects associated with mechanical waves propagation are accounted by introducing the kinetic energy in the Hamilton’s principle. In the proposed collocation MFEM, a quadratic polynomial is independently assumed for each component of the mechanical strain and electric field. The independently assumed mechanical strain and electric field are collocated with their counterparts computed from the displacement and electric potential at 9 Gaussian quadrature points. Thus, except for the fundamental field variables, no additional degrees of freedom (DOFs) are introduced. By performing the numerical experiments using the collocation MFEM, it is found that due to the direct flexoelectric effect, the propagation of mechanical waves can result in electric polarization in materials. Besides, the converse flexoelectric effect can induce mechanical waves when there are non-uniform transient electric field applied to the material. Numerical results indicate that by increasing the loading speed of the time varying mechanical displacement load, the direct flexoelectric effect associated with the mechanical strain gradient could be significantly enhanced.
Rigid-flexible coupled origami robots via multimaterial 3D printing
Authors: Xue Wenbo , Sun Zechu , Ye Haitao , Liu Qingjiang , Jian Bingcong , Wang Yanjie , Fang Hongbing , Ge Qi 
Published: January 2024

Abstract
Soft robots have significant advantages in flexibility and adaptability and have potential applications in the field of engineering. Unlike traditional manufacturing methods, three-dimensional (3D) printing provides a fast way to fabricate customized and multi-functional robots. However, the fabrication of soft robots requires multimaterial printers and the high-accuracy multi-step assembly process. Among them, fused deposition modeling (FDM) technology has taken the lead compared to other 3D printing methods due to its ease of use, accuracy, and repeatability. However, the FDM multimaterial printing has not been thoroughly explored. Here, we proposed a rigid and flexible material integrated printing approach based on FDM 3D printing technology and reported a cable-driven flexible pipe robot based on Yoshimura origami crease patterns. The implementations show that the robot can realize four-direction bending effectively by the corresponding drive control, which indicates the feasibility of our design and manufacturing method. The proposed approach paves an effective way to design and fabricate the rigid-flexible robot and other devices in the future.
Enhancement of superconductivity by organic flexible substrates in NbSe2 thin flakes
Authors: Jiang Da , Chen Bingxin , Liu Yixin , Peng Wei , Li Wei , An Zhenghua , Mu Gang 
Published: January 2024

Abstract
The regulation of superconductivity is of great significance in basic physics and device applications. Typically superconductivity can be tuned by chemical doping, gate voltage, and pressure. The interaction between superconductivity and substrates in low-dimensional systems is concerned in recent years, but a systematic and in-depth investigation is still lacking. Here we report a systematic study concerning the influence of substrates on the performance of superconductivity in NbSe2 thin flakes. It is found that the superconducting critical temperature Tc
can be enhanced when the organic flexible substrates are adopted, as compared with that using the inorganic rigid substrates. Such an enhancement is more distinct under the applied magnetic fields. The analysis combined with Raman scattering experiments shows that the improvement of superconductivity is closely related to the softening of

E

2
g

1

phonon mode, pointing out the most possible mechanism for the effect of substrates on superconductivity. Meanwhile, the involvement of organic substrate also enhances the wave number of the charge-density-wave related soft mode.
Quantum homogenization in non-Markovian collisional model
Authors: Saha Tanmay , Das Arpan , Ghosh Sibasish 
Published: January 2024

Abstract
Collisional models are a category of microscopic framework designed to study open quantum systems. The framework involves a system sequentially interacting with a bath comprised of identically prepared units. In this regard, quantum homogenization is a process where the system state approaches the identically prepared state of bath unit in the asymptotic limit. Here, we study the homogenization process for a single qubit in the non-Markovian collisional model framework generated via additional bath-bath interaction. With partial swap operation as both system-bath and bath-bath unitary, we numerically demonstrate that homogenization is achieved irrespective of the initial states of the system or bath units. This is reminiscent of the Markovian scenario, where partial swap is the unique operation for a universal quantum homogenizer. On the other hand, we observe that the rate of homogenization is slower than its Markovian counter part. Interestingly, a different choice of bath-bath unitary speeds up the homogenization process but loses the universality, being dependent on the initial states of the bath units.
Ultrafast spin dynamics in magnetic trimer and tetramer clusters: a step towards prototypic spin-SHIFT registers
Authors: Lefkidis G , Chaudhuri D , Jin W , Li C , Dutta D , Hübner W 
Published: January 2024

Abstract
Ultrafast magnetic dynamics is a necessary ingredient for magnetic recording and ultrafast information processing. The shift functionality, although not mandatory for Boolean logic, is always implemented in CMOS CPUs and therefore must be also present in magnetic logic. In this respect, using ab initio calculations we show ultrafast spin dynamics in molecular clusters such as Co3
+CO and Ni4. In this work, we establish that clusters with magnetic atoms can provide a theoretical toolbox for efficient spin charge dynamics whose operation time can range up to a few picoseconds. The prime underlying mechanism for all spin manipulation scenarios in the above mentioned clusters are laser-induced Λ processes where the laser parameters are fully optimized using a genetic algorithm. In general, a structural asymmetry enforces substantial spin localization on the active centers of both magnetic clusters. Keeping in mind the shift functionality, we theoretically suggest a series of spin-transfer scenarios between the Co and Ni atoms in each of these two clusters independently to construct a 3-bit and a 4-bit cyclic spin-SHIFT register, respectively. The maximum operational time for both logic devices is 2 ps, which is much faster than the response time of conventional spintronic devices. Additionally, for a better understanding of the transfer cycles, their feasibility and reversibility are also investigated through the analysis of the optical spectra of the related states. Our results provide important theoretical guidance for ultrafast spin manipulation in molecular structures as well as their potential spin functionality, and thus step closer to the realization of future spin-based logic devices and quantum computation. This effectively motivates the investigation and precise establishment of the shift functionality in magnetic trimers and tetramers.
Wideband and wide-angle reflective metasurface for efficient linear and circular polarization conversion in X, Ku, and K bands
Authors: Ahmad Munzza , Qureshi Ubaid Ur Rahman , Liu Juan , Li Jingnan 
Published: January 2024

Abstract
A single-layer wideband and wide-angle reflective metasurface exhibiting linear to cross-polarization conversion (CPC) and linear-to-circular polarization (LP-to-CP) conversion in the X, Ku, and K bands is presented in this research. The devised metasurface serves as a multifunctional platform, achieving CPC over a substantial fractional bandwidth of 64.34% (9.75–19 GHz) with remarkable efficiency exceeding 90% within the 9.75–16 GHz range, reaching a remarkable 100% at resonant frequencies of 11 GHz and 14.6 GHz. Additionally, linear-to-circular polarization conversion is achieved over a significant bandwidth of 9.54 GHz. Notably, the carefully optimized unit cell structure ensures robust polarization transformation, maintaining stability against variations in the incidence angle of up to 45° for both transverse-electric (TE) and transverse-magnetic (TM) polarizations. The proposed metasurface, characterized by its simplicity, compactness, angular stability, and multifunctionality, demonstrates the considerable potential for various microwave communications, antenna design, radar invisibility, and remote sensing device applications.
Cluster shift keying: covert transmission of information via cluster synchronization in chaotic networks
Authors: Sarı Zekeriya , Günel Serkan 
Published: January 2024

Abstract
A network of chaotic systems can be designed in such a way that the cluster patterns formed by synchronous nodes can be controlled through the coupling parameters. We present a novel approach to exploiting such a network for covert communication, where controlled clusters encode symbols spatio-temporally. The cluster synchronization network is divided into two subnetworks: transmitter and receiver. First, we specifically design the network with controlled parameters in the transmitter. Second, we ensure that the nodes of the links connecting the transmitter and receiver are not in the same clusters for all the control parameters. The former condition ensures that the control parameters changed at the transmitter change the whole clustering scheme. The second condition enforces that the transmitted signals are always continuous and chaotic. Hence, the transmitted signals are not modulated by the information directly but distributed over the links connecting the subnetworks. Without knowing the network topology, the information cannot be deciphered by eavesdropping on the channel links. The performance has been assessed by extensive simulations of bit error rates under noisy channel conditions.
Electronic structure of ground and low-lying excited states of BaLi+ molecular ion: spin-orbit effect, radiative lifetimes and Franck-Condon factor
Authors: Akkari Sana , Zrafi Wissem , Ladjimi Hela , Bejaoui Mohamed , Dhiflaoui Jamila , Berriche Hamid 
Published: January 2024

Abstract
The study of BaLi+ and its reactivity plays a crucial role in advancing our understanding of chemical bonding or reaction mechanisms. The aim of this work is to represent a complete and extended theoretical study of BaLi+ molecular ion including ground and highly excited electronic states of 1,3Σ, 1,3Π and 1,3Δ symmetries, dissociated to the first seven dissociation limits. The corresponding potential energy curves (PECs), permanent and transition dipole moments have been investigated. These calculations were performed using the multireference configuration interaction (MRCI) method in combination with optimized basis sets and non-empirical pseudopotentials (ECP) for both Ba and Li atoms. Afterwards, the spin–orbit (SO) operator is incorporated in valence MRCI calculation using optimized relativistic spin–orbit pseudopotentials and 16 Ω states are generated and splitted into Λ-S states. The SO effect gives rise to a more complicated structure of electronic states presented in PEC and permanent and transition dipole moments. Nonadiabatic coupling matrix elements between the five lowest 1Σ+ states are also presented for the nonrelativistic results. Based on the vibrational radiative lifetime and Franck–Condon calculation, the possibilities of laser cooling of this system have been also discussed.
The role of isotope mass on neutral fueling and density pedestal structure in the DIII-D tokamak
Authors: Chaban R.A. , Mordijck S. , Rosenthal A.M. , Bortolon A. , Hughes J.W. , Knolker M. , Laggner F.M. , Osborne T.H. , Schmitz L. , Thome K.E. , Wilks T.M. 
Published: January 2024

Abstract
Experimental measurements on DIII-D of hydrogen neutral penetration lengths (

λ

n
0

) on the high field side (HFS) are longer by a factor of

2

than for deuterium consistent with the thermal velocity ratio for neutrals at the same temperature

(

v

t
h

H

/

v

t
h

D

=

2

)

. This ratio is constant for both low and high pedestal electron density. At low pedestal density

(

n
e

∼
4
×

10

19

m

−
3

)

, the neutral penetration length is greater than the density pedestal width for both isotopes, and the additional 40% increase of neutral penetration in hydrogen widens the pedestal by the same amount. As the density pedestal height increases

(

n
e

∼
6
×

10

19

m

−
3

)

, the neutral penetration lengths drop below the density pedestal widths for both isotopes, and the increased penetration of hydrogen has no increased effect on the pedestal width compared to deuterium. Extrapolating to future reactor-relevant high electron density pedestals, the isotope-mass change in neutral fueling on the HFS from the deepest neutral penetration of hydrogen, to the shortest neutral penetration of tritium will be negligible (0.2–0.4 cm) in comparison to estimates of the density pedestal width (6–8.5 cm).
Bleustein-Gulyaev waves in topological piezoelectric crystals
Authors: Rojas Vallecilla David Fernando , Granada Echeverri Juan Carlos 
Published: January 2024

Abstract
A topological insulator with piezoelectric properties is considered, and an action is proposed to find the equations of motion and the constitutive relations of the generalized coordinates of electrodynamic and elastic origin, paying special attention to the restructuring induced by the topological properties. The results are used to demonstrate that the electromechanical factor of the Bleustein-Gulyaev waves on the surface of a topological piezoelectric crystal of class

C

6
v

in contact with vacuum undergoes a second-order correction in the fine structure constant, associated with the topological properties.
Active matrix-based pressure sensor system with a 4 × 16 printed decoder designed with a flexible hybrid organic process design kit
Authors: Gupta Palak , Lukosiunas Justas , Marques Gabriel Cadilha , Raths Sebastian , Stehlin Sebastian , Schlisske Stefan , Exner Kai , Strunk Karl-Phillip , Melzer Christian , Erk Peter , Mittermaier Josef , Klotz Anton , Aghassi-Hagmann Jasmin 
Published: January 2024

Abstract
The innovative field of printed sensor with a demand for high accuracy, sensitivity and durability has enabled a wide application area in sensing, healthcare etc. A large-area printed sensor system on a flexible foil substrate emplying p-type organic field-effect transistors (OFETs) is presented. Thereby, the OFET is fabricated through a hybrid manufacturing process, including photolithographically structured source- and drain-electrodes, ink-jet printed organic semiconductor, and spin-coated dielectric. Moreover, a dedicated device model, derived from the variable range hopping model, is developed and integrated together with process related design rules, materials properties and geometric information into a comprehensive process design kit (FH_OPDK). The FH_OPDK is integrated in a commercial electronic design automation tool and is used to design and perform post-layout simulations on logic gates, such as INV, NAND2, and NOR2 as well as circuitry such as ring oscillators and a 4 × 16 digital decoder. Several circuit topologies have been tested and evaluated in a detailed model-hardware correlation analysis. Finally we have optimized logic gates and the decoder in a PMOS only, pseudo CMOS design style. To demonstrate the feasibility of the full sensor system in hardware a 16 × 16 active matrix pressure sensor on a flexible substrate integrated with a 4 × 16 binary decoder was fabricated and tested. We have integrated our flexible hybrid sensor system with a PCB board and a microcontroller to demonstrate the hardware readout platform capable of detecting the weight of objects and visualizing a digital map of applied forces.
Disutility of climate change damages may warrant much stricter climate targets
Authors: Kulkarni Shridhar , Hof Andries , van der Wijst Kaj-Ivar , van Vuuren Detlef 
Published: January 2024

Abstract
Cost-benefit integrated assessment models (IAMs) inform the policy deliberation process by determining cost-optimal greenhouse gas emission reduction pathways based on economic considerations. These models seek to maximise economic utility and treat estimates of climate impacts (damages) and mitigation costs at par as GDP losses, having the same impact on utility reduction. However, prospect theory suggests that a certain level of climate damages could be valued higher by society than the same level of mitigation costs, as climate damages often occur as sudden unexpected events. In this paper, we show how this concept could be taken into account in cost-benefit IAMs and explore possible consequences on optimal mitigation pathways. Our results suggest that compared to the standard utility approach, capturing explicit aversion to climate impact incidence shows optimal pathways with earlier and deeper emission reduction, lowering both net-negative emissions and mid-century temperature peaks in line with stringent Paris Agreement targets.
Effectiveness of poly(methyl methacrylate) spray encapsulation for perovskite solar cells
Authors: Hughes Declan , Spence Michael , Thomas Suzanne K , Apanavicius Rokas , Griffiths Chris , Carnie Matthew J , Tsoi Wing C 
Published: January 2024

Abstract
For commercial applications, Perovskite Solar Cells (PSCs) need to be well encapsulated to improve long term stability. The most common method, glass-glass encapsulation, uses edge sealant materials to encapsulate the device between sheets of glass. Glass-Glass encapsulation, while providing provide adequate protection from the ambient environment, limits the use of flexible substrates for thin film solar cells due to its rigidity. Additionally, the added weight of glass encapsulation reduces the specific power (W kg−1) of PSCs, which is an important factor when designing solar cells for aerospace applications. Here we demonstrate that commercially available acrylic spray encapsulation offers efficient and robust stability for PSCs. It is shown that applying the encapsulation via this method does not degrade the PSCs, unlike other literature and glass-glass encapsulation methods. Additionaly, it is shown that 1 coat of acrylic spray encapsulation has an effective thickness of ∼1.77 µm and a weight of ∼6 mg. For stability measurements, PSCs with an acrylic coating show a 4% increase in performance after ∼730 h under dark storage conditions and retain 88% of their initial power conversion efficiency after 288 h under 85% relative humidity 25 °C. We anticipate our assay to be a starting point for further studies into spray encapsulation materials and methods not just for terrestial applications, but for aerospace applications as well.
A multiscale characterization of cortical shape asymmetries in early psychosis
Authors: Chen Yu-Chi , Tiego Jeggan , Segal Ashlea , Chopra Sidhant , Holmes Alexander , Suo Chao , Pang James C , Fornito Alex , Aquino Kevin M 
Published: January 2024

Abstract
Psychosis has often been linked to abnormal cortical asymmetry, but prior results have been inconsistent. Here, we applied a novel spectral shape analysis to characterize cortical shape asymmetries in patients with early psychosis across different spatial scales. We used the Human Connectome Project for Early Psychosis dataset (aged 16–35), comprising 56 healthy controls (37 males, 19 females) and 112 patients with early psychosis (68 males, 44 females). We quantified shape variations of each hemisphere over different spatial frequencies and applied a general linear model to compare differences between healthy controls and patients with early psychosis. We further used canonical correlation analysis to examine associations between shape asymmetries and clinical symptoms. Cortical shape asymmetries, spanning wavelengths from about 22 to 75 mm, were significantly different between healthy controls and patients with early psychosis (Cohen’s d = 0.28–0.51), with patients showing greater asymmetry in cortical shape than controls. A single canonical mode linked the asymmetry measures to symptoms (canonical correlation analysis r = 0.45), such that higher cortical asymmetry was correlated with more severe excitement symptoms and less severe emotional distress. Significant group differences in the asymmetries of traditional morphological measures of cortical thickness, surface area, and gyrification, at either global or regional levels, were not identified. Cortical shape asymmetries are more sensitive than other morphological asymmetries in capturing abnormalities in patients with early psychosis. These abnormalities are expressed at coarse spatial scales and are correlated with specific symptom domains.