bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design and analysis of personalized serious games for information literacy: catering to introverted and extraverted individuals through game elements
Authors: Thongthip Phimphakan , Intawong Kannikar , Chernbumroong Suepphong , Worragin Perasuk , Tongpaeng Yootthapong , Puritat Kitti 
Published: June 2024

AbstractPersonalized learning has become increasingly prevalent in computer-based education. Nevertheless, there remains a scarcity of studies addressing personalized serious games. This paper delves into a study on a personalized serious game that utilizes suitable game elements tailored to students’ personality traits, focusing on the dimensions of introversion and extraversion. To evaluate the impact of personalized serious games, a comparative experiment was conducted. The study involved both a Control group (Non-personalized game-based approach) and an Experimental group (Personalized game-based approach). Participants were assessed using pre-post tests measuring knowledge acquisition and retention in information literacy for source evaluation, as well as intrinsic motivation measured through the IMI questionnaire. The findings indicate that while personalized serious games can enhance intrinsic motivation, particularly in terms of perceived competence and effort, they did not significantly impact knowledge acquisition and retention. User behavior data statistics revealed a substantial 37% improvement in engagement, measured by both average and total playtime, especially noticeable among introverted participants. However, this personalized approach was found to be less effective for extraverted participants.
Relaxation of the 2a1 ionized water dimer: An interplay of intermolecular Coulombic decay (ICD) and proton transfer processes
Authors: Kumar Ravi , Ghosh Aryya , Vaval Nayana 
Published: June 2024

This article investigates the relaxation dynamics of the ionized 2a1 state of a water molecule within a water dimer. The study was motivated by findings from two previous pieces of research that focused on the relaxation behaviors of the inner-valence ionized water dimer. The present study discloses an observation indicating that water dimers display specific fragmentation patterns following inner-valence ionization, depending on the position of the vacancy. Vacancies were created in the 2a1 state of the proton-donating water molecule (PDWM) and proton-accepting water molecule (PAWM). Utilizing Born–Oppenheimer molecular dynamics simulations, the propagation of the 2a1 ionized state was carried out for both scenarios. The results revealed proton transfer occurred when the vacancy resided in the PDWM, accompanied by the closing of decay channels for O–H bond distance (RO–H) &gt; 1.187 Å (matching Richter et al.’s findings). Conversely, when vacancy was on PAWM, we observed no closing of decay channels (aligning with Jahnke et al.’s findings). This difference translates to distinct fragmentation pathways. In PDWM cases, 2a1 state ionization leads to H3O+ −OH• formation. In contrast, PAWM vacancies result in decay pathways leading to H2O+–H2O+ products.
Conceptual design of a macromolecular diffractometer for the Jülich high brilliance source
Authors: Ma Z. , Lieutenant K. , Voigt J. , Schrader T. E. , Gutberlet T. 
Published: June 2024

In this work, a concept for a neutron diffractometer for high-resolution macromolecular structures has been developed within the Jülich High Brilliance Neutron Source (HBS) project. The SELENE optics are adapted to the requirements of the instrument to achieve a tunable low background neutron beam at mm2 scale sample area. With the optimized guide geometry, a low background neutron beam can be achieved at the small sample area with tunable divergence and size. For the 1 × 1 mm2 sample, a flux of 1.10 × 107 n/s/cm2 for 0.38° divergence is calculated in the 2–4 Å wavelength range, which is about 84.6% of the flux at MaNDi of the high-power spallation source SNS at ORNL. Virtual neutron scattering experiments have been performed to demonstrate the instrument’s capabilities for studies of mm scale samples with large unit cells. Results of Vitesse simulations indicate that unit cell sizes of up to 200 Å are possible to be resolved with the proposed instrument.
Unusual species of methane hydrate detected in nanoporous media using solid state 13C NMR
Authors: Alavi Saman , Moudrakovski Igor L. , Ratcliffe Christopher I. , Ripmeester John A. 
Published: June 2024

Methane is considered to be a cubic structure I (CS-I) clathrate hydrate former, although in a number of instances, small amounts of structure II (CS-II) clathrate hydrate have been transiently observed as well. In this work, solid-state magic angle spinning 13C NMR spectra of methane hydrate formed at low temperatures inside silica-based nanoporous materials with pores in the range of 3.8–20.0 nm (CPG-20, Vycor, and MCM-41) show methane in several different environments. In addition to methane encapsulated in the dodecahedral 512 (D) and tetrakaidecahedral 51262 (T) cages typical of the CS-I clathrate hydrate phase, methane guests in pentakaidecahedral 51263 (P) and hexakaidecahedral 51264 (H) cages are also identified, and these appear to be stabilized for extended periods of time. The ratio of methane guests among the D and T cages determined from the line intensities is significantly different from that of bulk CS-I samples and indicates that both CS-I and CS-II are present as the dominant species. This is the first observation of methane in P cages, and the possible structures in which they could be present are discussed. Broad and relatively strong methane peaks, which are also observed in the spectra, can be related to methane dissolved in an amorphous component of water adjacent to the pore walls. Nanoconfinement and interaction with the pore walls clearly have a strong influence on the hydrate formed and may reflect species present in the early stages of hydrate growth.
Latent-to-sensible heat conversion kinetics during nanoparticle coalescence
Authors: Ojha Abhilash , Tamadate Tomoya , Hogan, Christopher J. 
Published: June 2024

Coagulational growth in an aerosol is a multistep process; first particles collide, and then they coalesce with one another. Coalescence kinetics have been investigated in numerous prior studies, largely through atomistic simulations of nanoclusters (102–104 atoms). However, with a few exceptions, they have either assumed the process is completely isothermal or is a constant energy process. During coalescence, there is the formation of new bonds, decreasing potential energy, and correspondingly increasing internal kinetic (thermal) energy. Internal kinetic energy evolution is dependent not only on coalescence kinetics but also on heat transfer to the surrounding gas. Here, we develop and test a model of internal kinetic energy evolution in collisionally formed nanoclusters in the presence of a background gas. We find that internal kinetic energy dynamics hinge upon a power law relationship describing latent-to-sensible heat release as well as a modified thermal accommodation coefficient. The model is tested against atomistic models of 1.5–3.0 nm embedded-atom gold nanocluster sintering in argon and helium environments. The model results are in excellent agreement with the simulation results for all tested conditions. Results show that nanocluster effective temperatures can increase by hundreds of Kelvin due to coalescence, but that the rise and re-equilibration of the internal kinetic energy is strongly dependent on the background gas environment. Interestingly, internal kinetic energy change kinetics are also found to be distinct from surface area change kinetics, suggesting that modeling coalescence heat release solely due to surface area change is inaccurate.
Investigating H-atom reactions in small PAHs with imperfect aromaticity: A combined experimental and computational study of indene (C9H8) and indane (C9H10)
Authors: Schneiker A. , Góbi S. , Ragupathy G. , Keresztes B. , Bazsó G. , Tarczay G. 
Published: June 2024

Polycyclic aromatic hydrocarbons (PAHs) are widely recognized as catalysts for interstellar H2 formation. Extensive exploration into the catalytic potential of various PAHs has encompassed both theoretical investigations and experimental studies. In the present study, we focused on studying the reactivity of an imperfect aromatic molecule, indene (C9H8), and its hydrogenated counterpart, indane (C9H10), as potential catalysts for H2 formation within the interstellar medium. The reactions of these molecules with H atoms at 3.1 K were investigated experimentally using the para-H2 matrix isolation technique. Our experimental results demonstrate that both indene and indane are reactive toward H atoms. Indene can participate in H-atom-abstraction and H-atom-addition reactions, whereas indane primarily undergoes H-atom-abstraction reactions. The H-atom-abstraction reaction of indene results in the formation of the 1-indenyl radical (R1) (C9H7) and H2 molecule. Simultaneously, an H-atom-addition reaction forms the 1,2-dihydro-indene-3-yl radical (R2) (C9H9). Experiments also reveal that the H-atom-abstraction reaction of indane also produces the R2 radical. To the best of our knowledge, this study represents the first reporting of the infrared spectra of R1 and R2 radicals. The experimental results, combined with theoretical findings, suggest that indane and indene may play a role in the catalytic formation of interstellar H2. Furthermore, these results imply a quasi-equilibrium between the investigated molecules and the formed radicals via H-atom-addition and H-atom-abstraction reactions.
Ion velocity effect governs damage annealing process in defective KTaO3
Authors: Velişa G , Iancu D , Zarkadoula E , Tong Y , Zhang Y , Weber W J 
Published: June 2024

Abstract
Effects of electronic to nuclear energy losses (S
e/S
n) ratio on damage evolution in defective KTaO3 have been investigated by irradiating pre-damaged single crystal KTaO3 with intermediate energy O ions (6 MeV, 8 MeV and 12 MeV) at 300 K. By exploring these processes in pre-damaged KTaO3 containing a fractional disorder level of 0.35, the results demonstrate the occurrence of a precursory stage of damage production before the onset of damage annealing process in defective KTaO3 that decreases with O ion energy. The observed ionization-induced annealing process by ion channeling analysis has been further mirrored by high resolution transmission electron microscopy analysis. In addition, the reduction of disorder level is accompanied by the broadening of the disorder profiles to greater depth with increasing ion fluence, and enhanced migration is observed with decreasing O ion energy. Since S
e (∼3.0 keV nm−1) is nearly constant for all 3 ion energies across the pre-damaged depth, the difference in behavior is due to the so-called ‘velocity effect’: the lower ion velocity below the Bragg peak yields a confined spread of the electron cascade and hence an increased energy deposition density. The inelastic thermal spike calculation has further confirmed the existence of a velocity effect, not previously reported in KTaO3 or very scarcely reported in other materials for which the existence of ionization-induced annealing has been reported. In other words, understanding of ionization-induced annealing has been advanced by pointing out that ion velocity effect governs the healing of pre-existing defects, which may have significant implication for the creation of new functionalities in KTaO3 through atomic-level control of microstructural modifications, but may not be limited to KTaO3.
Magneto-transport and thermoelectric studies of antiperovskite semimetal: Mn3SnC
Authors: Gangwar Sunil , Bagga Sonika , Yadav C S 
Published: June 2024

Abstract
We explore the magnetotransport and thermoelectric (Seebeck and Nernst coefficients) properties of Mn3SnC, an antiperovskite magnetic Nodal line semimetal. Mn3SnC shows paramagnetic (PM) to concurrent antiferromagnetic (AFM)/ferromagnetic (FM) transition at T ∼ 286 K. The electrical resistivity and Seebeck coefficient indicate the importance of electron–magnon scattering in the concurrent AFM/FM regime. We observed a large positive magnetoresistance (MR) of ∼8.2 at 8 T field near magnetic transition, in the otherwise negative MR behaviour for low temperatures. The electrical resistivity and MR show a weak thermal hysteresis around the boundary of transition temperature and the width of hysteresis decreases as magnetic field increases. Interestingly the Hall and Seebeck coefficients change sign from positive to negative below the transition temperature, highlighting the different scattering for holes and electrons in this multi-band system. The Seebeck and Nernst signal exhibit two sharp anomalies; one at the transition temperature and another at ∼50 K. The anomaly at magnetic transition in the Nernst signal disappear at 8 T magnetic field, owing to the reduction of magnetic fluctuation. A pseudo-gap near the Fermi level produces an upturn with a broad minimum in the Seebeck signal.
Object and person tracking systems to enable extremity dosimetry in nuclear medicine using computational methods
Authors: Rondón Daniel Santiago , Lombardo Pasquale , Abdelrahman Mahmoud , Struelens Lara , Vanhavere Filip , Bergans Niki 
Published: June 2024

Abstract
Nuclear medicine (NM) professionals are potentially exposed to high doses of ionising radiation, particularly in the skin of the hands. Ring dosimeters are used by the workers to ensure extremity doses are kept below the legal limits. However, ring dosimeters are often susceptible to large uncertainties, so it is difficult to ensure a correct measurement using the traditional occupational monitoring methods. An alternative solution is to calculate the absorbed dose by using Monte Carlo simulations. This method could reduce the uncertainty in dose calculation if the exact positions of the worker and the radiation source are represented in these simulations. In this study we present a set of computer vision and artificial intelligence algorithms that allow us to track the exact position of unshielded syringes and the hands of NM workers. We showcase a possible hardware configuration to acquire the necessary input data for the algorithms. And finally, we assess the tracking confidence of our software. The tracking accuracy achieved for the syringe detection was 57% and for the hand detection 98%.
The difficulty of nuclear emergency prevention measures during natural disasters: ongoing challenges in Japan
Authors: Yamamura Momoka , Saito Yoshika , Nonaka Saori , Sawano Toyoaki , Matsumoto Chihiro , Ozaki Akihiko , Yamamoto Chika , Zhao Tianchen , Saito Hiroaki , Kosaka Makoto , Abe Toshiki , Tsubokura Masaharu 
Published: June 2024

Abstract
It is crucial to anticipate nuclear emergency scenarios and implement effective measures. Japan’s climate and topography make it vulnerable to natural disasters; thus, it is necessary to address compounding and cascading disaster scenarios involving the simultaneous occurrence of natural and nuclear disasters. On 1 January 2024, an earthquake hit the Noto region of Ishikawa Prefecture, resulting in damage to the area around the Shika Nuclear Power Plant, located 90 km from the epicenter. This earthquake revealed that, in the event of a complex disaster, it is possible that residents living within 30 km of the Shika Nuclear Power Plant will be completely unprepared for a nuclear disaster. In the event of a complex disaster, it is crucial to implement appropriate countermeasures while balancing responses to both nuclear and natural disasters and optimizing radiation disaster prevention measures.
Atomistic study of intermetallics of Fe–Al–Zn system and their interfacial properties
Authors: Chen Kefan , Mun Sungkwang , Baskes Michael , Horstemeyer Mark , Li Bin 
Published: June 2024

Abstract
Galvanizing is an important industrial process to improve the corrosion resistance of advanced high strength steels (AHSSs) that are vital for automotive industries. During galvanizing, nanoscale intermetallic phases with complex crystal structures are formed at the interface between the steel substrate and the zinc overlay. To better understand the nanoscale structures and the interfacial properties between the intermetallics, in this work, we develop a second nearest neighbor (2NN) Fe–Al–Zn ternary Modified Embedded Atom Method (MEAM) potential to describe the crystal structures of the intermetallics, i.e. Fe3Al8, Fe4Zn9 and FeZn13 and to calculate the interfacial structure and energy between them. The developed MEAM potential describes well the complex crystal structures and can be used to investigate the interfacial properties that are difficult to obtain from experiments. The Fe4Zn9, FeZn13 surface energies; the Fe–Fe4Zn9, Fe–FeZn13, Fe3Al8–FeZn13 interfacial energies; and the work of adhesion are calculated with the developed MEAM potential. The results show that FeZn13 crystal orientation has an insignificant effect on the FeZn13 surface energy and the Fe–FeZn13 interfacial energy. A negative interfacial energy is obtained for the Fe–Fe4Zn9 and the Fe–FeZn13 interface. The lowest interfacial energy is obtained in the {100}Fe case. The interfacial energy of Fe3Al8–FeZn13 depends on the surface termination of Fe3Al8 and FeZn13. A low interfacial energy is obtained when the surface termination of Fe3Al8 and FeZn13 are both Fe rich. In contrast, when the surface termination of Fe3Al8 is Al rich or the surface termination of FeZn13 is Zn rich, no low energy, stable interface can be formed between the two phases.
Two-stage feature selection for machine learning-aided DFT-based surface reactivity study on single-atom alloys
Authors: Ordillo Viejay Z , Shimizu Koji , Putungan Darwin B , Santos-Putungan Alexandra B , Watanabe Satoshi , de Leon Rizalinda L , Ocon Joey D , Pilario Karl Ezra S , Padama Allan Abraham B 
Published: June 2024

Abstract
This paper presents a feature-centric strategy for predicting adsorption energies of key CO2 reduction reaction (CO2RR) adsorbates, CO and H species, utilizing density functional theory-based calculations for eight adsorption sites and considering alloying effects of nine transition metals at single-atom concentrations. Here, we explore a class of materials consisting of a majority host metal where individual atoms of a different element are dispersed called single-atom alloys (SAA). A total of eight feature selection methods are assessed within Gradient Boosting Regression and Linear Regression models. This study proposes a practical and effective two-stage approach that narrows down the initial 86 features to subsets of 10 and 7 for CO and H adsorption energy predictions, respectively, with the arithmetic mean of valence electrons (VE-am) feature consistently emerging as highly influential, validated through permutation and Shapley additive explanations-based feature importance analyses. The models exhibit robust performance on unseen data, indicating their generalization capability. The findings emphasize VE-am as a potential key machine learning feature for CO2RR on SAA surfaces and underline the effectiveness of the feature-centric approach in understanding feature impacts in machine learning models for CO2RR on SAA systems. Additionally, while other features based on structural, electronic and elemental properties may not individually impact the model significantly, their collective contribution plays a vital role in achieving more accurate adsorption energy predictions.
Site-selective core/shell deposition of tin on multi-segment nanowires for magnetic assembly and soldered interconnection
Authors: Fratto Edward , Wang Jirui , Yang Zhengyang , Sun Hongwei , Gu Zhiyong 
Published: June 2024

Abstract
The field of nanotechnology continues to grow with the ongoing discovery and characterization of novel nanomaterials with unconventional size-dependent properties; however, the ability to apply modern manufacturing strategies for practical device design of these nanoscale structures is significantly limited by their small size. Although interconnection has been previously demonstrated between nanoscale components, such approaches often require the use of expensive oxidation-resistant noble metal materials and time-consuming or untargeted strategies for welded interconnection such as laser ablation or plasmonic resonance across randomly oriented component networks. In this work, a three-segment gold–nickel–gold nanowire structure is synthesized using templated electrodeposition and modified via monolayer-directed aqueous chemical reduction of tin solder selectively on the gold segments. This core/shell nanowire structure is capable of directed magnetic assembly tip-to-tip and along substrate pads in network orientation. Upon infrared heating in a flux vapor atmosphere, the solder payload melts and establishes robust and highly conductive wire–wire joints. The targeted solder deposition strategy has been applied to various other multi-segment gold/nickel nanowire configurations and other metallic systems to demonstrate the capability of the approach. This core/shell technique of pre-loading magnetically active nanowires with solder material simplifies the associated challenges of size-dependent component orientation in the manufacture of nanoscale electronic devices.
Enhancing lyceum physics education with LAB Disc technology: a comparative study
Authors: Sharifov Galib 
Published: June 2024

Abstract
The present study explores the impact of LAB Disc technology on enhancing physics education among gifted ninth-grade students in lyceums. The study employed a quasi-experimental design to examine students’ academic performance and engagement levels in two groups: an experimental group that utilised LAB Discs and a control group that received conventional physics education. To ensure comparability in baseline understanding of the subject, each group consisted of 30 ninth-grade students who were selected based on their academic prowess and enthusiasm for physics. The utilisation of LAB Discs, versatile devices equipped with diverse sensors for instantaneous data gathering and examination, was designed to offer a more engaging and experiential learning encounter. The study’s methodology employed a combination of quantitative and qualitative data collection techniques, including tests, surveys, interviews, and classroom observations. The impact of LAB Disc technology on students’ learning outcomes was assessed using an independent t-test and boxplot visualisation. The results demonstrated a statistically significant enhancement in ninth-grade students’ comprehension and involvement when utilising LAB Disc technology, as evidenced by a t-statistic of 6.522 and a p-value of less than 0.001. The boxplot analysis validated that students in the experimental group exhibited a superior median score and demonstrated greater consistency in their performance. The results emphasise the capacity of interactive educational tools, like LAB Discs, to enhance cognitive abilities and establish a more captivating learning atmosphere in physics classes at the lyceum level.
Determining the refractive index of transparent materials using total internal reflection in teaching experiment
Authors: Luo Duan-bin 
Published: June 2024

Abstract
In this paper, we introduce a three-dimensional demonstration for the refraction and reflection based on total internal reflection of light in transparent media, and discuss the reasons for the formation of circular bright areas and circular shadows, respectively. Then, according to the relationship between the diameter of circular shadows and bright areas, the depth of water, and the thickness of the polymethyl methacrylate plate, we described a teaching experiment based on total internal reflection of light to achieve refractive index measurement of transparent liquids and solids. The refractive index of transparent media measured using this method is in good agreement with reported data.