bluuebunny/crossref_metadata_2025_split huggingface dataset:
From eadig to happy
Authors: Molencki Rafal 
Published: January 2022

Abstract
This chapter discusses the demise of Old English
adjectives of fortune which came to be replaced with some new items of
Germanic origin, in particular Norse-derived happy and Low
German or Flemish lucky. Interestingly, in this semantic
field referring to abstract ideas, English did not take Romance borrowings,
except for fortunate. The adjective happy
was not a direct Scandinavian loanword, but an independent regular late-14th
century native derivation from the originally Norse noun
hap borrowed into English at least two centuries
before. In Middle and Early Modern English some Old English items fell into
disuse (e.g., ēadig) while others underwent major semantic
shifts ((ge)sǣlig and
blīðe). Using the data from several historical
dictionaries of English and the Corpus of Middle English Prose and
Verse, I trace the mechanisms of replacement in the context of
lexical layering, subjectification and contact-induced linguistic
changes.
Lie theory for asymptotic symmetries in general relativity: The BMS group
Authors: Prinz David , Schmeding Alexander 
Published: January 2022

Abstract
We study the Lie group structure of asymptotic symmetry groups in general relativity from the viewpoint of infinite-dimensional geometry. To this end, we review the geometric definition of asymptotic simplicity and emptiness due to Penrose and the coordinate-wise definition of asymptotic flatness due to Bondi et al. Then we construct the Lie group structure of the Bondi–Metzner–Sachs (BMS) group and discuss its Lie theoretic properties. We find that the BMS group is regular in the sense of Milnor, but not real analytic. This motivates us to conjecture that it is not locally exponential. Finally, we verify the Trotter property as well as the commutator property. As an outlook, we comment on the situation of related asymptotic symmetry groups. In particular, the much more involved situation of the Newman–Unti group is highlighted, which will be studied in future work.
Graphene oxide interlayered in binder-free sulfur vapor deposited cathode for lithium–sulfur battery
Authors: Hakimi Mahdieh , Sanaee Zeinab , Ghasemi Shahnaz , Mohajerzadeh Shams 
Published: January 2022

Abstract
The main drawback of lithium–sulfur (Li–S) batteries which leads to a short lifetime, is the shuttle effect during the battery operation. One of the solutions to mitigate the shuttle effect is the utilization of interlayers. Herein, graphene oxide (GO) paper as an interlayer has been implemented between the sulfur cathode fabricated by the vapor deposition process as a binder-free electrode and a separator in a Li–S battery in order to gain a sufficient capacity. The morphological characteristics and electrochemical performance of the fabricated electrode have been investigated. The fabricated battery demonstrates an initial discharge capacity of 1265.46 mAh g−1 at the current density of 100 mA g−1. The coulombic efficiency is obtained to be 88.49% after 40 cycles. The remained capacity for the battery is 44.70% after several cycles at different current densities. The existence of the GO interlayer improves the electrochemical properties of the battery compared to the one with a pure sulfur cathode. The obtained results indicate that after 40 cycles, the capacity retention is 2.1 times more than that of the battery without the GO implementation.
Double-atom catalysts for energy-related electrocatalysis applications: a theoretical perspective
Authors: Wu Donghai , He Bingling , Wang Yuanyuan , Lv Peng , Ma Dongwei , Jia Yu 
Published: January 2022

Abstract
Due to the excellent activity, selectivity, and stability, atomically dispersed metal catalysts with well-defined structures have attracted intensive research attention. As the extension of single-atom catalyst, double-atom catalyst (DAC) featuring with the metal dimer anchored on a suitable substrate has recently emerged as a research focus for the energy-related electrocatalysis reactions. Due to the flexible dual-metal sites and the synergetic effect between the two metal atoms in DACs, there are more possibilities to adjust their geometrical configurations and electronic structures. The wide tunability of the active sites could offer more opportunities to optimize the binding strength of the reaction intermediates and thus the catalytic activity and/or selectivity of chemical reactions. Moreover, the neighboring metal sites provide a platform to perform more complex electrocatalysis reaction involving the chemical bond coupling. This review aims to summarize the recent advance in theoretical research on DACs for diverse energy-related electrocatalytic reactions. It starts with a brief introduction to DACs. Then an overview of the main experimental synthesis strategies of DACs is provided. Emphatically, the catalytic performance together with the underlying mechanism of the different electrocatalytic reactions, including nitrogen reduction reaction, carbon dioxide reduction reaction, oxygen reduction reaction, and oxygen and hydrogen evolution reactions, are highlighted by discussing how the outstanding attributes mentioned above affect the reaction pathway, catalytic activity, and product selectivity. Finally, the opportunities and challenges for the development of DACs are prospected to shed fresh light on the rational design of more efficient catalysts at the atomic scale in the future.
Antisite disorder and phase segregation in Mn2NiSn
Authors: Malik S V , Dias E T , Nigam A K , Priolkar K R 
Published: January 2022

Abstract
A systematic study of crystal structure, local structure, magnetic and transport properties in quenched and temper annealed Ni

2
−
x

Mn

1
+
x

Sn alloys indicate the formation of Mn3Sn type structural defects caused by an antisite disorder between Mn and Sn occupying the Y and Z sublattices of X2YZ Heusler structure. The antisite disorder is caused by the substitution of Ni by Mn at the X sites. On temper annealing, these defects segregate and phase separate into

L

2
1

Heusler and

D

0

19

Mn3Sn type phases.
Thermodynamics, static properties and transport behaviour of fluids with competing interactions
Authors: Perdomo-Pérez Román , Martínez-Rivera Jaime , Palmero-Cruz Norma C , Sandoval-Puentes Miguel A , Gallegos Javier A S , Lázaro-Lázaro Edilio , Valadez-Pérez Néstor E , Torres-Carbajal Alexis , Castañeda-Priego Ramón 
Published: January 2022

Abstract
Competing interaction fluids have become ideal model systems to study a large number of phenomena, for example, the formation of intermediate range order structures, condensed phases not seen in fluids driven by purely attractive or repulsive forces, the onset of particle aggregation under in- and out-of-equilibrium conditions, which results in the birth of reversible and irreversible aggregates or clusters whose topology and morphology depend additionally on the thermodynamic constrictions, and a particle dynamics that has a strong influence on the transport behaviour and rheological properties of the fluid. In this contribution, we study a system of particles interacting through a potential composed by a continuous succession of a short-ranged square-well (SW), an intermediate-ranged square-shoulder and a long-ranged SW. This potential model is chosen to systematically analyse the contribution of every component of the interaction potential on the phase behaviour, the microstructure, the morphology of the resulting aggregates and the transport phenomena of fluids described by competing interactions. Our results indicate that the inclusion of a barrier and a second well leads to new and interesting effects, which in addition result in variations of the physical properties associated to the competition among interactions.
Anharmonic lattice dynamics and thermal transport in type-I inorganic clathrates
Authors: Godse Shravan , Srivastava Yagyank , Jain Ankit 
Published: January 2022

Abstract
The anharmonic phonon properties of type-I filled inorganic clathrates Ba8Ga16Ge30 and Sr8Ga16Ge30 are obtained from the first-principles calculations by considering the temperature-dependent sampling of the potential energy surface and quartic phonon renormalization. Owing to the weak binding of guest atoms with the host lattice, the obtained guest modes undergo strong renormalization with temperature and become stiffer by up to 50% at room temperature in Sr8Ga16Ge30. The calculated phonon frequencies and associated thermal mean squared displacements are comparable with experiments despite the on-centering of guest atoms at cage centers in both clathrates. Lattice thermal conductivities are obtained in the temperature range of 50–300 K accounting for three-phonon scattering processes and multi-channel thermal transport. The contribution of coherent transport channel is significant at room temperature (13% and 22% in Ba8Ga16Ge30 and Sr8Ga16Ge30) but is insufficient to explain the experimentally observed glass-like thermal transport in Sr8Ga16Ge30.
Methodological developments and practice in characterisation of unconventional and legacy waste
Authors: Strand Per , Jefferies Nick , Koma Yoshikazu , Plyer Jo 
Published: January 2022

Abstract
Radioactive waste management requires planned and systematic actions to provide confidence that the entire system, processes and final products will satisfy given requirements for quality. The characterisation process is dependent on setting clear characterisation objectives and gathering the right information to underpin the decisions that need to be taken to manage the waste safely. This paper reviews experience of characterisation of waste generated from past nuclear activities that were not conducted in compliance consistent with current criteria, or from unexpected situations that were not planned for. This experience shows that the development of a reliable and efficient characterisation and categorisation methodology is a common challenge for such wastes, referred to here as unconventional and legacy (UL) waste. Through the activites of the Nuclear Energy Agency Expert Group on the Characterisation of Unconventional and Legacy Waste, consideration has been given to widely used waste stream characterisation procedures and methods that were originally developed primarily for application in conventional decommissioning work. Although they provide a substantial basis for characterisation, there are various additional factors that commonly need to be taken into account in the case of UL waste. By analysing the challenges and lessons learned from a variety of case studies and other international experience, it has been possible to identify opportunities for adaptations and enhancements to these characterisation methologies, and these are set out and explained. The need for integration of waste characterisation with other aspects of strategic planning for UL waste management is discussed, including characterisation to address any non-radiological hazards. The analysed case studies have also highlighted the importance of developing a robust legislative and regulatory framework in parallel with an appropriate waste infrastructure to treat, store and dispose of UL waste. Finally, the basic features of a UL waste characterisation roadmap are presented, including the interactions within a wider UL waste management programme and key areas for further consideration and possible development. It is anticipated such work can be supported by continued international cooperation.
Embedded growth of colorful CsPbX3 (X = Cl, Br, I) nanocrystals in metal-organic frameworks at Room Temperature
Authors: Chen Chen , Nie Lei , Huang Yizhe , Xi Shuang , Liu Xingyue , Zhang Xiwen , Shi Tielin , Liao Guanglan , Liu Shiyuan , Tang Zirong 
Published: January 2022

Abstract
Herein, we develop a novel strategy for preparing all-inorganic cesium lead halide (CsPbX3, X = Cl, Br, I) perovskite nanocrystals (NCs)@Zn-based metal-organic framework (MOF) composites through interfacial synthesis. The successful embedding of fluorescent perovskite NCs in Zn-MOFs is due to the in situ confined growth, which is attributed to the re-nucleation of water-triggered phase transformation from Cs4PbBr6 to CsPbBr3. The controllable synthesis of mixed-halide based composites with various emission wavelength can be achieved by adding the desired amount of halide (Cl or I) salts in the re-nucleation process. More importantly, the anion exchange reaction is inhibited among various composites with different halogen atoms by being trapped in MOFs. Besides, a white light-emitting diode (WLED) is produced using a blue LED chip with the green-emitting and red-emitting composites, which has a color coordinate of (0.3291, 0.3272) and a wide color gamut. This work provides a novel route to achieving perovskite NCs growth in MOFs, which also can be extended to the other NCs embedded in frames as well.
Artificially created interfacial states enabled van der Waals heterostructure memory device
Authors: Xiang Du , Cao Yi , Wang Kun , Han Zichao , Liu Tao , Chen Wei 
Published: January 2022

Abstract
Two-dimensional (2D) interface plays a predominate role in determining the performance of a device that is configured as a van der Waals heterostructure (vdWH). Intensive efforts have been devoted to suppressing the emergence of interfacial states during vdWH stacking process, which facilitates the charge interaction and transfer between the heterostructure layers. However, the effective generation and modulation of the vdWH interfacial states could give rise to a new design and architecture of 2D functional devices. Here, we report a 2D non-volatile vdWH memory device enabled by the artificially created interfacial states between hexagonal boron nitride (hBN) and molybdenum ditelluride (MoTe2). The memory originates from the microscopically coupled optical and electrical responses of the vdWH, with the high reliability reflected by its long data retention time over 104 s and large write-erase cyclic number exceeding 100. Moreover, the storage currents in the memory can be precisely controlled by the writing and erasing gates, demonstrating the tunability of its storage states. The vdWH memory also exhibits excellent robustness with wide temperature endurance window from 100 K to 380 K, illustrating its potential application in harsh environment. Our findings promise interfacial-states engineering as a powerful approach to realize high performance vdWH memory device, which opens up new opportunities for its application in 2D electronics and optoelectronics.
A nanographene disk rotating a single molecule gear on a Cu(111) surface
Authors: Lin H-H , Croy A , Gutierrez R , Joachim C , Cuniberti G 
Published: January 2022

Abstract
On Cu(111) surface and in interaction with a single hexa-tert-butylphenylbenzene molecule-gear, the rotation of a graphene nanodisk was studied using the large-scale atomic/molecular massively parallel simulator molecular dynamics simulator. To ensure a transmission of rotation to the molecule-gear, the graphene nanodisk is functionalized on its circumference by tert-butylphenyl chemical groups. The rotational motion can be categorized underdriving, driving and overdriving regimes calculating the locking coefficient of this mechanical machinery as a function of external torque applied to the nanodisk. The rotational friction with the surface of both the phononic and electronic contributions is investigated. For small size graphene nanodisks, the phononic friction is the main contribution. Electronic friction dominates for the larger disks putting constrains on the experimental way of achieving the transfer of rotation from a graphene nanodisk to a single molecule-gear.
Improving a high-power laser-based relativistic electron source: the role of laser pulse contrast and gas jet density profile
Authors: Grigoriadis A , Andrianaki G , Fitilis I , Dimitriou V , Clark E l , Papadogiannis N A , Benis E P , Tatarakis M 
Published: January 2022

Abstract
A relativistic electron source based on high power laser interaction with gas jet targets has been developed at the Institute of Plasma Physics and Lasers of the Hellenic Mediterranean University. Initial measurements were conducted using the ‘Zeus’ 45 TW laser with peak intensities in the range of 1018–1019 W cm−2 interacting with a He pulsed gas jet having a 0.8 mm diameter nozzle. A significant improvement of the electron signal was measured after using an absorber to improve the laser pulse contrast from 10−10 to 10−11. A high stability quasi-mono-energetic electron beam of about 50 MeV was achieved and measured using a magnetic spectrometer for pulsed gas jet backing pressure of 12 bar. Supplementary studies using a 3 mm diameter nozzle for backing pressures in the range of 35–40 bar showed electron beam production with energies spread in the range from 50 to 150 MeV. The pulsed jet density profile was determined using interferometric techniques. Particle-in-cell simulations, at the above experimentally determined conditions, support our experimental findings.
The influences of radiation effects on DC/RF performances of L
g = 22 nm gate-all-around nanosheet field-effect transistor
Authors: Ma Yue , Bi Jinshun , Majumdar Sandip , Mehmood Safdar , Ji Lanlong , Sun Yichao , Zhang Chenrui , Fan Linjie , Zhao Biyao , Wang Hanbin , Shen Lizhi , Han Tingting 
Published: January 2022

Abstract
In this paper, we carried out detailed technology computer aided design simulations to investigate the radiation effects, e.g. total ionizing dose (TID) and single-event effects (SEEs), on direct current (DC) and radio frequency (RF) characteristics of the gate-all-around (GAA) nanosheet field-effect transistor (FET). The simulation model used is composed of seven-layer stacked GAA nanosheet FET with L
g = 22 nm, which was implemented in this study. The open current and the drain-induced barrier lowering of the device are ∼3 mA μm−1 and 47 mV V−1, respectively. The results indicate that the TID have little influence on the DC and RF characteristics when the transistor is working in an open state. During the SEEs simulation, we considered three incident directions for the high energy particle, including the lateral direction of the channels, the vertical direction of the channels and the top of the channels. The influence of the particle injecting along the lateral and vertical directions of the channels shows stronger relation with the distance from the incident point compared to the influence of the particle from the top. Besides, the general influence of the particle injecting along the lateral directions of the channels is higher than the other two directions. The total injected charge of the particle injecting along the lateral direction, along the vertical direction and from the top are 3 fC, 1.4 fC and 2.1 fC, respectively. As compared to the fin FET, the GAA nanosheet has superior RF performances and less sensitivity to TID effect. This work can provide a guideline for the GAA nanosheet devices in aerospace and avionic RF applications.
DC characterization of advanced fine-filamentary MgB2 superconducting wires
Authors: Kováč P , Melišek T , Kováč J , Búran M , Hušek I , Rindfleisch M , Tomsic M 
Published: January 2022

Abstract
MgB2 wires with 114, 192 and 342 filaments of size 14–19 µm manufactured by HyperTech Research, Inc. have been subjected to low-temperature DC measurements. R(T), I–V characteristics, critical currents, stress and strain tolerances of these wires differing by filament architecture and filament size sheathed by resistive CuNi alloys were measured and compared with the literature data. It was found that these fine-filamentary wires have high engineering current densities not reduced by twisting up to 10 mm, sufficient strain tolerances and therefore are promising for future applications where minimized AC losses are required due to resistive sheaths, thin MgB2 filaments and short twist pitches.
Atomic-scale observation of spontaneous hole doping and concomitant lattice instabilities in strained nickelate films
Authors: Lin I C , Lee M H , Wu P C , Lin S C , Chen J W , Li C-C , Guo G Y , Chu Y-H , Sankar R , Chu M-W 
Published: January 2022

Abstract
Thin oxide films are of vast opportunities for modern electronics and can facilitate emergent phenomena by factors absent in the bulk counterparts, such as the ubiquitous epitaxial strain and interfacial charge doping. Here, we demonstrate the twisting of intended bulk-metallic phases in 10-unit-cell LaNiO3, PrNiO3, and NdNiO3 films on (001)-oriented SrTiO3 into distinct charge-lattice entangled states by epitaxial strains. Using atomically-resolved electron microscopy and spectroscopy, the interfacial electron doping into SrTiO3 in the conventional context of band alignments are discounted. Instead, spontaneously doped holes that are localized and at the order of 1013 cm−2 are atomically unraveled across all three heterointerfaces and associated with strain mitigations by the accompanied atomic intermixing with various ionic radii. The epitaxial strains also lead to condensations of monoclinic-C2/c lattice instabilities, which are hidden to the bulk phase diagram. The group-theoretical analysis of characteristic transition pathways unveils the strain resurrection of the hidden C2/c symmetry. While this strain-induced monoclinic phase in LaNiO3 remains metallic at room temperature, those in PrNiO3 and NdNiO3 turn out to be insulating. Such strain-induced monoclinic lattice instabilities and parasitic localized holes go beyond the classical elastic deformations of films upon epitaxial strains and hint on plausible hidden orders in versatile oxide heterostructures with unexpected properties, of which the exploration is only at the infancy and full of potentials.
Structure of spherically symmetric objects: a study based on structure scalars
Authors: Yousaf Z 
Published: January 2022

Abstract
The aim of this paper is to explore the consequences of extra curvature terms mediated from f(R, T, Q) (where Q ≡ R

μ
ν

T

μ
ν
) theory on the formation of scalar functions and their importance in the study of populations who are crowded with regular relativistic objects. For this purpose, we model our system comprising of non-rotating spherical geometry formed due to gravitation of locally anisotropic and radiating sources. After considering a particular f(R, T, Q) model, we form a peculiar relation among Misner-Sharp mass, tidal forces, and matter variables. Through structure scalars, we have modeled shear, Weyl, and expansion evolutions equations. The investigation for the causes of the irregular distribution of energy density is also performed with and without constant curvature conditions. It is deduced that our computed one of the f(R, T, Q) structure scalars (Y

T
) has a vital role to play in understanding celestial mechanisms in which gravitational interactions cause singularities to emerge.
An ab-initio study of electronic and optical properties of RhXO3 (X = Ga, Ag) perovskites
Authors: Rouf Syed Awais , Hussain Muhammad Iqbal , Mumtaz Umair , Masood Hafiz Tariq , Albalawi Hind , Majeed Abdul Mannan , Khalil R M Arif , Mahmood Q 
Published: January 2022

Abstract
The ab-initio computations were performed to study the electronic and optoelectronic properties of

RhXO

3

(
X
=
Ga
,

Ag
)

perovskites using WIEN2k code. The

RhGaO

3

has band gap of 2.29 eV, and the behavior of

RhAgO

3

is metallic. The sub-TDOS of the studied materials revealed that rhodium and oxygen atoms have significant contributions in the valence band and conduction band formation of both materials. The silver cation is responsible for the reasonable peaks appearing at the Fermi level of

RhAgO

3

,

which demonstrated the conducting nature of

RhAgO

3

.

The dielectric functions, optical conductivity, energy loss function, absorption coefficient, refractive index, extinction coefficient, and reflectivity are computed for these materials to understand the optical behavior of the studied materials. The analysis of optical properties ensure the

RhGaO

3

is a promising material for optoelectronics while

RhAgO

3

has metallic nature.