bluuebunny/crossref_metadata_2025_split huggingface dataset:
Vacancies in thermal equilibrium and ferromagnetism near the Curie temperature
Authors: Seeger Alfred , Fähnle Manfred 
Published: February 2022

AbstractIn several refractory body-centred cubic metals (α-Fe, V, Nb, Ta) the binding energy of positrons (e+) trapped in vacancies is too small to permit accurate determinations of the enthalpy of formation of monovacancies,H1VF,$ H_{{\rm{1V}}}^{\rm{F}},$by high-temperature positron annihilation. Owing to their larger mass, trapped positive muons (μ+) and π-mesons (π+) are much more firmly bound to vacancies. It is argued that the lattice steering (channelling or blocking) of their charged decay products (e+or μ+) allows us to obtain accurateH1VF$ H_{{\rm{1V}}}^{\rm{F}}$values of the refractory bcc metals. In ferromagnets with high Curie temperaturesTC, such as α-Fe, Co, and FeCo alloys,H1VF$ H_{{\rm{1V}}}^{\rm{F}}$may also be deduced from muon spin rotation (μ+SR) measurements. However, in Fe and Co this approach is limited by the strong sensitivity of the spontaneous magnetization against temperature fluctuations nearTC. The reduction of this sensitivity in the so-called asymptotic critical regime by applying sufficiently strong external magnetic fields is investigated on the basis of the Arrott– Noakes equation. A method for determining the critical amplitudes occurring in this equation is proposed.In disordered Fe1–xCoxalloys (0.2 ≤x≤ 0.75) the Curie temperatures are sufficiently high for the spontaneous magnetization in the bcc phase not to be critically affected by temperature fluctuations, hence these alloys are well suited for μ+SR investigations of thermal vacancies. From an analysis of the available positron-annihilation and self-diffusion data the vacancy migration enthalpy in disordered Fe0.5Co0.5is found to be (1.1 ± 0.2) eV, in good agreement with quenching data and with the value established for α-Fe.
A novel technique for measuring diffusivities of short-lived radioisotopes in solids
Authors: Voss Thilo , Strohm Andreas , Matics Stefan , Scharwaechter Peter , Frank Werner 
Published: February 2022

Abstract
After reminding the reader of the major techniques for measuring diffusion coefficients in solids, a detailed description of the conventional radiotracer techniques is presented. These allow to measure solid-state diffusivities in the regime 10– 8–10– 24 m2s– 1 and therefore, and for other reasons to be discussed, are superior to all competing methods. However, the conventional radiotracer techniques suffer from the restriction that they are not applicable to radio-tracer atoms with half-lives t
1/2 ≲ 1 d. The main objective of this paper is to introduce a novel experimental set-up which enables us to perform radiotracer-type diffusivity measurements with short-lived radioisotopes (1 d ≳ t ≳ 10 min). First results on the diffusion of 31Si (t
1/2 = 2.6 h) and 11C (t
1/2 = 20.38 min) in Si–Ge alloys and Si –C–N-based ceramics measured in this set-up are presented.
Hydrogen four-level tunnel systems in substitutional body-centred cubic alloys
Authors: Cordero Francesco , Cantelli Rosario 
Published: February 2022

Abstract
A brief account is provided of the main results of a study of the tunneling states of H trapped by substitutional (S) impurities in Nb, mainly consisting in anelasticity experiments. The phenomenology is rather complex when the concentration of S atoms is higher than a few parts per thousand, and various and contrasting interpretations are possible. The complication arises from the destruction of the symmetry of the S–H pair by the elastic interactions among the defects. The situation becomes, however, clear for an S content around 0.1 %, when the anelastic spectra reveal the relaxation processes due to the now nearly undistorted S–H complexes. In this case H delocalizes over four tetrahedral sites of a face of the cube containing the S atom, giving rise to a four-level tunnel system (FLS). The parameters of tunneling and coupling to phonons and electron excitations are similar to those found for the two-level system of H near an interstitial impurity, but new effects are found, due to the symmetry of the additional eigenstates of a centrosymmetric FLS.
Stability of strengthened niobium alloys in long-term high-temperature loading conditions
Authors: Shyrokov Volodymyr V. , Tcvikilevitch Orest S. , Vasyliv Chrystyna B. 
Published: February 2022

Abstract
Variations in structure and heat resistance of niobium alloys after long-term loading (for up to 10 000 h) in vacuum at 1173 and 1373 K are studied. It is concluded that niobium alloys are more heat-resistant while those undergoing solid-solution hardening are more stable structurally. It is shown that long-term strength plots for niobium alloys have kinks which are to be taken into account when predicting life of structurally unstable materials.
Thermodynamic calculation of the phase diagram of the Co–Nb–Ta system
Authors: Hari Kumar K. C. , Van Rompaey T. , Wollants P. 
Published: February 2022

Abstract
A thermodynamic description of the ternary system Co–Nb–Ta is obtained by combining the descriptions of the lower-order systems according to the CALPHAD method. The thermodynamic data set for the binary Co–Nb system is taken from [1], where a new thermodynamic model for the μ-phase was introduced. The μ-phase appears in several transition metal systems, including Co–Ta. The model is applied to the Co–Ta system and extended to the ternary Co–Nb–Ta system. The thermodynamic descriptions of the systems Co–Ta, Nb–Ta and Co–Nb–Ta are reported in the present work.
Unit cell volumes of the silicon- and germanium-containing solid solutions based on the 3d bcc transition metals
Authors: Ellner M. , Park I. 
Published: February 2022

Abstract
The unit cell parameters and the unit cell volumes were investigated for Si- and Ge-containing solid solutions based on the 3d body-centred cubic transition metals. Excepting the high-temperature solid solution δ-Mn(Si), the solubility of Si increases with increasing number of 3d electrons. In contradiction to the large atomic volume of Si, which is substantially larger than that of the 3d transition metals, the unit cell volume of the terminal solid solutions decreases with increasing Si content. For solid solutions showing a large homogeneity range – α-Fe(Si) and α-Fe(Ge) –, the partial atomic volumes of Si and Ge were evaluated. Comparing the quasihomological Al- and Si-containing solid solutions α-Fe(Al) and α-Fe(Si), the higher bond energy occurs between atoms of Si and Fe than between Al and Fe atoms. Taking into consideration the homology of metalloids in the solid solutions α-Fe(Si) and α-Fe(Ge), the higher bond energy can also be expected between Si and Fe than between Ge and Fe atoms.
Atomic resolution electron tomography: a dream?
Authors: Dyck Dirk Van , Aert Sandra Van , Croitoru Mihail 
Published: February 2022

Abstract
In this paper, the possibilities and intrinsic physical limits to atomic resolution electron tomography are discussed. It is shown that atomic resolution electron tomography is in principle possible and may provide atom position coordinates with sufficient precision to use as input data for theoretical ab-initio calculations. For amorphous materials which are subject to radiation damage it may require a lower voltage and the use of a C
s and C
c corrector. For perfect crystalline samples the projected structure can be reconstructed from exit waves using the channeling theory. Combining the reconstructions obtained from different zone axis orientations then yields the 3D atomic structure. The most difficult objects will be semicrystalline materials where strong dynamic scattering interferes with weak signals from the aperiodicity. Here we suggest to use a new technique called precession laminography. Finally, doubt is raised about the practical usability of optical sectioning by HAADF STEM.
Prospects of the multislice method for CBED pattern calculation
Authors: Kaiser Ute , Chuvilin Andrey 
Published: February 2022

Abstract
We recently showed that the Multisclice method can be used to elucidate the crystal volume contribution to a CBED pattern. Here, we demonstrate in more detail how the directions of each HOLZ line, their Laue zone order, and the specimen thickness determine the volume segment of the Bragg scattering cone of the electron beam and show that secondary rescattering from this volume must take place for deficient line formation in the (000) CBED disk. Moreover, additional prospects of the multislice method are demonstrated such as calculation of line splitting in bent crystals, hollow cone dark-field CBED, large-angle CBED, and whole diffraction patterns including Kikuchi lines.
Quantitative assessment of nanoparticle size distributions from HRTEM images
Authors: Du Kui , Ernst Frank 
Published: February 2022

Abstract
Aiming to determine the size distribution and surface area per unit mass of catalyst nanoparticles for fuel cells, we have developed a novel method of digital image processing that quantitatively determines the size of individual nano-particles from atomic-resolution transmission electron microscopy images. After introducing the basic concept of this new method, we demonstrate its efficiency using platinum nanoparticles on carbon support as a model system. Special attention is given to the error that can be introduced by estimating the surface area per unit mass from the distribution of particle diameters in the presence of asymmetry of the particle size about the mean.
Extended interfacial structure between two asymmetrical facets of a Σ = 9 grain boundary in copper
Authors: Couzinié Jean-Philippe , Thibault J. , Décamps B. , Priester L. 
Published: February 2022

Abstract
The presence of an extended structure in a Σ = 9 grain boundary of copper has been highlighted by high-resolution transmission electron microscopy. The phase, located in a grain boundary region between two different asymmetrical facets, may be described as a three dimensional phase with a hexagonal structure. A detailed analysis of the defects at the limits between the phase and the two copper crystals allows us to propose an interpretation for the occurrence of this local phase transformation.
Wetting of aluminium-based complex metallic alloys
Authors: Belin-Ferré Esther , Dubois Jean Marie 
Published: February 2022

Abstract
Many complex metallic alloys are known to form in aluminium-based systems containing transition metals like Cu, Pd, Fe or Cr, the most famous one being the stable icosahedral quasicrystal discovered in the Al –Cu –Fe system. Although covered by a thin native oxide layer, adhesion of water onto the complex compounds is very different from that onto the oxide or onto oxidised aluminium. We show here how this atypical behaviour is related to the structural complexity of the compound. We then produce data that allows us to estimate the actual surface energy of the same compounds, a property that is also a fingerprint of structural complexity in Al-based intermetallics.
Special planar defects in the structural complex metallic alloys of Al–Pd–Mn and Al–Ni–Rh
Authors: Zhang Ze , Tian He , Chen Yan-Hui , Sun Wei 
Published: February 2022

Abstract
A systematic high-resolution electron microscopy study of a special type of two-dimensional defects, phason planes, has been carried out in the structurally complex metallic alloys of Al –Pd –Mn and Al –Ni –Rh. The structural characteristics of the phason planes in these two alloys consist of pentagon-banana pairs of polygons but with a different arrangement. Located on the vertex of the polygons are pseudo-Mackay atomic clusters. The detailed atomic structures of the phason planes in both ξ′- and ξ-phases of the two alloys have been determined by means of high-resolution electron microscopy and theoretical simulations. The possible ways of displacement of the phason planes in the complex alloys are discussed.
An investigation of improved titanium/titanium nitride barriers for submicron aluminum-filled contacts by energy-filtered transmission electron microscopy
Authors: Rucki Andreas , Robl Werner 
Published: February 2022

Abstract
The adaptation of titanium/titanium nitride barriers which are commonly used for tungsten-filled contacts to aluminum-filled contacts has encountered some limitations. A main issue is the decomposition of titanium nitride manufactured by physical vapour deposition through reaction with aluminum. In this investigation two different concepts for barrier improvement have been pursued: 1. stuffing of a conventional barrier by a rapid thermal process in an oxygen-rich atmosphere and, 2. use of a barrier manufactured by chemical vapour deposition. The aim of the transmission electron microscopic analysis was to explain different electrical breakdown characteristics during thermal stressing of chips with these barriers. Energy-filtered transmission electron microscopy was used to monitor elemental distributions down to nanometer scale. Both concepts are found to improve barriers for aluminumfilled contacts.
Structural properties of the fiber –matrix interface in carbon-fiber/carbon-matrix composites and interfaces between carbon layers and planar substrates
Authors: Gerthsen Dagmar , Bach David , Pauw Virginie De , Kalhöfer Sabine , Reznik Boris , Send Winfried 
Published: February 2022

Abstract
The structure of the fiber –matrix interface region of carbon-fiber/carbon-matrix (C/C)-composites, which is important for the mechanical properties of a composite, was studied by transmission electron microscopy. The pyrolytic carbon matrix was obtained by chemical vapor infiltration of carbon fiber preforms with different fiber architecture and fiber types. While the texture of the carbon matrix can be controlled by the infiltration conditions, the carbon texture at the fiber –matrix interface differs from the bulk matrix and cannot be determined by the infiltration parameters. We often observe a high-textured layer with a thickness up to 100 nm at the interface prior to the formation of the bulk matrix with a lower texture. The fiber –matrix interface properties of C/C-composites are compared with the interface of pyrolytic carbon layers deposited on planar Si-, BN- and cordierite-substrates. In contrast to BN-substrates, thin high-textured pyrolytic layers are observed at the interface of carbon on planar Si- and cordierite-substrates where strong bonding between pyrolytic carbon and the substrate is achieved by the formation of Si-C bonds. Stress-induced ordering is discussed as a mechanism for the formation of the high-textured interface layers.
A proposal for all optical digital multiplexer using photonic crystal-based nonlinear ring resonators
Authors: Geraili Mohammad Reza , Hosseini Seyed Ebrahim , Tavakoli Mohammad Bagher , Shokooh-Saremi Mehrdad 
Published: February 2022

Abstract
For realizing an all optical photonic crystal (PhC)-based Arithmetic Logic Unit (ALU), one needs an optical 4 to 1 digital multiplexer. This device is a logic circuit in which by using two control ports one can connect four input lines to the output port. In this paper we used nonlinear ring resonators combined with optical waveguides to realize an optical digital multiplexer inside two dimensional PhC structure. The final structure was simulated using finite difference time domain method. The simulation results show that the maximum time delay of the final structure is about 3 ps.
Upgrade rate of percutaneously diagnosed pure flat epithelial atypia: systematic review and meta-analysis of 1,924 lesions
Authors: Ferre Romuald , Kuzmiak Cherie M. 
Published: February 2022

Abstract

Context
Management remains controversial due to the risk of upgrade for malignancy from flat epithelial atypia (FEA). Data about the frequency and malignancy upgrade rates are scant. Namely, observational follow-up is advised by many studies in cases of pure FEA on core biopsy and in the absence of an additional surgical excision. For cases of pure FEA, the American College of Surgeons no longer recommends surgical excision but rather recommends observation with clinical and imaging follow-up.

Objectives
The aim of this study is to perform a systematic review and meta-analysis to calculate the pooled upgrade of pure FEA following core needle biopsies.

Methods
A search of MEDLINE and Embase databases were conducted in December 2020. Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines were followed. A fixed- or random-effects model was utilized. Heterogeneity among studies was estimated by utilizing the I2 statistic and considered high if the I2 was greater than 50%. The random-effects model with the DerSimonian and Laird method was utilized to calculate the pooled upgrade rate and its 95% confidence interval.

Results
A total of 1924 pure FEA were analyzed among 59 included studies. The overall pooled upgrade rate to malignancy was 8.8%. The pooled upgrade rate for mammography only was 8.9%. The pooled upgrade rate for ultrasound was 14%. The pooled upgrade rate for mammography and ultrasound combined was 8.8%. The pooled upgrade rate for MRI-only cases was 27.3%.

Conclusions
Although the guidelines for the management of pure FEA are variable, our data support that pure FEA diagnosed at core needle biopsy should undergo surgical excision since the upgrade rate >2%.
Attributive modification in South American indigenous languages
Authors: Krasnoukhova Olga 
Published: February 2022

AbstractThe article deals with attributive modification in South American languages. It focuses on descriptive terms that denote properties. First of all, it is observed that attributive modification with property terms is possible in most, but not all South American languages. The typology of attributive constructions is argued to constitute a continuum, from syntactically loose nominal expressions, on the one hand, to morphologically complex structures which are ambiguous between compounding and derivation, on the other hand. The latter involves the use of lexico-grammatical means such as classifiers. The paper also raises the question of a possible diachronic link – at least for some languages – between intransitive clauses and postnominal property terms, which are often verbal in nature.
Polygenic risk scores: the future of cancer risk prediction, screening, and precision prevention
Authors: Wang Yuzhuo , Zhu Meng , Ma Hongxia , Shen Hongbing 
Published: February 2022

Abstract
Genome-wide association studies (GWASs) have shown that the genetic architecture of cancers are highly polygenic and enabled researchers to identify genetic risk loci for cancers. The genetic variants associated with a cancer can be combined into a polygenic risk score (PRS), which captures part of an individual’s genetic susceptibility to cancer. Recently, PRSs have been widely used in cancer risk prediction and are shown to be capable of identifying groups of individuals who could benefit from the knowledge of their probabilistic susceptibility to cancer, which leads to an increased interest in understanding the potential utility of PRSs that might further refine the assessment and management of cancer risk. In this context, we provide an overview of the major discoveries from cancer GWASs. We then review the methodologies used for PRS construction, and describe steps for the development and evaluation of risk prediction models that include PRS and/or conventional risk factors. Potential utility of PRSs in cancer risk prediction, screening, and precision prevention are illustrated. Challenges and practical considerations relevant to the implementation of PRSs in health care settings are discussed.
Topological optomechanical amplifier in synthetic
PT

$\mathcal{PT}$

-symmetry
Authors: Zhang Jian-Qi , Liu Jing-Xin , Zhang Hui-Lai , Gong Zhi-Rui , Zhang Shuo , Yan Lei-Lei , Su Shi-Lei , Jing Hui , Feng Mang 
Published: February 2022

Abstract
We propose how to achieve synthetic

PT

$\mathcal{PT}$

symmetry in optomechanics without using any active medium. We find that harnessing the Stokes process in such a system can lead to the emergence of exceptional point (EP), i.e., the coalescing of both the eigenvalues and the eigenvectors of the system. By encircling the EP, both nonreciprocal optical amplification and chiral mode switching can be achieved. As a result, our synthetic

PT

$\mathcal{PT}$

-symmetric optomechanics works as a topological optomechanical amplifier. This provides a surprisingly simplified route to realize

PT

$\mathcal{PT}$

-symmetric optomechanics, indicating that a wide range of EP devices can be created and utilized for various applications such as topological optical engineering and nanomechanical processing or sensing.
Advanced oxidation processes for phthalate esters removal in aqueous solution: a systematic review
Authors: Amiri Hoda , Martinez Susana Silva , Shiri Marziyeh Ansari , Soori Mohammad Mahdi 
Published: February 2022

Abstract
This study addresses a systematic review of the scientific literature to evaluate the most common advanced oxidation processes (AOP) for the removal of phthalate esters (PE) in aqueous matrices. Six AOP were reviewed for PE degradation such as processes based on photolysis, Fenton, ozonation and sulfate radicals (

SO
4

•
−

${\text{SO}}_{4}^{\bullet -}$

), combined AOP and other processes. The PE degradation efficiencies by AOP processes ranged from 40.3 to 100%. In the reviewed literature, an initial PE concentration within 0.04–250 mg/L was applied. The H2O2 concentrations used in the UV/H2O2 process and O3 concentrations in ozonation-based processes ranged between 0.85–1,360.6 mg/L and 2–4,971 mg/L, respectively. Based on the reported results, the PE oxidation data fit well to the pseudo-first order kinetic model. A review of the studies revealed that many oxidant species are produced in the AOP, including hydroxyl radicals (•OH),

SO
4

•
−

${\text{SO}}_{4}^{\bullet -}$

, superoxide radical anions (

O
2

−
•

${\text{O}}_{2}^{-\bullet }$

), hydroperoxyl radicals (HO2
•), hydrogen peroxide (H2O2), and singlet oxygen (O2). Among these oxidants, •OH play a key role in the degradation of PE. However,

SO
4

•
−

${\text{SO}}_{4}^{\bullet -}$

are more effective and efficient than •OH since

SO
4

•
−

${\text{SO}}_{4}^{\bullet -}$

has a higher oxidation power (E = 2.5–3.1 V) compared to •OH radicals (E = 1.8–2.7 V). In different AOP processes, the aromatic rings of PE are destroyed by •OH and produce intermediates such as phthalic acid (C6H4(CO2H)2), benzoic acid ethyl ester (C9H10O2), 2, 5-dihydroxybenzoic acid (C7H6O4), formic acid (CH2O2), acetic acid (CH3COOH), and oxalic acid (C2H2O4), among some others. Until now, limited data have been reported on PE toxicity assessment. The reviewed literature has shown that AOP can be used effectively to degrade PE from aqueous matrices. However, this systematic study suggests focusing more on the evaluation of the toxicity of the effluent resulting from AOP for the decomposition of PE in future studies.