cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Final Report on Porting Earth System Models to Containers - Deliverable D2.9
Creators: name: Sawyer, William
name: Manitaras, Theofilos
name: Jucker, Jonas
name: Leclair, Matthieu
Publisher: name: Zenodo
Year: 2023
Subjects: ESiWACE2
Centre of Excellence in Simulation of Weather and Climate in Europe Phase 2
Container

description: Atmosphere and ocean models are characterised among other things by complex dependencies, external configurations, and performance requirements. The containerisation of such a software stack helps to provide a consistent environment to ensure security, portability and performance. Since the container is built only once but then can be deployed on multiple platforms, productivity is increased.
 ETH Zurich has led a multi-year effort to containerise key models from the climate / numerical weather prediction community. This effort started in 2018 with a “hackathon” (programming session) to help ESiWACE2 community scientists create containers for their Earth-system models. The six teams made fast progress on their containers and their results were reported in the ESiWACE2 deliverable “D2.8 Summary of Container Hackathon Experiences”. Of these teams, three received extended ESiWACE2 funding to refine their containers : LFRic, EC-Earth, and COSMO. Even though they did not receive funding, the ICON team viewed their containerisation as strategic and has offered their results as part of this final deliverable. Therefore, we report here on four model containers – LFRic, EC-Earth, COSMO and ICON – rather than the originally foreseen three.
 The timing of the hackathon – just before the Covid-19 pandemic – was fortunate, for the teams were able to return home to refine their containers and put them into a production framework with only virtual interaction. ETH Zurich provided technical assistance to the teams, which became highly independent with time. The requirement for the final deliverable was not only the containerisation itself but also that the resulting model performance did not suffer adversely. The overall process and an overview of the containerization work is given in the subsequent sections, each of which references the public online documentation which the teams developed during their efforts.
title: The Way of Saint James: A sacred space?
Creators: name: Rucquoi, Adeline
Publisher: name: Technological University Dublin
Year: 2019

description: An increasing number of pilgrims make their way each year to the Sanctuary of Santiago de Compostela in Galicia. For many, the Way is almost more important than the goal to be achieved, that is, the tomb of the apostle. Can the space thus covered, sometimes taking weeks or months, be considered ‘sacred’? Undoubtedly, the pilgrimage to Compostela unites space and time. But it adds a particular symbolic dimension to them that makes it the quest for the elsewhere, the other and the absolute. As an image of the ‘pilgrimage of human life’, the whole formed by the apostolic sanctuary and the path leading to it, thus, acquires a sacred character.
Comparative corrosion studies of additive manufactured and conventional Fe-Alloys in physiological electrolytes
Creators: name: Huang, Jingyuan
Publisher: name: Universität Paderborn
Year: 2023

description: Im Bereich der Biomedizin zeigen Eisenlegierungen Potenzial als bioresorbierbare Implantate, die vor der Herausforderung stehen, effektiv in der komplexen physiologischen Umgebung des menschlichen Körpers zu funktionieren. In der vorliegenden Arbeit wird das Korrosionsverhalten von eisenbasierten Legierungen unter physiologischen Bedingungen aus verschiedenen Perspektiven untersucht, darunter Herstellungsverfahren, Legierungen und der Einfluss von Proteinen. Das Herstellungsverfahren erzeugt Unterschiede in Mikrostruktur und chemischer Zusammensetzung zwischen additiv gefertigten und konventionell bearbeiteten Legierungen, die die Korrosion beeinflussen. Die Adsorption von Proteinen und sowie die Art und Konzentration von Proteinen wirken sich auf die Korrosion von Eisenbasislegierungen aus. Mögliche Korrosionsmechanismen in physiologischen Elektrolyten wurden elektrochemisch untersucht (OCP, EIS). Veränderungen der Substratoberfläche vor und nach der Korrosion wurden mikroskopisch analysiert (AFM, SEM). Spektroskopische Methoden (PM-IRRAS, FT-IRRAS, ATR-IR, Raman, XPS) wurden eingesetzt, um die Zusammensetzung der Korrosionsproduktschicht zu bestimmen und die Proteinadsorption auf der Oberfläche nachzuweisen. Die in dieser Studie angewandten Analysemethoden und Konzepte sowie die Erforschung potenzieller Korrosionsmechanismen und des Abbauverhaltens tragen zur Auswahl geeigneter Materialien bei und erleichtern die Entwicklung von bioresorbierbaren medizinischen Geräten.
description: In the field of biomedicine, iron-based alloys show potential as bioresorbable implants, facing the challenge of functioning effectively within the intricate human physiological environment. The present work investigates the corrosion behavior of iron-based biodegradable materials under physiological conditions from multiple perspectives, including manufacturing methods, alloying, and the influence of proteins. Manufacturing induces microstructural and chemical differences between additively produced and conventionally processed alloys, affecting corrosion. Protein adsorption, as well as the type and concentration of proteins, have an impact on the corrosion of iron-based alloys in physiological solutions. The possible corrosion mechanisms of iron-based alloys in physiological electrolytes were examined by applying electrochemical methods (OCP, EIS). Changes in substrate topography before and after corrosion were assessed using microscopic techniques (AFM, SEM). Spectroscopic methods (PM-IRRAS, FT-IRRAS, ATR-IR, Raman, XPS) were employed to determine the composition of the corrosion product layer and to provide evidence of protein adsorption on the surface. The analytical methods and concepts applied in this study, along with the exploration of potential corrosion mechanisms and degradation behaviors, contribute to the selection of appropriate materials and facilitate the development of biodegradable medical devices.
Tim Leary at the Village Gate, Bill Etra, Steven Rutt
Creators: name: (:Unav)
Publisher: name: Columbia University
Year: 2019
Subjects: Counterculture

description: Guest is Dr. Timothy Leary, a psychologist. Leary talks about the population explosion, drugs, and his experience teaching Harvard graduate students. Also mentions an experiment where he and other Harvard researchers gave psychedelic drugs to prisoners (believed to be the "Concord Prison Experiment").
Post-Sphaleron Baryogenesis and an Upper Limit on the Neutron-Antineutron Oscillation Time
Creators: name: Babu, K. S.
name: Dev, P. S. Bhupal
name: Fortes, Elaine C. F. S.
name: Mohapatra, R. N.
Publisher: name: arXiv
Year: 2013
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: High Energy Physics - Experiment (hep-ex)
subject: FOS: Physical sciences

description: A recently proposed scenario for baryogenesis, called post--sphaleron baryogenesis (PSB) is discussed within a class of quark--lepton unified framework based on the gauge symmetry SU(2)_L x SU(2)_R x SU(4)_c realized in the multi--TeV scale. The baryon asymmetry of the universe in this model is produced below the electroweak phase transition temperature after the sphalerons have decoupled from the Hubble expansion. These models embed naturally the seesaw mechanism for neutrino masses, and predict color-sextet scalar particles in the TeV range which may be accessible to the LHC experiments. A necessary consequence of this scenario is the baryon number violating ΔB=2 process of neutron--antineutron (n-\bar{n}) oscillations. In this paper we show that the constraints of PSB, when combined with the neutrino oscillation data and restrictions from flavor changing neutral currents mediated by the colored scalars imply an upper limit on the n-\bar{n} oscillation time of 5 x 10^{10} sec. regardless of the quark--lepton unification scale. If this scale is relatively low, in the (200-250) TeV range, τ_{n-\bar{n}} is predicted to be less than 10^{10} sec., which is accessible to the next generation of proposed experiments.
description: 22 pages, 3 tables, 10 figures; clarification added on the baryogenesis calculation; version accepted for publication in Phys. Rev. D
Measurement of the ratio of the inclusive 3-jet cross section to the inclusive 2-jet cross section in pp collisions at sqrt(s) = 7 TeV and first determination of the strong coupling constant in the TeV range
Creators: name: CMS Collaboration
Publisher: name: arXiv
Year: 2013
Subjects: subject: High Energy Physics - Experiment (hep-ex)
subject: FOS: Physical sciences

description: A measurement is presented of the ratio of the inclusive 3-jet cross section to the inclusive 2-jet cross section as a function of the average transverse momentum, , of the two leading jets in the event. The data sample was collected during 2011 at a proton-proton centre-of-mass energy of 7 TeV with the CMS detector at the LHC, corresponding to an integrated luminosity of 5.0 inverse femtobarns. The strong coupling constant at the scale of the Z boson mass is determined to be alphaS[MZ] = 0.1148 +/- 0.0014 (exp.) +/- 0.0018 (PDF) +/- 0.0050 (theory), by comparing the ratio in the range 0.42 < < 1.39 TeV to the predictions of perturbative QCD at next-to-leading order. This is the first determination of alphaS[MZ] from measurements at momentum scales beyond 0.6 TeV. The predicted ratio depends only indirectly on the evolution of the parton distribution functions of the proton such that this measurement also serves as a test of the evolution of the strong coupling constant. No deviation from the expected behaviour is observed.
description: Replaced with published version. Added journal reference and DOI
Incompetent lip seal affects the form of facial soft tissue in preschool children
Creators: name: Inada, Emi
name: Saitoh, Issei
name: Kaihara, Yasutaka
name: Murakami, Daisuke
name: Nogami, Yukiko
name: Kubota, Naoko
name: Shirazawa, Yoshito
name: Ishitani, Norihito
name: Oku, Takeshi
name: Yamasaki, Youichi
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Space Science
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Medicine
subject: Cell Biology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: Computational Biology

description: Objective: To examine whether incompetent lip seal (ILS) influences the form of facial soft tissue. Methods: Four hundred forty-four preschool children 3–5 years of age were selected. The images of the subjects’ facial surface were obtained with a three-dimensional laser scanner. Coordinates of 16 facial landmarks were established and identified on the three-dimensional facial images, and the differences between children with (wILS) and without ILS (woILS) were measured. Results: The angle of sagittal facial convexity, excluding the nose, in 4- and 5-year-old children was significantly smaller in wILS children than in woILS children. The nasal prominence angle and the protrusion angle of lips in wILS children were significantly smaller than those in woILS children, at all ages. Conclusion: Children with ILS have anteriorly prominent subnasales and lips and flatter noses. The influence of ILS on facial form begins to appear even before 3 years of age.
Diagnosis and management of bruxism: Evaluation of clinical practices in France
Creators: name: Guillot, Marine
name: Jungo, Sébastien
name: Maniere, Armelle
name: Laplanche, Olivier
name: Tillier, Yannick
name: Ehrmann, Elodie
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Medicine
subject: Biotechnology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Science Policy

description: Objective: The Evaluation of Clinical Practice (ECP) conducted with a sample of French general dental practitioners aimed to measure the methods used to diagnose and manage bruxism. Methods: The ECP was performed using a declarative online questionnaire-based anonymous survey (SurveyMonkey) of 1388 practitioners. Twenty-two questions were grouped in 5 categories: (1) Sociodemographic characteristics (Q1-6); (2) Knowledge of the prevalence and definition of bruxism (Q7-9); (3) Diagnostic approach (Q10-11) and management (Q12-Q13); (4) The use of occlusal splints (Q14-21); (5) Oral rehabilitation (Q22). Results: The answers obtained (233; 16.8%) revealed a wide disparity and insufficient diagnosis (e.g. only 41% looked for sleep disorders, 22.3% for consumption of stimulants, 3% for upper airway obstruction) and management of bruxism (e.g. only 21.9% of participants proposed cognitive-behavioral therapy). Discussion: The discrepancies detected, such as the use of inappropriate splints (30 to 70%), emphasize the need for more prompt research-to-practice transfer of new knowledge.
Fractional and integer matchings in uniform hypergraphs
Creators: name: Kühn, Daniela
name: Osthus, Deryk
name: Townsend, Timothy
Publisher: name: arXiv
Year: 2013
Subjects: subject: Combinatorics (math.CO)
subject: FOS: Mathematics
subject: 05C65, 05C70

description: Our main result improves bounds of Markstrom and Rucinski on the minimum d-degree which forces a perfect matching in a k-uniform hypergraph on n vertices. We also extend bounds of Bollobas, Daykin and Erdos by asymptotically determining the minimum vertex degree which forces a matching of size t < n/2(k-1) in a k-uniform hypergraph on n vertices. Further asymptotically tight results on d-degrees which force large matchings are also obtained. Our approach is to prove fractional versions of the above results and then translate these into integer versions.
description: Accepted for publication by the European Journal of Combinatorics
The consequence of possessions: Self-identity, extended self, psychological ownership and probabilities of purchase for pet's fashion clothing
Creators: name: D'Souza, Clare
name: Apaolaza, V
name: Hartmann, P
name: Nguyen, N
Publisher: name: La Trobe
Year: 2023
Subjects: classificationCode: 3507
subject: Strategy, management and organisational behaviour
classificationCode: 350602
subject: Consumer-oriented product or service development
classificationCode: 3504
subject: Commercial services
classificationCode: 3509
subject: Transportation, logistics and supply chains

description: This research attempts to exemplify whether pets ascribed as possessions can be regarded, as part of our selves, i.e., a metaphoric relationship with pets, by examining the dynamic relationship between beliefs, extended self, self-identity concerning possessions, and psychological ownership.This study extends the literature by developing a conceptual model asserting that probabilities of purchase for pets, in particular, are contingent on possessions and the extended self. A sample of 326 pet owners was selected, and by using SEM, the direct and indirect relationships were explored. Self-identity and beliefs were significantly associated with psychological control and the extended self, however, beliefs were negatively related to the probabilities of purchase. The extended self and the psychological ownership demonstrated mediating relationships. The study contributes to an understanding of the theoretical relationship between the role of possessions and provides scholars and retail practitioners with an understanding of probabilities of purchase for pet fashions.
Aharonov-Bohm effect and giant magnetoresistance in graphene nanoribbon rings
Creators: name: Nguyen, Viet-Hung
name: Niquet, Yann-Michel
name: Dollfus, Philippe
Publisher: name: arXiv
Year: 2013
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: FOS: Physical sciences

description: We report a numerical study on Aharonov-Bohm (AB) effect and giant magnetoresistance in rectangular rings made of graphene nanoribbons (GNRs). We show that in low energy regime where only the first subband of contact GNRs contributes to the transport, the transmission probability can be strongly modulated, i.e., almost fully suppressed, when tuning a perpendicular magnetic field. On this basis, strong AB oscillations with giant negative magnetoresistance can be achieved at room temperature. The magnetoresistance reaches thousands % in perfect GNR rings and a few hundred % with edge disordered GNRs. The design rules to observe such strong effects are also discussed. Our study hence provides guidelines for further investigations of the AB interference and to obtain high magnetoresistance in graphene devices.
description: 5 pages, 6 figures, revised for publication
Research on hydroxyethyl ammonium O,O′-diphenyl dithiophosphate: Synthesis, characterization, surface activity and corrosion inhibition performance
Creators: name: Lai, Chuan
name: Xie, Bin
name: Guo, Xiaogang
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Biochemistry
subject: Physiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 60506 Virology

description: Hydroxyethyl ammonium O,O′-diphenyl dithiophosphate (HADD) acting as a surfactant and corrosion inhibitor was successfully synthesized and characterized by FT-IR, 1H NMR and single crystal X-ray diffraction. Meanwhile, the inhibition effect of HADD on Q235 steel (Q235s) corrosion in H2SO4 solution was studied by weight loss and potentiodynamic polarization measurements. HADD turned out to be an effective corrosion inhibitor and the inhibition efficiency increased with HADD concentration increasing, and significantly decreased with increasing both temperature and H2SO4 concentration. Potentiodynamic polarization measurements indicated that HADD was a mixed-type inhibitor.
New acidic pyrophosphate CoK1.078N0.922(H2P2O7)2.2H2O. Crystal structure and vibrational spectroscopy
Creators: name: Elhafiane, Fatima Zahra
name: Brouzi, Khalid
name: Khaoulaf, Redouane
name: Rghioui, Lotfi
name: Harcharras, Mohamed
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Space Science
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Medicine
subject: Cell Biology
subject: Biotechnology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences

description: The synthesis and single crystal X-ray structure are reported for a new acidic pyrophosphate dihydrate CoK1.078N0.922(H2P2O7)2.2H2O. The results revealed cobalt (Co) octahedrally coordinated by two water molecules and four oxygen atoms belonging to two (H2P2O7) diphosphate groups. Potassium (K) and nitrogen (N) cations are involved in a complex coordination within resulting cavities from phosphorus tetrahedra and cobalt octahedra. The present compound can be described as a three-dimensional framework made from vertex-sharing polyhedra. The basic unit is the [Co(H2P2O7)2.2H2O] moiety, which displays a Ci group symmetry, with the Co cation on the inversion center. The IR spectrum of CoK1.078N0.922(H2P2O7)2.2H2O confirms the existence of the characteristic bands of acidic pyrophosphate group (H2P2O7), respectively, at 1350–700 cm−1 and 600–400 cm−1 areas and reveals also the characteristic bands of water molecules vibration between the two spectral ranges 4000–1350 cm−1 and 700–600 cm−1. IR spectrum confirms also a bent configuration of the POP bridge.
Spectral singularities in PT-symmetric Bose-Einstein condensates
Creators: name: Heiss, W. D.
name: Cartarius, H.
name: Wunner, G.
name: Main, J.
Publisher: name: arXiv
Year: 2013
Subjects: subject: Quantum Physics (quant-ph)
subject: Quantum Gases (cond-mat.quant-gas)
subject: Chaotic Dynamics (nlin.CD)
subject: FOS: Physical sciences

description: We consider the model of a PT-symmetric Bose-Einstein condensate in a delta-functions double-well potential. We demonstrate that analytic continuation of the primarily non-analytic term |psi|^2 psi - occurring in the underlying Gross-Pitaevskii equation - yields new branch points where three levels coalesce. We show numerically that the new branch points exhibit the behaviour of exceptional points of second and third order. A matrix model which confirms the numerical findings in analytic terms is given.
description: 15 pages, 9 figures, modifications in Figs. 1 and 2, additions in the text, to be published in J. Phys. A
title: Eποχιακές περιηγήσεις, συνδέοντας Ρουσσόλακο, Χιόνα, Κουρεμένο μέσα στον χρόνο
Creators: name: Σπυριδακης Γεωργιος
Publisher: name: Technical University of Crete
Year: 2017

description: Βασικές αρχές σχεδιασμού:
Στο σχέδιο δράσης προτείνεται:
-Αφαίρεση όλου του ξενικού επιθετικού υλικού
-Η αφαίρεση των κακών παρεμβάσεων, ως καταλύτης, για την επιστροφή στο τοπίο που έχει χαθεί.
-Καθαίρεση όλων των κτισμάτων και των κολυμβητικών δεξαμενών που βρίσκονται εντός των υγροβιότοπων αφήνοντας όμως ως ίχνος μνήμης, νέες ήπιες παρεμβάσεις από ξύλο και corten.
-Θεσμοθετείται νέο Master Plan και σχέδιο δράσης με σκοπό την εξήγηση του τοπίου, ανάγνωση, αναγνώριση του τοπίου, ώστε να το καταστήσει πόλο τουριστικής, οικονομικής έλξης, και να το καθορίσει ως τοπίο σπόρο για μεταγενέστερες παρεμβάσεις.
-Περιπλάνηση, κίνηση, αναφορές στο πριν, ελαιώνες, η ελαιοπαραγωγή μέσα στους αιώνες, συμμετοχή του επισκέπτη στην διαδικασία συλλογής καρπού και της ξεχασμένης διαδικασίας ψυχρής σύνθλιψης για την παραγωγή του καλύτερου ελαιολάδου.
Σκοπός – να χορογραφείται η κίνηση του επισκέπτη ώστε να στοχεύσει σε συγκεκριμένα σημεία του τοπίου και να ταυτιστεί σε αυτό.
Αφαιρώντας τα κακώς κείμενα προστίθεται νόημα.
-Το έργο καταστροφής των κακών παρεμβάσεων γίνεται έργο δημιουργίας επανασύνθεση και επανασύνδεση με το τοπιο
-Ψυχική εμπειρία, ενδοσκόπηση
-Πολιτιστική στάθμη, σωματική εμπειρία, ψυχική εμπειρία
-το Τοπίο που χάνεται...

 Η βιωματική σχέση με την περιοχή συνέβαλε στην διεξοδική διερεύνηση-ανάλυση των πολιτισμικών δεδομένων που διαμορφώνουν την ιδιαίτερη φυσιογνωμία της.

Με άξονα τη διατήρηση αλλά και την ενίσχυση της φυσικής διάστασης του τόπου, προτείνεται μια ήπιας μορφής παρέμβαση στα όρια του ανθρωπογενούς τοπίου με το φυσικό, που υλοποιεί την πρόσβαση στην παράλια ζώνη τον αρχαιολογικό χώρο του Ρουσσόλακου και στους υγροβιότοπους της περιοχής.
Επιχειρώντας την ένταξη της πρότασης, βασικός προβληματισμός ήταν, ποια θα είναι τα όρια της μέσα σε ένα τοπίο φυσικό και προστατευόμενο αλλά και μέσα σε ένα αγροτικό τοπίο κατά βάση ελαιώνων.
Η σχέση του φυσικού με το τεχνητό, τα όρια και η έκταση του σχεδιασμού, η υλικότητα της ιδέας, η γεωμετρία του αγροτικού τοπίου, καθώς και η αυθόρμητη αρχιτεκτονική αποτέλεσαν παράγοντες που διαμόρφωσαν το συνθετικό αποτέλεσμα.
Η επιλογή του ξύλου ως κυρίαρχο υλικό, έγκειται στην επιθυμία για την δημιουργία μίας επέμβασης φιλικής προς το περιβάλλον και εφήμερης, όπου σε περίπτωση μετασχηματισμών, η καταστροφή της δε θα αφήσει “ίχνη”.
Kinetic analysis of new multi-component reaction for the formation of Z-N-(3-(naphthalene-2-yl)-4-oxothiazolidine-2-ylidene) benzamide
Creators: name: Darijani, Mahdieh
name: Habibi-Khorassani, Sayyed Mostafa
name: Shahraki, Mehdi
name: Heydari, Reza
name: Shahbakhsh, Yaser
name: Hossaini, Mahshid
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Cell Biology
subject: Molecular Biology
subject: Neuroscience
subject: Physiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Marine Biology
subject: Hematology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology

description: A new three-component reaction was studied kinetically among benzoyl isothiocyanate (1), 1-naphthylamine (2), and methyl bromoacetate (3) in the presence of triethylamine (4) as a catalyst, to yield Z-N-(3-(naphthalene-2-yl)-4-oxothiazolidine-2-ylidene) benzamide (5). The overall reaction is a combination of two reactions; 1) reaction a, between (1) and (2) forming 1-benzoyl-3-(naphthalen-1-yl) thiourea (P1); 2) reaction b, between (P1), (3) and (4) to form the product (5). The rate of reaction a, (kobsa=66.49 M−1 min−1) was more than the reaction b (kobsb=2.9 M−1 min−1), in acetonitrile solvent at 25 °C. A mechanism was proposed involving step1 (kobsa), step2 (k2 ), step3 (k3 ) and step4 (k4 ). Substituent effects with electron-withdrawing groups on para-position of benzoyl isothiocyanate (1) increased the rate constants of kobsa and k2 . The large negative entropy, ΔS‡, values in reactions a, and b are in agreement with step1 (kobsa) and step2 (k 2), an associative mechanism with a negative ΔS‡. The sum of these observations proved that the rate-determining step (RDS) is step2. It seems that the most important steps in the reaction mechanism are step1 (kobsa) and step2 (k2 ), which strongly control the reaction process. The kinetics and mechanism of these reactions were assessed by UV–vis spectrophotometry.
title: Υδραυλικά κονιάματα με νανο-τιτανία, μια καινοτόμα λύση στις αποκαταστάσεις μνημείων και μνημειακών κατασκευών
Creators: name: Καπετανακη Καλη
Publisher: name: Technical University of Crete
Year: 2017

description: Σημαντικό κομμάτι της έρευνας για την αποκατάσταση και επανάχρηση των μνημείων και των μνημειακών κατασκευών αποτελεί η μελέτη των ιστορικών υλικών και η σύνθεση νέων, που εξασφαλίζουν την ακεραιότητα του μνημείου τόσο δομικά τόσο και ιστορικά. Αντικείμενο της παρούσας εργασίας ήταν η σύνθεση υδραυλικών κονιαμάτων με την προσθήκη νανο-τιτανίας σε ποσοστό 6% ώστε να διερευνηθεί η επίδραση της τελευταίας στον μηχανισμό πήξης των κονιαμάτων, στην πορεία της ενανθράκωσης και της ποζολανικής αντίδρασης. Η αξιολόγηση των παραπάνω διεργασιών από την πρώτη μέρα ωρίμανσης μέχρι και τον ενάμιση χρόνο έγινε με τις εξής τεχνικές και αναλύσεις: θερμοσταθμική ανάλυση (DTA-TG), φασματοσκοπία υπέρυθρου (FTIR) και ορυκτολογική ανάλυση με περιθλασιμετρία ακτινών Χ (XRD). Επιπλέον μέσω της δοκιμής Vicat προσδιορίστηκε ο χρόνος πήξης και μέσω των δοκιμών μονοαξονικής θλίψης, κάμψης τριών σημείων και μέτρησης υπερήχων υπολογίστηκαν η θλιπτική ανοχή, η αντοχή σε κάμψη στις 28 μέρες, τους 3 και 6 μήνες και το δυναμικό μέτρο ελαστικότητας αντίστοιχα.
Οι συνθέσεις αποτελούνται από πάστες (κονία με νερό) και κονιάματα οι οποίες χωρίζονται σε 2 ομάδες, η πρώτη που έχει ως κονία υδράσβεστο με προσθήκη μετακαολίνη (ML) σε αναλογία 60/40 και η δεύτερη με φυσική υδραυλική άσβεστο (NHL). Στα κονιάματα προσθέτουμε αδρανή, ασβεστιτική (νταμαρίσια) ή πυριτική (ποταμίσια) άμμο με λόγο κονίας προς αδρανή 1/1 κατά βάρος.  Για λόγους σύγκρισης δημιουργούμε τρεις διαφορετικές συνθέσεις ως προς την νανο-τιτανία: 1) χωρίς nT, 2) με nT και 3) με nT που έχει εκτεθεί σε ακτινοβολία UV. Ζητούμενο είναι να αποδειχθεί ότι η προσθήκη νανο-τιτανίας με την φωτοκαταλυτική της δράση επιταχύνει την πήξη των κονιαμάτων, χωρίς όμως να του στερεί τις μηχανικές τους ιδιότητες.
Τα αποτελέσματα υποδεικνύουν ότι οι συνθέσεις με υδράσβεστο και μετακαολίνη δείχνουν βελτιωμένη συμπεριφορά στα φυσικοχημικά και μηχανικά χαρακτηριστικά τους με την προσθήκη ενεργοποιημένης νανο-τιτανίας. Τα κονιάματα με υδραυλική άσβεστο και νανο-τιτανία συμπεριφέρονται ικανοποιητικά με την πάροδο έξι μηνών ωρίμανσης. Επίσης τα κονιάματα με υδράσβεστο και μετακαολίνη παρουσιάζουν υπερδιπλάσιες αντοχές και μεγαλύτερη πλαστιμότητα από τα κονιάματα με υδραυλική άσβεστο, επιβεβαιώνοντας τη θετική συνεισφορά που έχει η προσθήκη ποζολάνης στην υδράσβεστο. Γενικά αποδεικνύεται ότι η προσθήκη νανο-τιτανίας σε ποσοστό 6% κ.β της κονίας, εκτός από τις δεδομένες ιδιότητες αυτοκαθαρισμού, αποδίδει κονιάματα με εξαιρετικές αντοχές.
Experimental and theoretical approaches on the reaction mechanism and kinetics of dimethyl 2-(6-oxopyridazin-1(6H)-yl)fumarate: Micelle and salt effects
Creators: name: Shahbakhsh, Yaser
name: Habibi-Khorassani, Sayyed Mostafa
name: Shahraki, Mehdi
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Biophysics
subject: Biochemistry
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Inorganic Chemistry

description: A one-pot diastereospecific reaction between DMAD (dimethyl acetylenedicarboxylate) (1) and 3-(2H) pyridazinone (2) in the presence of AsPh3 (3) as an efficient catalyst was studied kinetically. The effect of different salts was considered on the reaction velocity in methanol. The results highlighted that NaBr and CaCl2 salts – in 5 × 10−2 M and 10−2 M concentrations, respectively – raised the reaction rate near four times. Sodium dodecyl sulfate (SDS) as an anionic micelle was added to the solution, and the reaction rate decreased by half. The first and second steps (k1 and k2) of the reaction mechanism become observable in the UV – Vis spectrum when SDS was added to the reaction medium, this observation creates new information regarding the reaction mechanism. Activation energy and its related parameters were determined for the reaction, hence associative mechanism, chemically and enthalpy-controlled being of the reaction documented. A computational study was carried out (for the reaction in the absence of SDS) employing DFT method at the B3LYP/6-31 + G(2d,p) level of theory and fourth step, approved as RDS (rate determining step). Job’s method was used to determine the stoichiometry ratio among the reactants (1), (2) and (3) and the relevant plot exhibited the 1:1:1 stoichiometric ratio.
Tauberian conditions, Muckenhoupt weights, and differentiation properties of weighted bases
Creators: name: Hagelstein, Paul A.
name: Luque, Teresa
name: Parissis, Ioannis
Publisher: name: arXiv
Year: 2013
Subjects: subject: Classical Analysis and ODEs (math.CA)
subject: Functional Analysis (math.FA)
subject: FOS: Mathematics
subject: 42B25 (Primary), 42B35 (Secondary)

description: We give an alternative characterization of the class of Muckenhoupt weights $A_{\infty, \mathfrak B}$ for homothecy invariant Muckenhoupt bases $\mathfrak B$ consisting of convex sets. In particular we show that $w\in A_{\infty, \mathfrak B}$ if and only if there exists a constant $c>0$ such that for all measurable sets $E\subset \mathbb R^n$ we have $$ w({x\in \mathbb R^n: M_{\mathfrak B} (\mathbf {1}_E)(x)>1/2}) < c w(E).$$ This applies for example to the collection $\mathfrak R$ of rectangles with sides parallel to the coordinate axes, giving a new characterization of strong (multiparameter) Muckenhoupt weights. We also show versions of these results under the presence of a doubling measure. Thus the strong maximal function $M_{\mathfrak R,μ}$, defined with respect to a product-doubling measure $μ$, is bounded on $L^p(μ)$ for some $p>1$ if and only if $$μ({x\in \mathbb R^n: M_{\mathfrak R,μ} (\mathbf{1}_E)(x)>1/2}) < c μ(E)$$ for all measurable sets $E\subset \mathbb R^n$. Finally we discuss applications in differentiation theory, proving among other things that Tauberian conditions as above imply that the corresponding bases differentiate $L^\infty(μ)$, with respect to the measure $μ$.
description: 35 pages, 1 figure, minor typos corrected, one reference added, incorporates referee's report; to appear in Trans. Amer. Math. Soc
title: Φρούριο Fortezza Ρεθύμνου - ανάδειξη αρχαιολογικού χώρου με χρήση ψηφιακής τεχνολογίας
Creators: name: Λουσα Σοφια
Publisher: name: Technical University of Crete
Year: 2017

description: Στην ανάδειξη αρχαιολογικών χώρων μεγάλη βαρύτητα δίνεται στο οπτικό ερέθισμα. Η κατανόηση του χώρου και της ιστορίας του βασίζεται σε αυτό που κάποιος βλέπει ή διαβάζει. Ωστόσο, λαμβάνοντας υπ’ όψιν ότι η γνώση αποκτάται κυρίως μέσω της εμπειρίας,  η διαδικασία κατανόησης αποτελεί σκόπελο τόσο για μη βλέποντες όσο και για τους μη εξοικειωμένους με το αντικείμενο.
Στην παρούσα εργασία γίνεται μια απόπειρα να αναδειχθεί ένας γνωστός και επισκέψιμος χώρος σε τόπο πολυαισθητηριακών εμπειριών. Χρησιμοποιείται το φρούριο της Φορτέτζας στο Ρέθυμνο, το οποίο θεμελιώθηκε το 1573 και στέγασε διοικητικά και στρατιωτικά κτίρια Ενετών και αργότερα Οθωμανών. Σήμερα έχει αποκατασταθεί στο μεγαλύτερο μέρος του και φιλοξενεί πλήθος επισκεπτών καθώς και εκδηλώσεις πολιτισμού.  Στην ανάλυση του χώρου δόθηκε σημασία τόσο στο ιστορικό πλαίσιο των δομών και των διαφόρων φάσεών τους, όσο και στην αίσθηση που προκαλείται κατά την επίσκεψη σε συγκεκριμένα σημεία του φρουρίου.
Προτείνεται μια προσέγγιση ανάδειξης των ιστορικών φάσεων και κυρίως η δημιουργία μιας εμπειρίας επίσκεψης που θα ενεργοποιεί τις αισθήσεις. Για να επιτευχθεί αυτό χρησιμοποιούνται ψηφιακά και αναλογικά μέσα. Συγκεκριμένα, προτείνεται η δημιουργία μια εφαρμογής για κινητές συσκευές, η οποία θα επιλέγει διαδρομές προσαρμοσμένες στο προφίλ χρήστη, θα παρέχει πλοήγηση, πληροφορία για τα σημεία ενδιαφέροντος, προβολή προηγούμενων ιστορικών φάσεων μέσω επαυξημένης πραγματικότητας καθώς και σύνδεση με κοινωνικά δίκτυα. Η λειτουργία της εφαρμογής θα εξυπηρετεί βλέποντες και μη βλέποντες. Επιπλέον, προτείνεται η κατασκευή ελαφρών δομών σε σημεία ενδιαφέροντος, όπου ο επισκέπτης θα μπορεί να κατανοήσει τα κτίρια μέσω αφής, όρασης  και όσφρησης ( απτικά μοντέλα, χρήση αέρα και ατμού, έντυπες πληροφορίες).
Acute and chronic toxicity of manganese to tropical adult coral (Acropora millepora) to support the derivation of marine manganese water quality guideline values
Creators: name: Golding, LA
name: Binet, MT
name: Adams, MS
name: Hochen, J
name: Humphrey, CA
name: Price, GAV
name: Reichelt-Brushett, AJ
name: Salmon, M
name: Stauber, Jenny
Publisher: name: La Trobe
Year: 2023
Subjects: classificationCode: 4105
subject: Pollution and contamination

description: Adult corals are among the most sensitive marine organisms to dissolved manganese and experience tissue sloughing without bleaching (i.e., no loss of Symbiodinium spp.) but there are no chronic toxicity data for this sensitive endpoint. We exposed adult Acropora millepora to manganese in 2-d acute and 14-d chronic experiments using tissue sloughing as the toxicity endpoint. The acute tissue sloughing median effect concentration (EC50) was 2560 μg Mn/L. There was no chronic toxicity to A. millepora at concentrations up to and including the highest concentration of 1090 μg Mn/L i.e., the chronic no observed effect concentration (NOEC). A coral-specific acute-to-chronic ratio (ACR) (EC50/NOEC) of 2.3 was derived. These data were combined with chronic toxicity data for other marine organisms in a species sensitivity distribution (SSD). Marine manganese guidelines were 190, 300, 390 and 570 μg Mn/L to provide long-term protection of 99, 95, 90, and 80 % of marine species, respectively.
title: Αποτύπωση και πρόταση αποκατάστασης και επανάχρησης του ναού Αγ. Γεωργίου στα Περβόλια Χανίων

Creators: name: Βαρδακη Μελπομενη
Publisher: name: Technical University of Crete
Year: 2017

description: Στην παρούσα διπλωματική εργασία αντικείμενο μελέτης είναι ο ναός του Αγ. Γεωργίου στα Περβόλια, του οποίου μεγάλο μέρος έχει καταρρεύσει. Ο ναός είναι τοιχογραφημένος με μεγάλης ιστορικής αξίας τοιχογραφίες που ανάγονται στον 14ο αι.
Η μελέτη χωρίζεται σε τρία τμήματα:
Στο πρώτο τμήμα γίνεται ιστορική και αρχιτεκτονική τεκμηρίωση του ναού ο οποίος αποτελεί τυπικό δείγμα ναού την περίοδο που κτίστηκε.  Γίνεται συγκριτική αναφορά σε ναούς αντίστοιχης περιόδου και παρουσιάζονται τα σχέδια της αποτύπωσης.
Στο δεύτερο τμήμα της εργασίας γίνεται η παρουσίαση της παθολογίας του ναού σε στατικό επίπεδο και επίπεδο φθορών που οφείλονται σε περιβαλλοντικούς παράγοντες.
Στη συνέχεια γίνεται πρόταση για την αποκατάσταση του εναπομείναντος ναού με γνώμονα την καλύτερη στατική του λειτουργία, την αναστρεψιμότητα των επεμβάσεων και την προστασία των τοιχογραφιών. Γίνεται συμπλήρωση του ναού με νέο κέλυφος και δίνεται νέα χρήση που σέβεται το ιστορικό κέλυφος και απαντά στις ανάγκες των κατοίκων της περιοχής. Η χρήση που δίνεται στο ναό λειτουργεί συμπληρωματικά με τη δημιουργία ενός νέου κτιρίου στον περιβάλλοντα χώρο του ναού.
Ο ναός  είναι ένας  από τους πολλούς ερειπωμένους ναούς της ευρύτερης περιοχής και η προσέγγιση της  πρότασης αποκατάστασης και  επανάχρησης του θα μπορούσε να αποτελέσει «δείγμα γραφής» για το δίκτυο αυτών των ναών.
Odd-symmetry phase gratings produce optical nulls uniquely insensitive to wavelength and depth
Creators: name: Gill, Patrick R.
Publisher: name: arXiv
Year: 2013
Subjects: subject: Optics (physics.optics)
subject: FOS: Physical sciences

description: I present the analysis of a new class of diffractive optical element, the odd-symmetry phase grating, which creates wavelength- and depth-robust features in its near-field diffraction pattern.
description: 3 pages, 2 figures, published in Optics Letters June 15, 2013
Bayesian Lensing Shear Measurement
Creators: name: Bernstein, Gary M.
name: Armstrong, Robert
Publisher: name: arXiv
Year: 2013
Subjects: subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: FOS: Physical sciences

description: We derive an estimator of weak gravitational lensing shear from background galaxy images that avoids noise-induced biases through a rigorous Bayesian treatment of the measurement. The derived shear estimator disposes with the assignment of ellipticities to individual galaxies that is typical of previous approaches to galaxy lensing. Shear estimates from the mean of the Bayesian posterior are unbiased in the limit of large number of background galaxies, regardless of the noise level on individual galaxies. The Bayesian formalism requires a prior describing the (noiseless) distribution of the target galaxy population over some parameter space; this prior can be constructed from low-noise images of a subsample of the target population, attainable from long integrations of a fraction of the survey field. We find two ways to combine this exact treatment of noise with rigorous treatment of the effects of the instrumental point-spread function and sampling. The Bayesian model fitting (BMF) method assigns a likelihood of the pixel data to galaxy models (e.g. Sersic ellipses). The Bayesian Fourier domain (BFD) method compresses the pixel data to a small set of weighted moments calculated after PSF correction in Fourier space. A numerical test using a simplified model of a biased galaxy measurement process demonstrates that the Bayesian formalism recovers applied shears to $<1$ part in $10^3$ accuracy and provides accurate uncertainty estimates. BFD is the first shear measurement algorithm that is model-free and requires no approximations or ad hoc assumptions in correcting for the effects of PSF, noise, or sampling on the galaxy images. These algorithms are good candidates for attaining the part-per-thousand shear inference required for hemisphere-scale weak gravitational lensing surveys. (abridged)
description: Accepted to MNRAS
title: O ensino superior não estatal em Portugal : as primeiras universidades privadas - da Livre à Lusíada
Creators: name: Duarte Redondo, João
Publisher: name: Universidade Lusíada Editora
Year: 2020

description: Estudos em homenagem ao professor António Martins da Cruz / coord. José de Matos Correia, Ricardo Leite Pinto. - Lisboa : Universidade Lusíada, 2020. - P. 351-363.
Kinetic analysis of new multi-component reaction for the formation of Z-N-(3-(naphthalene-2-yl)-4-oxothiazolidine-2-ylidene) benzamide
Creators: name: Mahdieh Darijani
name: Sayyed Mostafa Habibi-Khorassani
name: Shahraki, Mehdi
name: Heydari, Reza
name: Shahbakhsh, Yaser
name: Mahshid Hossaini
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Cell Biology
subject: Molecular Biology
subject: Neuroscience
subject: Physiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Marine Biology
subject: Hematology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology

description: A new three-component reaction was studied kinetically among benzoyl isothiocyanate (1), 1-naphthylamine (2), and methyl bromoacetate (3) in the presence of triethylamine (4) as a catalyst, to yield Z-N-(3-(naphthalene-2-yl)-4-oxothiazolidine-2-ylidene) benzamide (5). The overall reaction is a combination of two reactions; 1) reaction a, between (1) and (2) forming 1-benzoyl-3-(naphthalen-1-yl) thiourea (P1); 2) reaction b, between (P1), (3) and (4) to form the product (5). The rate of reaction a, (kobsa=66.49 M−1 min−1) was more than the reaction b (kobsb=2.9 M−1 min−1), in acetonitrile solvent at 25 °C. A mechanism was proposed involving step1 (kobsa), step2 (k2), step3 (k3) and step4 (k4). Substituent effects with electron-withdrawing groups on para-position of benzoyl isothiocyanate (1) increased the rate constants of kobsa and k2. The large negative entropy, ΔS‡, values in reactions a, and b are in agreement with step1 (kobsa) and step2 (k2), an associative mechanism with a negative ΔS‡. The sum of these observations proved that the rate-determining step (RDS) is step2. It seems that the most important steps in the reaction mechanism are step1 (kobsa) and step2 (k2), which strongly control the reaction process. The kinetics and mechanism of these reactions were assessed by UV–vis spectrophotometry.
title: MMM 2.0 : ambientes multimédia mutáveis através de visualização de dados
Creators: name: Mesquita, João
Publisher: name: Universidade Lusíada Editora
Year: 2020

description: Estudos em homenagem ao professor António Martins da Cruz / coord. José de Matos Correia, Ricardo Leite Pinto. - Lisboa : Universidade Lusíada, 2020. - P. 365-372.
Nuclear spin polarization in a single quantum dot pumped by two laser beams
Creators: name: Shi, Xiao-Feng
Publisher: name: arXiv
Year: 2013
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: FOS: Physical sciences

description: We theoretically investigate dynamic nuclear spin polarization in a self-assembled quantum dot pumped optically by two laser beams. With the assumption that a noncollinear interaction between the hole spin and nuclear spins leads to nuclear spin polarization, we find that both weak and strong nuclear spin polarizations can arise, depending on the intensities and central frequencies of the lasers. For weak nuclear spin polarization, we use a perturbation method to show that the distribution of the nuclear spin Overhauser field may become significantly narrower. Using Monte Carlo simulations to study a single quantum dot, we find that strong nuclear spin polarization can also be generated via appropriate optical pumping.
description: 16 pages, 12 figures
Facile synthesis of novel Mono- and Bis-N-sulfamoylamidines
Creators: name: Xuan-Wu, Ye
name: Wusiman, Abudureheman
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Biochemistry
subject: Medicine
subject: Cell Biology
subject: Molecular Biology
subject: Biotechnology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences

description: Mono- and bis-N-sulfamoylamidines have been efficiently synthesized by the direct condensation of sulfamides and amides in the presence of phosphorus oxychloride via electrophilic activation. The scope of this reaction is discussed, and detailed synthetic studies show that the desired products are generated in high yields under mild conditions.
New acidic pyrophosphate CoK1.078N0.922(H2P2O7)2.2H2O. Crystal structure and vibrational spectroscopy
Creators: name: Elhafiane, Fatima Zahra
name: Brouzi, Khalid
name: Khaoulaf, Redouane
name: Rghioui, Lotfi
name: Harcharras, Mohamed
Publisher: name: Taylor & Francis
Year: 2019
Subjects: subject: Space Science
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Medicine
subject: Cell Biology
subject: Biotechnology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences

description: The synthesis and single crystal X-ray structure are reported for a new acidic pyrophosphate dihydrate CoK1.078N0.922(H2P2O7)2.2H2O. The results revealed cobalt (Co) octahedrally coordinated by two water molecules and four oxygen atoms belonging to two (H2P2O7) diphosphate groups. Potassium (K) and nitrogen (N) cations are involved in a complex coordination within resulting cavities from phosphorus tetrahedra and cobalt octahedra. The present compound can be described as a three-dimensional framework made from vertex-sharing polyhedra. The basic unit is the [Co(H2P2O7)2.2H2O] moiety, which displays a Ci group symmetry, with the Co cation on the inversion center. The IR spectrum of CoK1.078N0.922(H2P2O7)2.2H2O confirms the existence of the characteristic bands of acidic pyrophosphate group (H2P2O7), respectively, at 1350–700 cm−1 and 600–400 cm−1 areas and reveals also the characteristic bands of water molecules vibration between the two spectral ranges 4000–1350 cm−1 and 700–600 cm−1. IR spectrum confirms also a bent configuration of the POP bridge.
title: Princípios de desenvolvimento sustentável : que planeta para o futuro?
Creators: name: Tavares Fernandes da Silva, José Daniel
Publisher: name: Universidade Lusíada Editora
Year: 2020

description: Estudos em homenagem ao professor António Martins da Cruz / coord. José de Matos Correia, Ricardo Leite Pinto. - Lisboa : Universidade Lusíada, 2020. - P. 429-452.
Interplay of octahedral rotations and breathing distortions in charge ordering perovskite oxides
Creators: name: Balachandran, Prasanna V.
name: Rondinelli, James M.
Publisher: name: arXiv
Year: 2013
Subjects: subject: Materials Science (cond-mat.mtrl-sci)
subject: FOS: Physical sciences

description: We investigate the structure--property relationships in $AB$O$_3$ perovskites exhibiting octahedral rotations and cooperative octahedral breathing distortions (CBD) using group theoretical methods. Rotations of octahedra are ubiquitous in the perovskite family, while the appearance of breathing distortions -- oxygen displacement patterns that lead to approximately uniform dilation and contraction of the $B$O$_6$ octahedra -- are rarer in compositions with a single, chemically unique $B$-site. The presence of a CBD relies on electronic instabilities of the $B$-site cations, either orbital degeneracies or valence-state fluctuations, and often appear concomitant with charge order metal--insulator transitions or $B$-site cation ordering. We enumerate the structural variants obtained from rotational and breathing lattice modes and formulate a general Landau functional describing their interaction. We use this information and combine it with statistical correlation techniques to evaluate the role of atomic scale distortions on the critical temperatures in representative charge ordering nickelate and bismuthate perovskites. Our results provide new microscopic insights into the underlying structure--property interactions across electronic and magnetic phase boundaries, suggesting plausible routes to tailor the behavior of functional oxides by design.
description: 14 pages, 8 figures
title: Dealing with change : relacionamento com a mudança : premissas
Creators: name: Braizinha, Joaquim
Publisher: name: Universidade Lusíada Editora
Year: 2020

description: Estudos em homenagem ao professor António Martins da Cruz / coord. José de Matos Correia, Ricardo Leite Pinto. - Lisboa : Universidade Lusíada, 2020. - P. 381-384.