bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessment of Compressibility Corrections on Spalart–Allmaras Turbulence Model for High-Mach-Number Flows
Authors: Xue Yunlong , Feng Yongliang , Zheng Xiaojing
Published: October 2023

In this paper, various compressibility correction terms of the Spalart–Allmaras turbulence model are evaluated in hypersonic compressible flows. A unified transport equation containing six correction terms is equipped to investigate the separate and combined effects of the correction terms. The numerical results of the hypersonic flat-plate cases and corner cases are, respectively, calculated and compared with direct numerical simulation data and experimental data. By using the coarse-grained uncertainty metrics, errors on the profiles and wall coefficients are measured and analyzed in several cases. The results suggest that compressibility corrections should be applied when the strong cold-wall effect or the compressibility effect exists in the hypersonic flows. Catris and Aupoix’s correction (“Density Corrections for Turbulence Models,” Aerospace Science and Technology, Vol. 4, No. 1, 2000, pp. 1–11) and Séror, Rubin, Peigin, and Epstein’s correction (“Implementation and Validation of the Spalart–Allmaras Turbulence Model in Parallel Environment,” Journal of Aircraft, Vol. 42, No. 1, 2005, pp. 179–188) offer much more accurate predictions than other models in hypersonic corner cases. As the compressibility effect further increases, the conservation correction and Shur, Strelets, Zajkov, Gulyaev, Kozlov, and Sekundov’s compressibility correction (“Comparative Numerical Testing of One-and Two-Equation Turbulence Models for Flows with Separation and Reattachment,” 33rd Aerospace Sciences Meeting and Exhibit, AIAA Paper 1995-0863, 1995) drastically increase the prediction error of the profiles. The present work ends by emphasizing the importance of the individual and combined impacts of the correction terms for compressible flows at high Mach numbers, which may provide an understanding for developing further extensions of Spalart–Allmaras models.
Numerical Study of Hypersonic Near-Continuum Flow by Improved Slip Boundary Condition
Authors: Wang Chenyue , Ou Jihui , Chen Jie
Published: October 2023

Appropriate numerical models and boundary conditions are required to accurately model hypersonic flows involving local nonequilibrium effects, which can be induced by the wall effect and large gradients of flow properties in the flowfield. Considering the strong density gradient near the wall for hypersonic flows, an improved Gökçen slip model is proposed in this paper by introducing a scaled mean free path to the conventional Gökçen’s model. Hypersonic argon flows over a circular cylinder and a blunt plate in the near-continuum regime are simulated by the proposed slip model with the conventional Navier–Stokes–Fourier equations and an extended continuum model, which was recently developed to model the shear nonequilibrium effect in high-speed flows. The accuracy of the new boundary model is evaluated by comparing the results with the direct simulation Monte Carlo method. The effects of Knudsen number, Mach number, and wall temperature on the nonequilibrium degree and aerodynamic predictions are also investigated. The numerical results show that the improved model can well predict the surface friction and heat transfer coefficients, exhibiting much better performance than the existing continuum models.
THE SPECIFICS OF THE DEVELOPMENT OF CAREER ORIENTATIONS IN PROFESSIONAL EDUCATION
Authors:   Orenburg State University, Orenburg, Russia, Perminova M.S.
Published: October 2023

Career orientations allow a person to maximize their potential and self-actualize professionally. In the case of choosing the optimal correspondence of the interests and qualities of a person with the chosen profession, his professional self-realization will proceed successfully and bring moral satisfaction. In the event that some stages are omitted in career planning, or a professional choice is made randomly, or due to the conditions of the situation (quotas for free education, lack of vacancies in desired professions, the desire of parents, etc.), then a person in most cases, faces difficulties in realizing their qualities and potential. Career orientation is a lengthy process and includes professional self-determination, awareness of needs and goals, tasks for their implementation, assessment of one’s strengths, understanding the content of the future profession. Independence and the active role of the personality itself is the driving force in the process of its development. A person makes a choice of a profession, a place of study, and then independently builds his career, gains experience and realizes his capabilities. Accordingly, the process of professional self-determination does not end after choosing a profession. It continues to develop in the course of education, as well as at the beginning of professional activity. In order to judge the success of professional self-determination, it is necessary to take into account the completeness of the formation of a person’s idea of a future profession, as well as about himself as a future professional. At present, understanding the problem of forming a career path, professional development of a specialist in the system of higher education, determining the role of each subject of professional design acquires theoretical as well as practical significance.
PEDAGOGICAL MODELING AND EVALUATION OF THE FUTURE CIVIL SERVANT SOCIO-LEGAL POSITION FORMATION EFFECTIVENESS
Authors:   Orenburg branch Academy of Labor and Social Relations, Orenburg, Russia, Drobot M.A.
Published: October 2023

Modeling the process of forming the socio-legal position of a future civil servant allows us to present the process taking into account its essential characteristics and possible risks. The logic of formation is represented by a process model consisting of target, methodological, socio-legal, content-technological and performance-diagnostic blocks. The target block of the process model highlights the leading direction of activity: to form the socio-legal position of the future civil servant. The methodological basis is the activity approach and its complementary principles of socio-legal orientation, resourcefulness, team design and visualization. In the socio-legal block, based on the norms of law and the content of the Federal State Educational Standard in the direction of training 38.03.04 State and Municipal Administration, the value, knowledge and behavioral dominants of the socio-legal position of the future civil servant are highlighted. The content and technology block represents the interaction of the subjects of the “teacher — future civil servant — regional employer” process at the stages of the work of the “Premier Project” Factory organized at the university. The effective diagnostic unit determines the correspondence of the components (value, knowledge, behavioral), criteria (axiological, epistemological, praxiological) and indicators (awareness, validity, stability) to the formation of the socio-legal position of the future civil servant. The result of the process model is the formed socio-legal position of the future civil servant. The evaluation of the effectiveness of the modeled process was carried out when the model was introduced into the educational practice of the university. The conducted diagnostics of the formation of the socio-legal position of the future civil servant revealed in the ascertaining experiment the predominance of low and medium levels of formation of the socio-legal position of the future civil servant in the educational community; in the forming experiment, an increase in the proportion of students who have a high level of formation of this quality.
Impactos da vitamina B12 para a mãe e sua prole
Authors: Martinez Giovana Luiza Moura , Macêdo Pedro Paulo Rodrigues de , Rosado Luiza Emylce Pelá
Published: October 2023

Objetivo: Avaliar a importância da vitamina B12 para a mãe e sua prole, discorrendo sobre fatores de risco e o diagnóstico da deficiência e a suplementação adequada para cada paciente. Revisão bibliográfica: A vitamina B12 é fundamental para o metabolismo celular, pois age como cofator para enzimas que atuam na síntese do ácido desoxirribonucleico (DNA), mielina e ácidos graxos. A deficiência materna pode gerar consequência para o desenvolvimento do feto e da criança. Para realizar o diagnóstico é preciso levar em consideração os achados clínicos e laboratoriais. Perante potenciais situações de risco da deficiência devido a alimentação inadequada ou má absorção, a prevenção com a suplementação é a principal prioridade.  Considerações finais: A cobalamina é de extrema importância durante a gestação e no período de amamentação, gerando uma maior atenção e assistência à saúde para gestantes, puérperas e recém-nascidos, principalmente em relação aos casos que necessitam de suplementação.
Heavy eye syndrome as a cause of recurrent strabismus
Authors: David Cyruz Jan Beltran , Cayetano Clarisse Dianne Bongat , Felizardo Reymarc Nido , Mendoza Kim Ivan Ramos , Galsim Romelito Jose Galvan
Published: October 2023

This is the case of a 69-year-old female with strabismus. She had a corrective surgery; however, 20 years later, progressive esotropia and hypotropia occurred. Magnetic resonance imaging (MRI) of the orbits showed increased dislocation angles of the bilateral lateral recti (LR) and superior recti (SR). Both LR-SR bands were not clearly appreciated. Other findings are staphyloma and irregular borders of the medial recti. MRI findings are suggestive of heavy eye syndrome.
Bicipitoradial bursitis and biceps tendinitis: Repetitive use versus rheumatoid arthritis
Authors: Šimac Daniel Victor , Mayer Miroslav
Published: October 2023

Bicipitoradial bursitis (BRB) is the inflammation of the bicipitoradial bursa, a bursa located in the cubital fossa between the biceps tendon and radial tuberosity. It is a relatively uncommon condition mostly attributed to repetitive use; however, it can be associated with other conditions, including rheumatoid arthritis (RA). We present a 52-year-old woman who presented with novel joint pain with swelling lasting 2 months with elevated rheumatoid factor (RF) 246.2 IU/mL and anti-cyclic citrullinated peptide (CCP) antibodies >1200 IU/mL, highly suggestive of RA. It should be noted the patient works as a butcher, with earlier conditions, including carpal tunnel syndrome (CTS) which was operated on. The patient also had numbness of the right hand with electromyoneurography (EMNG) suggestive of CTS relapse and noticed swelling of the cubital fossae. As a part of the workup, a right elbow ultrasound was done showing a mass, which was confirmed by magnetic resonance imaging as BRB. Given the clinical picture, elevated RF and anti-CCP antibodies, and BRB, it was concluded that the patient likely has early RA, and BRB as a result of both repetitive use in combination with the early RA onset which possibly exacerbated an earlier, stable condition. BRB can be large enough to compress local neural structures causing symptoms, which may be an explanation for the EMNG result of CTS relapse, possibly caused by BRB instead as CTS relapse is relatively uncommon. Although a rare condition usually attributed to repetitive use, BRB can also be associated with other conditions including RA as in our case.
A case where the histiocytes helped thread those crystalline needles
Authors: Chauhan Kriti , Singh Gagandeep
Published: October 2023

Plasma cell neoplasms involve excessive immunoglobulin (Ig) secretion which is the main culprit. Hence, they are the most sought after cells in bone marrow whenever plasma cell dyscrasias is suspected. In their absence, the diagnosis becomes questionable. However, if one can identify those Igs disguising themselves as crystals in histiocytes, the path becomes clearer. We present one such case of pancytopenia where an incidental finding of these crystal storing histiocytes helped clinch the diagnosis of a monoclonal gammopathy which was otherwise suspected to be a consequence of anti-tuberculous therapy.
Manavgat Havzasının (Antalya, Türkiye) Neojen Litostratigrafisi ve Yapısal Unsurları
Authors: YILMAZ Yusuf Emrah , ATAKUL-ÖZDEMİR Ayşe , KOÇ Ayten
Published: October 2023

Toroslar bindirme-kıvrım kuşağı, Afrika ve Avrasya plakalarının Kretase’den günümüze değin devam eden yaklaşık K-G yönlü yakınsama hareketine bağlı olarak oluşmuştur. Bu hareket aynı zamanda Isparta Büklümü olarak bilinen karmaşık tektonik yapının gelişmesine de neden olmuştur. Neojen’de ise, Batı ve Orta Toroslar ile Isparta Büklümü’nün iç kesimleri, kırıntılı sedimanlar ve karbonatlarla karakterize edilen denizel tortul birimler ile örtülmüştür (Antalya Havza Kompleksi).

Bu denizel havzalardan biri olan Manavgat Havzası, kuzeyde Toroslar üzerine aşmalı uyumsuzluk ile yerleşmiştir. Temel olarak Manavgat Havzası, Erken Miyosen’den Pliyosen’e kadar geçen süre içerisinde 1 km’den fazla istif kalınlığına sahip olmuştur. Dolayısı ile bu döneme ait litostratigrafik kayıtlara ek olarak kabuksal deformasyona ait jeolojik kayıtları da tutması beklenmektedir. Manavgat Havzası’nda litostratigrafik olarak 7 temel birim saptanmıştır ve bunlar; önceki çalışmalar ile uyumlu olarak 1) Tepekli Formasyonu (Burdigaliyen-E. Langiyen), 2) Oymapınar Kireçtaşı (G. Burdigaliyen-Langiyen), 4) Çakallar Breşi (Langiyen), 4) Geceleme Formasyonu (G. Langiyen-Serravaliyen), 5) Karpuzçay Formasyonu (Geç Langiyen-Tortoniyen), 6) Pliyosen birimler (Yenimahalle ve Kurşunlu formasyonları) ve 7) Belkıs Konglomerası (Kuvaterner) şeklinde adlandırılmıştır. Karpuzçay Formasyonuna ait 2 farklı ölçülü kesitten paleontolojik amaçlı örnekler alınmış ve yaş tayini yapılmıştır. Bu çalışmalar, Karpuzçay Formasyonu’nun G. Langiyen-Tortoniyen dönemde, derin denizel dış neritik-batiyal bir ortamda çökeldiğini göstermiştir. Litostratigrafik özelliklerin yanı sıra, Manavgat Havzası’nı şekillendiren yapısal unsurlar da çalışılmış ve Tortoniyen yaşlı Çardakköy Bindirmesi ilk defa bu çalışmada tanımlanmıştır.

Sonuç olarak, bölgede iki farklı tektonik rejimin varlığı belirlenmiştir. Buna göre, bölgede Tortoniyen öncesinde genişlemeli bir tektonik rejim mevcutken, Tortoniyen sonrasında ise sıkışmalı bir rejimin varlığı söz konusudur. Bu çalışmada elde edilen paleogerilim fazları, bölgede etkin olanAfrika ve Avrasya arasındaki K-G yönlü yakınsama hareketi ile birlikte Isparta Büklümü altındaki parçalı dalan levha kinematiğinin yeniden değerlendirilmesi gerektiğini göstermektedir.
project office as a key element of the corporate project management system: the case of neFU experience
Authors: Pavlov G. N. , Solomonova G. S. , Ivanov N. A.
Published: October 2023

Abstract. In the conditions of rapid changes, instability and a high degree of uncertainty of the future, the problem of trust in the system of personnel training is extremely exacerbated. Trust in universities from the labor market today is becoming fragile [1]. Trust between the university and the employer is built through the National Qualifications System (NQS) of the Russian Federation as a tool for coordinating the demand for employee qualifications from the labor market and the supply from the education system. Universities face the urgent need for transformational changes in the field of management, the introduction of mechanisms for external assessment of the quality of education in educational activities. All of the above radically changes the traditional image of a classical university. One of the possible solutions to this issue is seen in the introduction of a corporate project management system, which was the subject of consideration in this article. The implementation of project management can provide the university with the opportunity to effectively use its own competitive advantages in the educational services market and adapt to external factors.
assessment of the relationship between bilingualism indicators and indicators of cognitive and emotional development of children of senior preschool age
Authors: Dedyukina M. I.
Published: October 2023

This article is devoted to assessing the relationship between indicators of bilingualism and indicators of cognitive and emotional development in preschool children. Various measures were used to assess the level of bilingualism, including active language proficiency, comprehension, and switching between languages. During the study, it was found that the level of auditory-verbal intelligence remained at an average level, although the level of visual working memory turned out to be higher in children studying in the Yakut language. Children who study in the Yakut language showed higher visual working memory scores. However, the levels of development of auditory-verbal working memory were at an average level. In children who study in the Yakut language, the auditory-verbal memory turned out to be lower compared to visual memory. In children studying in Russian, the auditory-verbal working memory was more highly developed, while the level of cognitive control associated with restraining momentary manifestations and reactions corresponded to the age norms. Physical control was at a fairly high level. Also, during the diagnostic process, data were obtained on the emotional development of children. Children who master the Russian language during the learning process showed better results.
comparative analysis of the effectiveness of isotherapy in the rehabilitation of children with intellectual disabilities
Authors: Starostina L. D.
Published: October 2023

Art therapy technologies are widely used in educational, rehabilitation and social institutions. It is believed that the use of various methods of art therapy helps children and adolescents with disabilities to integrate into educational and rehabilitation processes. In the special and psychological-pedagogical literature, a wealth of material has been accumulated about the adaptive, corrective and therapeutic effects of art-therapeutic technologies, where the creative nature of the process of interaction between the psychologist and the wards serves as the basis. One of the most common and available methods of art therapy can be called isotherapy. The special literature emphasizes the effectiveness of isotherapy in the correction of the perceptual and emotional-volitional sphere, promotes the development of higher mental functions. This article presents the experience of monitoring the dynamics of mental activity of children with varying degrees of intellectual disability during rehabilitation, where one of the psychological and pedagogical influences was isotherapy. Research methods: observation maps for children with disabilities during isotherapy classes. The questions of the observation map are compiled on the basis of a three-level rehabilitation program using the method of isotherapy. To identify the links between the indicators of mental activity of the subjects, the r-Pearson correlation coefficient was used. In order to determine the effectiveness of isotherapy, Wilcoxon’s W-test is used. Results of the study a comparative analysis of the effectiveness of isotherapy in three different groups of children with disabilities is presented. The most noticeable positive changes are observed in the samples of children with moderate and mild mental retardation. For a group of children with severe intellectual and psychophysical disabilities, isotherapy classes help to pull some children up to an average level. The lack of positive dynamics in children of this group lies in the peculiarities of sensorimotor activity disorders, weak or almost absent differentiation of mental processes. Imagination deserves special attention in isotherapy classes, the study of which in children with intellectual disabilities is relevant in modern correctional psychology.
precursors and theoretical background of Kant’s philosophy: ontological and metaphysical aspects
Authors: Kozhevnikov N. N. , Danilova V. S.
Published: October 2023

The year 2024 will witness the 300th anniversary of Kant, the philosopher, whose works, according to many researchers, began modern philosophy. However, the outstanding achievements of Kant, his “Copernican revolution”, the transcendental method did not appear from scratch. The revolutionary ideas of Kant absorbed the experience of outstanding representatives of antiquity, the Middle Ages, and the New Age. The political and socio-cultural situation in Europe in the 18th century also had a certain impact on the formation of his philosophy. Among the outstanding philosophers of the preclassical period, Plato, Aristotle, Augustine, Thomas Aquinas should be noted. Hobbes, Locke, Newton, Descartes, Spinoza, Leibniz, Hume, Rousseau should be mentioned among the representatives of the New Age. Some of these philosophers influenced his ethical philosophy, which is beyond the scope of this work. It is advisable to consider all the above problems in the context of the coordinate system of the world based on the limiting dynamic equilibria, since Kant raised questions about the boundaries of the sensory sphere, reason, reason, and human freedom. He resolved many of them or outlined approaches to their solution. Kant also claimed to remove the contradictions between empiricism and rationalism – the main epistemological currents of the New Age; however, according to the researchers of his creative heritage, he did not succeed. At the beginning of his philosophical activity, Kant tried to find the ultimate foundations of metaphysics, the value of which Kant constantly emphasizes. He believed that this was necessary in order to elucidate the final foundations of reality. Kant continued the search for ultimate foundations in his “critical philosophy” in aesthetics, analytics, and dialectics. He revealed the boundaries of reason, sense, and free will. He drew the line between the “idea of God” – the “ideal of pure reason” and its actual capabilities.
THE KURGAN WITH A CROMLECH AND A DITCH AT THE ALMALYK-DERE (MANGUP) CEMETERY
Authors: Набоков А.И.
Published: October 2023

В статье всесторонне анализируется комплекс археологических данных из раскопок кургана № 3 раннесредневекового некрополя Алмалык-дере, расположенного в одноименной балке на юго-восточном склоне Мангупского городища (Юго-Западный Крым). Памятник исследовался частями в период 2008–2022 гг. и в итоге представляет собой уникальную погребальную конструкцию, состоящую из курганной насыпи, кольцевой каменной обкладки (кромлеха), ровика с перемычкой в южной части и подбойной могилы в качестве центрального погребения. Обнаруженные находки позволяют надежно соотнести археологический комплекс с мужским воинским погребением второй половины – конца IV в. Наличие ровика с перемычкой в южной части и центрального захоронения в подбойной могиле находит аналогии среди материалов раскопок курганов позднесарматского времени на сопредельных Крыму территориях.

The paper provides a comprehensive analysis of an archaeological dataset on the excavations of kurgan no. 3 from Almalyk-dere, an early medieval cemetery located in a homonymous small steppe river valley on the southeastern slope of the fortified hilltop settlement of Mangup (southwestern Crimea). The site was excavated by sections in 2008–2022. As a result, it was found that it was a unique burial structure which included 181 А. И. Набоков a kurgan mound, a circle built of stones (cromlech), a small ditch with a small joining bank in the southern part and a niche grave as the central burial. Based on the discovered finds, this archaeological complex with a male warrior grave can be reliably dated to the second half – end of the 4th century AD. The presence of the ditch with a joining bank in the southern part and the central burial finds analogies among excavated materials from the Late Sarmatian kurgans in the areas adjacent to Crimea.
MEDIEVAL WEST EUROPEAN COINS FROM THE EXCAVATIONS IN THE SOFIYSKAYA STORONA OF VELIKY NOVGOROD IN 2019 (THE EXCAVATION PIT ON LITVINOVA-LUKINA STR., BUILDING 5)
Authors: Ушанков Е.М.
Published: October 2023

Статья посвящена публикации комплекса средневековых монет из раскопок 2019 г. на Софийской стороне Великого Новгорода. В статье приводятся сведения о найденных и атрибутированных западноевропейских денариях, а также о подражаниях им. Находки таких монет в ходе археологических исследований Новгорода давно стали нормой. Среди публикуемых монет большинство относятся к широко известным типам германских денариев середины – второй половины XI в. Подавляющая часть атрибутированных монет была отчеканена на монетных дворах Нижней Лотарингии. Особую роль продукции этих монетных дворов в древнерусском денежном обращении неоднократно подчеркивали предыдущие исследователи. Помимо подлинных денариев в комплексе зафиксированы подражания им. На основе типологического анализа автор предлагает возможные прототипы для некоторых подражаний. Результаты рентгенофлуоресцентного анализа, опубликован ные в статье, расширяют и дополняют наши знания как о подлинных денариях, так и о подражаниях. Публикуемый комплекс монет отражает общие закономерности денежного обращения Великого Новгорода и его округи в XI в.

The paper publishes an assemblage of medieval coins retrieved during the excavations in the Sofiyskaya Storona of Veliky Novgorod in 2019. The article provides information on discovered and attributed West European denarii as well as their imitations. The finds of such coins during archaeological excavations in Novgorod are rather frequent. Most published coins are attributed to well-known types of Germanic denarii of the middle – second half of the 11th century. The majority of the attributed coins came from the mints of Northern Lotharingia. Previously, a special role played by the coinage minted in Northern Lotharingia in the money circulation in Medieval Rus was emphasized repeatedly by other scholars. Along with genuine denarii, the assemblage also contains imitations. Employing a typological analysis, the author suggests possible prototypes for some imitations. The results of X-ray fluorescence analysis published in the paper have greatly added to our knowledge of both genuine denarii and their imitations. The published assemblage of coins reflects a general pattern of circulation of money in Veliky Novgorod and its vicinities in the 11th century.
NEW DISCOVERIES NEAR THE USHTOGAI SQUARE
Authors: Подзюбан Е.В. , Дей Д.Б.
Published: October 2023

При участии костанайских краеведов в научный оборот вводятся археологические памятники, которые расположены на юге Тургайского прогиба, в 6,5 км к юго-востоку от с. Уштогай, на берегу озера Талдыаша (старица реки Сарыозен). В ходе предварительного обследования прилегающей к озеру Талдыаша территории было выявлено две зоны распространения находок, которые интерпретируются как стоянки Уштогай 1 и 2. Археологические находки на поверхности фиксировались с помощью GPS-навигатора и фотоаппарата. Зафиксированные на поверхности артефакты стоянки Уштогай 1 датируются эпохой неолита, а на стоянке Уштогай 2 – от энеолита до раннего железного века. Акцент в публикации делается на близкое расположение стоянок Уштогай 1 и 2 с геоглифами Уштогайский квадрат и Сандыктауская линия. Это, в свою очередь, позволяет поставить вопрос о потенциальных строителях геоглифов, а также наметить ряд перспективных задач в отношении дальнейшего изучения геоглифов, поскольку аналогичные места распространения находок каменного века известны и рядом с другими геоглифами.

In cooperation with the Kostanai local lore specialists, this paper introduces into the scientific discourse archaeological sites located in the south of the Turgay Trough 6,5 km southeast of the Ushtogai village on the shore of Lake Taldyash (oxbow of the Saryozen river). A preliminary survey of the area adjacent to the lake revealed two distribution areas of archaeological finds interpreted as the Ushtogai 1 and Ushtogai 2 sites. The archaeological finds on the surface were documented with the help of a GPS navigator and a photo camera. The artifacts at Ushtogai 1 recorded on the surface are dated to the Neolithic within the relative chronology, while those found at Ushtogai 2 are dated to the period from the Eneolithic to the Early Iron Age. The paper focuses mainly on the proximity of Ushtogai 1 and Ushtogai 2 to the geoglyphs of the Ushtogai Square and Sandyktau Line, bringing up an issue of potential constructors of the geoglyphs as well as setting tasks for follow-up studies of the geoglyphs since areas where Stone Age finds are distributed are also known near other geoglyphs.
Zur Reformbedürftigkeit der Forschungsgesellschaft für Straßen- und Verkehrswesen - Plädoyer für ein repräsentatives Verfahren bei der Festlegung von Richtlinien im Straßenverkehr
Authors:   TU Berlin, Fachgebiet integrierte Verkehrsplanung, Schwedes Oliver , Becker Udo ,   TU Dresden, Professur Verkehrsökologie
Published: October 2023

Die Forschungsgesellschaft für Straßen- und Verkehrswesen (FGSV) ist eine der einflussreichsten Organisationen im Politikfeld Verkehr. Die von ihr erstellten Richtlinien sind für die Verkehrsplanung handlungsleitend und prägen die Verkehrsentwicklung. Im Zuge des gesellschaftlichen Wandels mit dem Ziel einer nachhaltigen Entwicklung stellt sich die Frage, ob etablierte Organisationen wie die FGSV den damit verbundenen neuen Anforderungen gerecht werden. Im Falle der FGSV zeigt sich, dass in den letzten Jahren immer wieder Reformbedarf angemeldet wurde, ohne dass die Organisation darauf angemessen reagiert hat. In diesem Beitrag werden die FGSV und ihre Gremien sowie die Rolle im gesamtgesellschaftlichen Kontext beschrieben. Das Ziel ist es, damit eine aus unserer Sicht notwendige Reformdebatte zu unterstützen, die auf eine Demokratisierung der verkehrswissenschaftlichen Standesgesellschaft gerichtet sein sollte.
Quantifying the Ultrafast and Steady-State Molecular Reduction Potential of a Plasmonic Photocatalyst
Authors: Warkentin Christopher , Frontiera Renee
Published: October 2023

Plasmonic materials are promising photocatalysts as they are well-suited to convert light into hot carriers and heat. Hot electron transfer is suggested as the driving force in many plasmon-driven reactions. However, to date there are no direct molecular measures of the rate and yield of plasmon-to-molecule electron transfer, or energy of these electrons on the timescale of plasmon decay. Here, we use ultrafast and spectroelectrochemical surface-enhanced Raman spectroscopy to quantify electron transfer from a plasmonic substrate to adsorbed methyl viologen molecules. We observe a reduction yield of 2.4 - 3.5 % on the picosecond timescale, with plasmon-induced potentials ranging from -3.1 to -4.5 mV. Excitingly, some of these reduced species are stabilized and persist for tens of minutes. This work provides concrete metrics toward optimizing material-molecule interactions for efficient plasmon-driven photocatalysis.
Building Chemical Intuition About Physicochemical Properties of C8-Per-/Poly-fluoroalkyl Carboxylic Acids Through Computational Means
Authors: Antle Jonathan , Larock Michael , Falls Zackary , Ng Carla , Atilla-Gokcumen Ekin , Aga Diana , Simpson Scott
Published: October 2023

We have predicted acid dissociation constants (pKa), octanol-water partition coefficients (KOW), and DPMC lipid membrane-water partition coefficients (Klipid-w) of 150 different 8-carbon containing poly-/per-fluoroalkyl carboxylic acids (C8-PFCAs) utilizing COMSO-RS theory. Different trends associated with functionalization, degree of fluorination, degree of saturation, degree of chlorination, and branching are discussed based upon the predicted values for the partition coefficients. In general, functionalization closest to the carboxylic head group had the greatest impact on the value of the predicted physicochemical properties.
Catalytic transfer hydrogenolysis of switchgrass lignin with ethanol using spinel-type mixed-metal oxide catalysts affords control of the oxidation state of isolated aromatic products
Authors: Godwin James , Babusci Jonah , Wonderling Nichole , Shallenberger Jeffrey , Seabright Kendhl , Harper David , Chmely Stephen
Published: October 2023

Chemical reductions of lignin are useful to remove oxygen and create product slates that can function as renewable platform molecules for new fuels and chemicals. Catalytic transfer hydrogenolysis (CTH) is an underexplored method to conduct reductions of lignin that obviates the use of dangerous and non-renewable hydrogen gas. While noble metals are used extensively as catalysts for transfer hydrogenation, one major challenge for their deployment is related to their sustainability. In this work, we synthesized mixed-metal oxides of earth-abundant Co and Ni. We characterized these catalysts using powder x-ray diffraction (XRD) and tested their reactivity for CTH of acetophenone. Among the catalysts we tested, we noted that the spinel NiCo2O4 demonstrated the highest conversion of acetophenone (75%) and highest selectivity for ethylbenzene (90%), so we applied it to valorization of switchgrass lignin extracted under mild operating conditions by cosolvent enhanced lignocellulosic fractionation (CELF). The catalytically depolymerized lignin showed an increase in selectively deoxygenated monomeric compounds. Using 2D-NMR spectroscopy, we demonstrated the lignin displayed highly reduced aliphatic carbons resulting from the reduction reaction at the Cα sites mediated by our catalyst material. These results are critical to the further development of the lignin-first biorefinery as they demonstrate the use of sustainable catalyst materials and mild transformation conditions to generate and refine a suite of new bioproducts.
Mixed-potential-driven catalysis
Authors: Yan Mo , Takeyasu Kotaro , Namari Nuning , Nakamura Junji
Published: October 2023

Mixed-potential-driven catalysis is expected to be a new heterogeneous catalytic mechanism that produces products different from those produced by thermal catalytic reactions without the application of external energy. Electrochemically, the mechanism is similar to that of corrosion. However, a theory that incorporates catalytic activity as a parameter has not been established. Herein, we report the theoretical framework of mixed-potential-driven catalysis, including exchange currents, as a parameter of catalytic activity. The mixed potential and partitioning of the overpotential were determined from the exchange current by applying the Butler–Volmer equation at a steady state far from equilibrium. Mixed-potential-driven catalysis is expected to open new areas not only in the concept of catalyst development but also in the field of energetics of biological enzyme reactions.
Exploiting Grain Boundary Diffusion to Minimize Dendrite Formation in Lithium Metal-Solid State Batteries
Authors: Yoon Jeong Seop , Sulaimon Hafeez , Siegel Donald J.
Published: October 2023

Maintaining interfacial contact between the Li metal anode and the solid electrolyte is a key challenge in developing Li metal-based solid-state batteries (LMSSB). At moderate discharge rates, relatively slower diffusion within the anode results in roughening and void formation in Li near this interface. The resulting reduction in interfacial contact focuses the Li-ion current during plating to a reduced number of contact points, generating high local current densities that nucleate dendrites. One approach to minimize void formation is to apply high stack pressure, which enhances plastic flow in the anode. Nevertheless, the use of pressure has drawbacks, as it facilitates fracture within the solid electrolyte. Here, an alternative strategy for minimizing void formation is described. Using a multi-scale model, it is shown that targets for capacity and current density in LMSSBs can be achieved by reducing the grain size of Li to exploit fast grain boundary (GB) diffusion. Diffusion rates along a diverse sampling of 55 tilt and twist GBs in Li were predicted using molecular dynamics, and found to be 3 to 6 orders of magnitude faster than in the bulk. Using these atomic-scale data as input, a meso-scale model of Li depletion in the anode during discharge was developed. The model predicts that smaller, columnar grains are desirable, with grain sizes of approximately 1 μm or less needed to meet performance targets. As micron-sized grains are two orders of magnitude smaller than those in common use, strategies for controlling grain size are discussed. In total, the model highlights the importance of the anode’s microstructure on the performance of LMSSBs.
A database of molecular properties integrated in the Materials Project
Authors: Spotte-Smith Evan Walter Clark , Cohen Orion Archer , Blau Samuel , Munro Jason , Yang Ruoxi , Guha Rishabh , Patel Hetal , Vijay Sudarshan , Huck Patrick , Kingsbury Ryan , Horton Matthew , Persson Kristin
Published: October 2023

Advanced chemical research is increasingly reliant on large computed datasets of molecules and reactions to discover new functional molecules, understand chemical trends, train machine learning models, and more. To be of greatest use to the scientific community, such datasets should follow FAIR principles (i.e. be findable, accessible, interoperable, and reusable). In this work, we present a FAIR expansion of the Materials Project database ("MPcules") that adds more than 170,000 molecules studied using density functional theory (DFT) to the existing data, which comprises crystalline solids. MPcules is a diverse collection of DFT-calculated molecular properties, with an emphasis on reactive, open-shell, and charged species - relevant for studying reaction pathways - and a wide array of structural, electronic, vibrational, and thermodynamic properties. This database can be queried through an OpenAPI-compliant application programming interface and a featureful web application. We continue to expand the data available on MPcules and encourage contributions from the community.
Pore Structure Compartmentalization for Advanced Characterization of Metal-Organic Framework Materials
Authors: Parashar Shivam , Neimark Alexander V.
Published: October 2023

Metal-Organic Frameworks (MOFs) are nanoporous crystals which are widely used as selective adsorbents, separation membranes, catalysts, gas and energy storage media, and drug delivery vehicles. The unique adsorption and transport properties of MOFs are determined by their complex three-dimensional (3D) networks of pores, cages, and channels, that differ in size, shape, and chemical composition. While the morphological structure of MOF crystals is known, practical MOF materials are rarely ideal crystals. They contain secondary phases, binders, residual chemicals, and various types of defects. It is of paramount importance to evaluate the degree of crystallinity and accessibility of different pore compartments to adsorbing guest molecules. To this end, we recently suggested the method of fingerprint isotherms based on the comparison of the experimentally measured adsorption isotherms and theoretical isotherms on ideal MOF crystals produced by Monte Carlo (MC) simulations and decomposed with respect to different pore compartments. In this work, we develop an automated algorithm of pore network compartmentalization that is a pre-requisite for calculations of the fingerprint isotherms. The proposed algorithm partitions the unit cell into realistically shaped compartments based on the geometric pore size distribution. The proposed method, which is applicable to any MOF structure, is demonstrated on several characteristic systems, including Cu-BTC, IRMOF-1, UiO-66, PCN-224, and ZIF-412 and several MOFs from the CoRE MOF database.
Broadband APT (BAPT): a Versatile APT Experiment with Improved J-Compensation and Optimal Suppression of Artifacts in Cq-only Spectra
Authors: Bigler Peter , Gjuroski Ilche , Furrer julien
Published: October 2023

A modified version of the CAPT (Compensated APT) experiments, the Broadband-APT (BAPT) sequence is proposed, that allows the user to record APT- and Cq-only spectra in a simple manner and that improves both the tolerance for wide ranges of 1JCH values in the APT spectra and the suppression of residual CHn signals in the Cq-only spectra. Compared to the original version with delays d1, of equal lengths, these improvements can be achieved with three different delays d1, d2, and d3, which can be set for three different one-bond coupling constants. The recording of APT and Cq-only spectra is governed most simply by a single constant, which adjusts the delay d2 and the phase programs for the two proton 90° pulses accordingly. These attributes make this experiment attractive for 13C analysis of small molecules, including spectral editing, particularly in high-throughput analysis laboratories.
Marco de trabajo para la planificación de redes 5G móviles
Authors: Martínez Abuabara Ronald , Camargo Ariza Luis Leonardo , Robles Algarín Carlos Arturo
Published: October 2023

La planificación de una tecnología es el conjunto de principios y lineamientos que indican las acciones para la adquisición, transferencia y asimilación de tecnología con el objetivo de incorporar el uso de esta en el desarrollo estratégico de una organización o región. Las redes de quinta generación de telefonía móvil celular presentan características de baja latencia, disponibilidad, fiabilidad, comunicación masiva, eficiencia espectral y alta velocidad. Estas características facilitan la implementación de servicios relacionados con banda ancha móvil, comunicaciones masivas con máquina y comunicación ultra confiable de baja latencia. En el presente trabajo se presentan los avances de la tesis doctoral que tiene como finalidad desarrollar un marco de trabajo para la planificación de una red móvil 5G, el propósito es poder establecer un procedimiento replicable para el despliegue de este tipo de redes en el Departamento del Magdalena, al brindar una herramienta validada, que sirva de insumo técnico-científico a los operadores de telefonía en el momento que contemplen la implementación de la red 5G Móvil en los ambientes urbanos y rurales. Adicionalmente se espera contribuir a la transformación del territorio, a partir de la conectividad y así aportar al mejoramiento de los indicadores en las áreas de: salud, logística, turismo, agricultura, entre otro, al posibilitar la implementación de servicios innovadores. Este marco se fundamenta en un enfoque híbrido que utiliza las herramientas de toma de decisiones multicriterio del método analítico jerárquico y TOPSIS, donde se recolectan y validan los aspectos técnicos de los análisis de cobertura, capacidad, indicadores de rendimiento e interferencia, los aspectos comerciales y sociales del territorio. Esto para determinar la importancia de los criterios y subcriterios que permitan seleccionar la mejor alternativa para la implementación de este tipo de red. Como resultados preliminares se tienen: indicadores por municipio de: penetración de banda ancha, cobertura de energía eléctrica, uso del suelo, actividades económicas primarias, altura media sobre el nivel del mar, coordenadas de los picos más altos, entre otros. Adicionalmente, se realizaron simulaciones en el software xirio de cobertura de algunas áreas potenciales para la implementación de servicios de quinta generación.
Enfoque PBL para fomentar la creatividad en estudiantes de ingeniería
Authors: Higuera Martínez Óscar , Fernández Samacá Liliana
Published: October 2023

La creatividad es una habilidad esencial para enfrentar los problemas, la complejidad y la diversidad de las tecnologías del siglo XXI que exigen ingenieros creativos para encontrar soluciones novedosas. Nos enfocamos en comprender los desafíos que deben enfrentar los educadores para promover la creatividad en la ingeniería. Aunque la creatividad se considera innata a la ingeniería, es una habilidad que un plan de estudios de ingeniería debe inculcar en el profesional. Aparecen muchas preguntas relacionadas con la integración de esta habilidad en los planes de estudios de ingeniería; por ejemplo, ¿por qué no es una parte explícita de todos los planes de estudios de ingeniería? ¿Por qué se pasa por alto la creatividad en la enseñanza de la ingeniería? Estas y otras preguntas y sus probables respuestas motivan nuestro interés por estudiar la promoción de la creatividad en este campo. La revisión de la literatura muestra una relación directa entre el fortalecimiento de la formación en creatividad e innovación, el desarrollo tecnológico en los diferentes sectores económicos y, en consecuencia, una fuerte relación entre la formación en ingeniería y el fomento de la creatividad. Esta investigación tiene como objetivo diseñar un enfoque de aprendizaje basado en proyectos que involucre herramientas creativas para fomentar el pensamiento creativo en estudiantes de programas de ingeniería en TIC utilizando desafíos contextuales como escenario de aprendizaje. Seleccionamos la investigación basada en el diseño (DBR) como marco metodológico para lograr este propósito. DBR ejemplifica un proceso creativo, que exige habilidades de pensamiento creativo de los investigadores, especialmente en el pensamiento divergente en la etapa de generación de ideas y el pensamiento convergente en la etapa relacionada con la selección de una solución. Además, esta investigación pretendió potenciar el papel de los ingenieros como agentes de cambio mediante el análisis de los problemas contextuales en un enfoque educativo crítico. Estas experiencias de aprendizaje también fomentan otras habilidades, como el trabajo colaborativo e interdisciplinario, el emprendimiento, la actitud investigativa, el trabajo en equipo y la toma de decisiones, entre otras, habilidades que los contextos sociales y los empleadores están demandando en la actualidad de los egresados de ingeniería. Asimismo, los resultados obtenidos de la ejecución de esta experiencia podrán extenderse a otros campos de la ingeniería y áreas de conocimiento en los diferentes niveles de formación profesional.