Thesis advisor: Fazel Tafti / Since the idea of topology was realized in real materials, the hunt is on for new candidates of topological semimetals with novel electromagnetic responses. For example, topological states can be highly conductive due to a topological protection, which can be destroyed in a magnetic field and lead to an extremely high magnetoresistance. In Weyl semimetals, a transverse current that would usually require a magnetic field to emerge, can be generated by intrinsic Berry curvature without a magnetic field -- the celebrated anomalous Hall effect. In this dissertation, both phenomena mentioned above are studied in rare-earth monopnictides and RAlX material family (R=rare-earths, X=Ge/Si), respectively. The monopnictides are ideal for the study of extreme magnetoresistance because of their topological transitions and abundant magnetic phases. In LaAs, we untied the connection between topological states and the extreme magnetoresistance, the origin of which is clarified. In HoBi, we found an unusual onset of extreme magnetoresistance controlled by a magnetic phase dome. On the other hand, RAlX material family is a new class of Weyl semimetals breaking both inversion and time-reversal symmetries. In particular, in PrAlGeₓSi₁₋ₓ (x=0-1), we unveiled the first transition from intrinsic to extrinsic anomalous Hall effect in ferromagnetic Weyl semimetals, and the role of topology is discussed. In CeAlSi, we found that the Fermi level can be tuned as close as 1 meV away from the Weyl nodes; moreover, a novel anomalous Hall response appears only when the Fermi level is tuned to be near the Weyl nodes. Thus, we established a new transport response solely induced by Weyl nodes. / Thesis (PhD) — Boston College, 2021. / Submitted to: Boston College. Graduate School of Arts and Sciences. / Discipline: Physics.

This thesis was made for EMBA Machinery AB and includes a product development process with the result of a concept model. EMBA is a company that develops and manufactures machines for the global corrugated board industry and wants to extend their solutions with a system that automatically removes the misprinted corrugated boards. The idea is to incorporate the system with the already existing processing flow and should be combined with the existing video system that validate the print quality. The concept model is a concept of the mechanical parts needed for the solution and can be used as a foundation for further work towards a product for the market. To produce this concept model methods for divergent problem solving were used. Several concept solutions were created and evaluated with the purpose of finding the best one. This concept was then developed further into a 3D-model of all the interlocking machine- and construction elements, whom in detail demonstrates the removal of misprinted boards. Calculations, which included determining moment of inertia and an acceleration curve, were also done based on data from this model with the intent of testing the plausibility of the solution and to offer a theoretical foundation on which to base further work with this concept. / Det här examensarbetet utfördes åt EMBA Machinery AB och innefattar en produktutvecklingsprocess med slutresultat i en konceptmodell. Företaget utvecklar och tillverkar i dag maskiner för den globala wellpapp-industrin och önskar nu komplettera sitt utbud med ett system som automatiskt sorterar bort wellpappark som erhållit felaktigt grafiskt tryck. Detta är tänkt att kunna inkorporeras i deras befintliga processeringsflöde och skall kombineras med befintlig videoteknik för validering av det grafiska trycket. Konceptmodellen som tas fram är således en potentiell lösning av de mekaniska delar som samverkar i sållningen av feltryckta ark och är tänkt som en grund för vidare arbete att ta fram en marknadsfärdig produkt. I processen att ta fram denna konceptmodell tillämpades metoder för divergent problemlösning där flera lösningskoncept genererades och värderades i syfte att hitta det bästa. Detta koncept utvecklades sedan till en mer detaljerad representation av lösningen i form av en 3D-modell av de samverkande maskin- och konstruktionselementen, vilken i detalj demonstrerar hur det valda konceptet löser sållningen av feltryckta ark. Beräkningar, vilka innefattade framtagning av tröghetsmoment och accelerationskurva, utfördes även med data från denna modell i syfte att testa lösningens rimlighet och att erbjuda en teoretisk grund att jobba vidare med i fortsatt arbete av konceptet.

Results of ab initio and density functional theory calculations on the structure and vibrational frequencies of hypophosphite anion indicate earlier experimental assignments of the fundamental vibrational modes are correct while the recent reassignments of several modes proposed by Bickley et al. are inconsistent with the calculated results.

Detailed electron paramagnetic resonance and electron nuclear double resonance experiments on the co-crystalline complex of 1-methylthymine:9-methyladenine (MTMA) have revealed that the major radiation induced products at low temperatures (10 K) are MTMA1, a radical formed by net hydrogen abstraction from the C5 methyl group on thymine, and MTMA2, a radical formed by net hydrogen abstraction of the N1 methyl group on thymine. The following four minor products were also observed: MTMA3, the C4-OH protonated anion of thymine, MTMA4, the C6 H-addition product of thymine, and MTMA5 and MTMA6, radicals formed by net H-addition to C2 and C8 of the adenine base. The geometries, energetics and hyperfine properties of all possible radicals of MT and MA, the primary anions and cations, as well as radicals formed via net hydrogen atom abstraction (deprotonated cations) or addition (protonated anions) were investigated theoretically. All systems were optimized using the hybrid Hartree-Fock density functional theory functional B3LYP, in conjunction with the 6-31G(d,p) basis set of Pople and co-workers. Calculations of the anisotropic hyperfine couplings for all the radicals observed in MTMA are presented, and are shown to compare favorably with the experimentally measured hyperfine couplings. The calculated ionizations potentials indicate that MA would be the preferred oxidation site. However, in MTMA neither the adenine cation nor its N4-deprotonated derivative were observed. The adenine cation in MTMA is not stabilized by deprotonation, and is thus likely subject to recombination. The calculated electron affinities indicate that MT would be the preferred reduction site. Reduction of MT is believed to result in protonation of the anion at C4=O. The calculated hyperfine couplings for the MT anion are very similar to those of the C4-OH protonated anion, and therefore, the theoretical calculations are not useful in deciding the actual protonation state of this reduction product.

This diploma thesis focuses on the efficiency of the flipped classroom principle within the Chemical calculations that took place during the winter semester of the academic year 2020/2021 at the department of chemistry and chemistry didactics of the Pedagogical Faculty of Charles University. At the beginning of the thesis, the chemistry calculations are ordered into a system of chemistry education and described in the way they tend to be represented in selected textbooks for primary and secondary schools. The principle of the flipped classroom is defined and evaluated with the help of literature available. The research part of the thesis concerns itself with the students' attitudes to the flipped classroom technique applied during the Chemical calculations course. These were obtained through an IMI (Intrinsic Motivation Inventory) questionnaire as well as follow-up interviews with selected students. The thesis also explores the influence of levels of knowledge upon entering the course on their stance on the technique. At the same time the students' choice of study materials for self-education, their types and amount, is monitored. The results show that the principle of the flipped classroom is a suitable approach for the course of chemical calculations, it suits the vast majority of students. From...

京都大学 / 0048 / 新制・課程博士 / 博士(工学) / 甲第17887号 / 工博第3796号 / 新制||工||1581(附属図書館) / 30707 / 京都大学大学院工学研究科材料工学専攻 / (主査)教授 田中 功, 教授 酒井 明, 教授 邑瀬 邦明 / 学位規則第4条第1項該当 / Doctor of Philosophy (Engineering) / Kyoto University / DFAM

京都大学 / 0048 / 新制・課程博士 / 博士(工学) / 甲第17888号 / 工博第3797号 / 新制||工||1581(附属図書館) / 30708 / 京都大学大学院工学研究科材料工学専攻 / (主査)教授 田中 功, 教授 酒井 明, 教授 邑瀬 邦明 / 学位規則第4条第1項該当 / Doctor of Philosophy (Engineering) / Kyoto University / DFAM

京都大学 / 0048 / 新制・課程博士 / 博士(工学) / 甲第20368号 / 工博第4305号 / 新制||工||1667(附属図書館) / 京都大学大学院工学研究科材料工学専攻 / (主査)教授 田中 功, 教授 乾 晴行, 教授 邑瀬 邦明 / 学位規則第4条第1項該当 / Doctor of Philosophy (Engineering) / Kyoto University / DFAM

京都大学 / 0048 / 新制・課程博士 / 博士(工学) / 甲第20398号 / 工博第4335号 / 新制||工||1672(附属図書館) / 京都大学大学院工学研究科分子工学専攻 / (主査)教授 関 修平, 教授 今堀 博, 准教授 伊藤 彰浩, 教授 白川 昌宏 / 学位規則第4条第1項該当 / Doctor of Philosophy (Engineering) / Kyoto University / DGAM

This thesis describes the use of 2H-azirines as reactivesubstrates in Lewis acid catalysed nucleophilic additions andin the Diels-Alder reaction.A number of carbon nucleophiles have been added to aseries of 2H-azirines in the presence and absence ofBF3·Et2O. 3-(2-Naphthyl)-2H-azirine has been used as amodel substrate in the enantioselective addition oforganolithium reagents to an 2H-azirine.A selection of Lewis acids has been screened for theirpossible use in the normal electron demand Diels-Alder reactionbetween 3-alkyl-, 3-aryl-, and 3- carboxyl-2H-azirines and avariety of dienes. Lewis acid activation was found to shortenreaction times and facilitate lower reaction temperatures.These cycloadditions proceeded with endo selectivity providinga single diastereoisomeric product.DFT calculations of Lewis acid activated 2H-azirineshave been carried out. Keywords:2H-azirines, Lewis acid activation, chiralligands, organolithium reagents, Diels-Alder reactions,DFT-calculations / <p>NR 20140805</p>