interface_master: Python package building CSL and approximate CSL interfaces of any two lattices -- an effective tool for interface engineers

Crystalline interfaces are of highly importance in many practical applications. To conduct effective simulation and analysis for coincident site lattice (CSL) interfaces, effective programmes are of high demand in building their CSL bicrystal models to apply periodic boundary condition. The existing reported programmes capable suffer from problems including limitation of available lattice, poor capability for making heterogeneous interfaces and requirement of none-intuitive input parameters which cannot be directly obtained from an experimental observation result for an interface. This work presents a python programme to construct bicrystal model of interfaces consisting of any two lattices, including tilt, twist, mixed, and hetero interfaces and surfaces, which will support in effective simulation and analysis of crystalline interfaces.Comment: 13pages, 3figures, 3tables. https://github.com/nmdl-mizo/interface_master/tree/maste

Monivammapotilaan kivunhoito

Tämän opinnäytetyön tarkoituksena oli kartoittaa monivammapotilaan kivunhoitoa ennen sairaalaan tuloa, sairaalassa ja kotona systemaattista kirjallisuuskatsausta soveltaen. Tavoitteena on edistää monivammapotilaan kivunhoitoa. Opinnäytetyöhön valikoitui analysoitavaksi 38 (=n) julkaisua. Monivammapotilaan kivunhoito vaatii moniammatillista osaamista ja yhteistyötä. Kivunhoidon oleellisena osana on kivun arviointi. Kipua voidaan arvioida erilaisin mittarein, kuten sanallinen asteikko (VRS), numeroasteikko (NRS) ja visuaalianalogiasteikko (VAS). Potilaan ollessa tajuton, kivunarviointi muuttuu haasteellisemmaksi, sillä silloin mittareita ei voida käyttää. Monivammapotilaan kipua hoidetaan pääsääntöisesti lääkkeillä. Keskeisimpiä lääkkeitä ovat tulehduskipulääkkeet, parasetamoli ja opioidit. Lääkkeettömiä kivunhoitomuotoja kuten asentohoito, fysikaaliset hoitomuodot, hengitysharjoitukset, musiikin kuuntelu, rentoutumis- ja mielikuvaharjoitukset, käytetään myös, mutta ne ovat tehokkaampia yhdistettynä lääkkeelliseen kivunhoitoon. Lääkehoito koostuu monen lääkeryhmän yhdistelmistä eli multimodaalisesta kivunhoidosta. Puudutteet ovat keskeinen osa monivammapotilaan kivunhoitoa, sillä ne vähentävät huomattavasti opioidien käyttöä. Kivunhoito on tasapainoilua potilaan kivuttomuuden ja kivunhoidon haittavaikutuksien välillä. Potilaan kivunhoito jatkuu koko hoidon ajan, myös kotiutumisen jälkeen. Kivunhoito on potilaan oikeus eikä ole olemassa mitään pätevää syytä jättää kipua hoitamatta. Monivammapotilaat ovat todella kivuliaita, joten kivun hoidon tutkiminen ja kehittäminen on tärkeää. Tehokkaalla kivunhoidolla voidaan ehkäistä kivun kroonistumista.The purpose of this thesis is to improve multi-trauma patients pain management before coming to a hospital, in hospital and at home by using a systematic literature review. The aim is to improve multi-trauma patient’s pain management. There was 38(=n) publications chosen for this thesis. The pain management of a multi-trauma patient requires multi-professional expertise and cooperation. An essential part of pain management is assessment of pain. The pain can be assessed with different kind of rating scales for example verbal rating scale (VRS), numeric rating scale (NRS) and visual analog scale (VAS). When patient is being unconscious assessment of pain becomes challenging so the rating scales cannot be used. The pain of a multi-trauma patient is mainly managed with medicine. The most common medicines are inflammatory drugs, paracetamol and opioids. Drug-free pain management formats such as position management, physical therapies, breathing exercises, listening to music, relaxing and imagination exercises are used but they are more effective combined with medicinal pain management. Medication consist of the combination of different drug groups called multimodal pain management. Regional anesthetics are a key part of the pain management of a multi-trauma patient because regional anesthetics reduce remarkably the use of opioids. Pain management is balancing between painless and side effects pain management. The pain management of the patient goes through the whole care also after discharging from hospital. Pain management is the patients right and there is no competent reason to not treat the pain. Multi-trauma patients are in a high amount of pain so the study and development of pain management is really important. With efficient pain management you can anticipate chronical pain

Vibrational Effects in X-ray Absorption Spectra of Two-Dimensional Layered Materials

With the examples of the C K-edge in graphite and the B K-edge in hexagonal boron nitride, we demonstrate the impact of vibrational coupling and lattice distortions on the X-ray absorption near-edge structure (XANES) in two-dimensional layered materials. Theoretical XANES spectra are obtained by solving the Bethe–Salpeter equation of many-body perturbation theory, including excitonic effects through the correlated motion of the core hole and excited electron. We show that accounting for zero-point motion is important for the interpretation and understanding of the measured X-ray absorption fine structure in both materials, in particular for describing the σ*-peak structure

ELNES ト XANES オ モチイタ セラミックスチュウ ノ キョクショ ゲンシ ハイレツ ト デンシ ジョウタイ ノ カイセキ ニ カンスル ケンキュウ

京都大学0048新制・課程博士博士(工学)甲第9532号工博第2118号新制||工||1230(附属図書館)UT51-2002-G290京都大学大学院工学研究科材料工学専攻(主査)教授 足立 裕彦, 教授 平尾 一之, 教授 河合 潤学位規則第4条第1項該当Doctor of EngineeringKyoto UniversityDA

Ab initio charge transfer multiplet calculations on the L_{2,3} XANES and ELNES of 3d transition metal oxides

The L_{2,3} x-ray absorption near-edge structures (XANES) and electron energy loss near-edge structures (ELNES) of 3d transition metal (TM) oxides are systematically calculated by the ab initio charge transfer multiplet (CTM) method using fully relativistic molecular spinors on the basis of density-functional theory. The electronic excitation from molecular spinors mainly composed of O-2p to those of TM-3d, that is, charge transfer, is included by considering additional electronic configurations in the configuration interactions. The effects of the covalency and charge transfer on the TM-L_{2,3} XANES are investigated in detail. The power of the ab initio CTM method to quantitatively reproduce the spectra is demonstrated. Meanwhile, limitations of the application of the method are discussed