Relevant bibliographies by topics / DFT metody

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'DFT metody'

Author: Grafiati
Published: 4 June 2021
Last updated: 11 February 2022

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Journal articles on the topic "DFT metody"

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Ito, Izumi. "A New Pseudo-Spectral Method Using the Discrete Cosine Transform." Journal of Imaging 6, no. 4 (2020): 15. http://dx.doi.org/10.3390/jimaging6040015.

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The pseudo-spectral (PS) method on the basis of the Fourier transform is a numerical method for estimating derivatives. Generally, the discrete Fourier transform (DFT) is used when implementing the PS method. However, when the values on both sides of the sequences differ significantly, oscillatory approximations around both sides appear due to the periodicity resulting from the DFT. To address this problem, we propose a new PS method based on symmetric extension. We mathematically derive the proposed method using the discrete cosine transform (DCT) in the forward transform from the relation be
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Žák, Vojtěch. "Metody sběru dat využívané didaktikou fyziky v mezinárodním prostředí." Scientia in educatione 7, no. 2 (2016): 18–33. http://dx.doi.org/10.14712/18047106.349.

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Strategickým cílem výzkumu, jehož součástí je tato přehledová studie, je reï¬ektovat vývoj a současný stav didaktiky fyziky (physics education research, dále PER). Cílem této studie je podat přehled metod sběru dat, a podpořit tak diskuzi o metodách výzkumu využívaných v této oblasti. K řešení výzkumného problému byl použit kvalitativní přístup a za metodu sběru dat obsahová analýza výzkumných sdělení. Za zdroj těchto textů byla zvolena databáze SCOPUS, přičemž analýza se omezila na relevantní časopisecké články, které byly publikovány v letech 2010 až 2014 a které jsou psány anglicky. Celkem
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Vlčková, Miroslava, and Ludvík Friebel. "The Draft of Methodology for Assessment of Quality of Financial Accounting Data Using AHP Method." Český finanční a účetní časopis 2015, no. 2 (2015): 58–69. http://dx.doi.org/10.18267/j.cfuc.443.

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Aleksić, Anđelko, and Milenko Ljubiša Sekulić. "OPTIMIZACIJA PARAMETARA PROCESA REZANJA POMOĆU PRIRODOM INSPIRISANIH ALGORITAMA." Zbornik radova Fakulteta tehničkih nauka u Novom Sadu 34, no. 03 (2019): 411–14. http://dx.doi.org/10.24867/02am02aleksic.

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U radu je prikazan kratak osvrt na značaj modelovanja procesa obrade kao i osnovne metode modelovanja. Dat je teoretski deo o optimizaciji procesa obrade sa kratkim pregledom metoda optimizacije, kao što su: lokalno pretraživanje, algoritam simultanog žarenja i algoritam slepog miša. Detaljno je opisan mravlji algoritam - ACO i algoritam roja čestica - PSO. Prikazana su eksperimentalna istraživanja i matematički model na osnovu kog je vršena optimizacija pomoću ACO, PSO i GA (genetski algoritam). Takođe je izvršeno poređenje rezultata dobijenih optimizacijom pomoću prirodom-inspirisanih algori
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Jin, Quanyi. "Detection Methods of Interharmonics Parameters Based on DFT Filter Banks." International Journal of Innovative Research in Engineering & Management 3, no. 6 (2016): 471–73. http://dx.doi.org/10.21276/ijirem.2016.3.6.3.

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Simić, Aleksa. "LOKACIJA KVARA U DISTRIBUTIVNIM MREŽAMA." Zbornik radova Fakulteta tehničkih nauka u Novom Sadu 35, no. 03 (2020): 533–36. http://dx.doi.org/10.24867/07be23simic.

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Ovaj rad se bavi problematikom loka­cije kvara u distributivnim mrežama. Dat je pregled mogućih metoda za lokaciju kvara. Obrađene su impe­dantne metode kao i metode bazirane na merenju propada napona. Na kraju rada izvršeno je testiranje strujne i impedantne metode na primeru test ditributivne mreže.
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Oblaković, Mirjana, Valentina Sokolovska, and Bojana Dinić. "TRETMANI NEDOSTAJUĆIH PODATAKA." Primenjena psihologija 8, no. 3 (2015): 289. http://dx.doi.org/10.19090/pp.2015.3.289-309.

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U radu je dat kritički osvrt na najčešće korišćene tretmane nedostajućih podataka: tradicionalne, kao što su isključivanje nedostajućih podataka i jednostruke imputacije (zamena nedostajućih podataka srednjom vrednošću, imputacija pomoću regresije, slučajna imputacija), moderne, kao što su tretmani zasnovani na maksimalnoj verodostojnosti (npr. EM algoritam i FIML metod) i metodi višestruke imputacije. Ukazano je na prednosti i mane svakog od ovih tretmana i preporuke u vezi sa odabirom tretmana u odnosu na mehanizam nedostajanja podataka, tip i nivo merenja varijable, veličinu uzorka i slično
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Ariyanto, Yuri, Rizky Ardiansyah, and Bias Paris. "STEGANOGRAFI MENGGUNAKAN METODE DISCRETE FOURIER TRANSFORM (DFT)." Jurnal Informatika Polinema 4, no. 2 (2018): 87. http://dx.doi.org/10.33795/jip.v4i2.151.

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Seiring dengan kemajuan teknologi, serangan terjadi pada industri photography di mana banyak penyalahgunaan foto yang memiliki hak cipta tanpa seijin pemilik foto tersebut. Karena itulah dibuat sebuah aplikasi yang berfungsi untuk menyisipkan watermark dengan menggunakan metode DFT (Discrete Fourier Transform). Metode tersebut adalah metode matematika yang sering digunakan dalam bidang elektronika dan komputer. Metode ini secara khusus digunakan untuk menyelesaikan masalah yang berhubungan dengan frekuensi, sehingga metode ini dapat digunakan dalam bidang citra digital. Metode ini diterapkan u
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Karpiuk, Michał. "Design for manufacturing for sheet metal parts." Mechanik, no. 12 (December 2016): 1872–73. http://dx.doi.org/10.17814/mechanik.2016.12.530.

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Voňková, Hana, Ondřej Papajoanu, and Stanislav Bendl. "Aplikace metody ukotvujících vinět v pedagogickém výzkumu: přehled literatury a metodologická doporučení." Pedagogická orientace 26, no. 3 (2016): 537–59. http://dx.doi.org/10.5817/pedor2016-3-537.

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Dotazníková šetření se (sebe)hodnoticími položkami jsou v pedagogickém výzkumu využívána často. Respondenti však mohou na tyto položky odpovídat rozdílně, tj. volit jiné škálové kategorie, přestože jejich objektivní situace je stejná. Metoda ukotvujících vinět nabízí řešení tohoto problému. Odpovědi na tyto položky koriguje o rozdílné užívání škály a činí je tak porovnatelné. Tento příspěvek si klade dva cíle. Zaprvé poskytnout přehled do této chvíle publikovaných prací z oblastí pedagogického výzkumu, ve kterých byla tato metoda aplikována. Zadruhé shrnout metodologická doporučení týkající se
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Dissertations / Theses on the topic "DFT metody"

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Kulovaná, Eva. "Molekulové modelování - struktura a vlastnosti katalyzátorů na bázi karbenů." Master's thesis, Vysoké učení technické v Brně. Fakulta chemická, 2012. http://www.nusl.cz/ntk/nusl-216812.

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Pomocí molekulového modelování je možné předpovídat chování nových látek a napomáhá při jinak obtížné interpretaci experimentálních dat. Cílem práce byla predikce vybraných vlastností polymeračních katalyzátorů na bázi karbenů, predikce jejich struktur a spektrálních charakteristik a studie mechanismu polymerace za otevření kruhu laktidu. K ověření chování karbenů a jejich prekurzorů ve formě chloridů byly studovány vybrané charakteristiky molekuly. Byl proveden výpočet vybraných molekulových orbitalů a elektrostatických map. Následně pomocí počítačových programů byly získány teoretické vazebn
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Teplá, Romana. "Termochemické vlastnosti lineárních polynitraminů." Master's thesis, Vysoké učení technické v Brně. Fakulta chemická, 2011. http://www.nusl.cz/ntk/nusl-216763.

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The work is focused on the obtaining thermochemical properties of the linear polynitramines to predict their detonation properties. The basic thermochemical parameters are enthalpies ?f H° (298,g) in the gas and solid phase as well. The values of the enthalpy in the gas phase were obtained at a theoretical level by quantum chemical DFT calculations using both an isodesmic reactions and direct thermochemical G-Gaussian recipes. Conversion to the enthalpy in the solid phase ?f H° (298,s) was carried out using sublimation enthalpies ?s H° (298,g) obtained on the empirical level. The results were
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Kincl, Zdeněk. "Metody pro testování analogových obvodů." Doctoral thesis, Vysoké učení technické v Brně. Fakulta elektrotechniky a komunikačních technologií, 2013. http://www.nusl.cz/ntk/nusl-233583.

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Práce se zabývá metodami pro testování lineárních analogových obvodů v kmitočtové oblasti. Cílem je navrhnout efektivní metody pro automatické generování testovacího plánu. Snížením počtu měření a výpočetní náročnosti lze výrazně snížit náklady za testování. Práce se zabývá multifrekveční parametrickou poruchovou analýzou, která byla plně implementována do programu Matlab. Vhodnou volbou testovacích kmitočtů lze potlačit chyby měření a chyby způsobené výrobními tolerancemi obvodových prvků. Navržené metody pro optimální volbu kmitočtů byly statisticky ověřeny metodou MonteCarlo. Pro zvýšení př
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Tamošauskas, Aurimas. "DFM (Design for Manufacturability) metodo taikymas gaminiams iš plastiko gaminti." Master's thesis, Lithuanian Academic Libraries Network (LABT), 2008. http://vddb.laba.lt/obj/LT-eLABa-0001:E.02~2008~D_20080929_135929-29173.

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Šis ištirtas DFM metodas padeda atkreipti projektuotojų dėmesį į tas presuojamojo liejimo formavimo ypatybes, kurios yra linkusios didinti gaminio apdirbimo sąnaudas. Tyrime naudojame „šešių laipsnių koduojančia sistema“ tam, kad nustatyti galutines preliminarias ruošinio apdirbimo sąnaudas. Čia pabrėžiamos tos ypatybes, kurios žymiai didina kainą, kad projektuotojai galėtų sumažinti gaminamos detalės sudėtingumą. Naudojant pristatytą metodologiją, projektuotojai gali įvykdyti ruošinių apdirbimo sąnaudų įvertinimą ankstyvojoje konstravimo stadijoje. Tai gali būti įvikdyta pasitelkiant jų apyti
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Torkelsson, Olle, and Markus Dauksz. "DFMA : A Methodology Study and Method Development." Thesis, Högskolan i Skövde, Institutionen för ingenjörsvetenskap, 2014. http://urn.kb.se/resolve?urn=urn:nbn:se:his:diva-9562.

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Volvo Cars Corporation (VCC) is devoted to Lean and Six Sigma, and has lately considered an imple-mentation of Design for Manufacturing and Assembly (DFMA) with the purpose of improving their product design process and production. The goal for this project work is therefore to investigate if DFMA is a beneficial method for VCC to use, how DFMA can be used and suggest a DFMA method. A literature study is performed as a starting point to understand DFMA methods and its possibilities. Scientific articles, technical books and online sources is used during the study in order to gather in-formation
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Bartošková, Monika. "Termochemické vlastnosti vysokodusíkatých energetických materiálů." Doctoral thesis, Vysoké učení technické v Brně. Fakulta chemická, 2015. http://www.nusl.cz/ntk/nusl-234452.

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The main goal of the presented thesis is a theoretical study of heat of formation for high-nitrogen energetic materials. A modification of the classical approach to the isodesmic reactions is realized with the intent that molecules on both sides of the corresponding equation have not only the same number of atoms but also approximately the same size and skeletal similarity. This approach is designated as a method "Alternative Isodesmic Reaction (AIR method)". At its base, using the DFT B3LYP / cc-pVTZ and B3PW91 / cc-pVTZ, for the high nitrogen heterocycles, which are selected from the group o
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Miloš, Roman. "Metody shlukování textových dat." Master's thesis, Vysoké učení technické v Brně. Fakulta informačních technologií, 2011. http://www.nusl.cz/ntk/nusl-237060.

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Clustering of text data is one of tasks of text mining. It divides documents into the different categories that are based on their similarities. These categories help to easily search in the documents. This thesis describes the current methods that are used for the text document clustering. From these methods we chose Simultaneous keyword identification and clustering of text documents (SKWIC). It should achieve better results than the standard clustering algorithms such as k-means. There is designed and implemented an application for this algorithm. In the end, we compare SKWIC with a k-means
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Chudán, David. "Association rule mining as a support for OLAP." Doctoral thesis, Vysoká škola ekonomická v Praze, 2010. http://www.nusl.cz/ntk/nusl-201130.

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The aim of this work is to identify the possibilities of the complementary usage of two analytical methods of data analysis, OLAP analysis and data mining represented by GUHA association rule mining. The usage of these two methods in the context of proposed scenarios on one dataset presumes a synergistic effect, surpassing the knowledge acquired by these two methods independently. This is the main contribution of the work. Another contribution is the original use of GUHA association rules where the mining is performed on aggregated data. In their abilities, GUHA association rules outperform cl
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Rivalta, Arianna. "Il polimorfismo del paracetamolo: indagine mediante spettroscopia Raman e metodi computazionali." Master's thesis, Alma Mater Studiorum - Università di Bologna, 2016. http://amslaurea.unibo.it/11169/.

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Lo studio del polimorfismo gioca un ruolo fondamentale in diversi ambiti di ricerca, con applicazioni importanti nel campo dei semi conduttori organici e dei farmaci, dovuto al fatto che i diversi polimorfi di una sostanza presentano proprietà chimico-fisiche distinte. Questo lavoro di tesi si è focalizzato sullo studio del polimorfismo del paracetamolo, principio attivo (API) di diversi farmaci molto utilizzati, attraverso l’utilizzo della microscopia Raman. La microscopia Raman è una tecnica efficace per l’indagine del polimorfismo di materiali organici ed inorganici, in quanto permette di
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Svensson, Fredrik. "Computational Methods in Medicinal Chemistry : Mechanistic Investigations and Virtual Screening Development." Doctoral thesis, Uppsala universitet, Avdelningen för organisk farmaceutisk kemi, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-259443.

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Computational methods have become an integral part of drug development and can help bring new and better drugs to the market faster. The process of predicting the biological activity of large compound collections is known as virtual screening, and has been instrumental in the development of several drugs today in the market. Computational methods can also be used to elucidate the energies associated with chemical reactivity and predict how to improve a synthetic protocol. These two applications of computational medicinal chemistry is the focus of this thesis. In the first part of this work, qu
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Books on the topic "DFT metody"

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Antoch, Jaromír. Vybrané metody statistické analýzy dat. Academia, 1992.

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1949-, Militký Jiří, ed. Kompendium statistického zpracování dat: Metody a řešené úlohy včetně CD. Academia, 2002.

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Odhad informace z dat vágní povahy. Academia, 2012.

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Papadopoulos, George A. Fracture mechanics: Theexperimental method of caustics and the Det.-criterion of fracture. Springer-Verlag, 1993.

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Papadopoulos, George A. Fracture Mechanics: The Experimental Method of Caustics and the Det.-Criterion of Fracture. Springer London, 1993.

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Bernard, Roux, Nitsche Wolfgang, Schröder Wolfgang, et al., eds. Imaging Measurement Methods for Flow Analysis: Results of the DFG Priority Programme 1147 ”Imaging Measurement Methods for Flow Analysis” 2003-2009. Springer Berlin Heidelberg, 2009.

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Beati Possidentes: I︠u︡bileen sbornik, posveten na 60-godishninata na prof. dfn Bori︠a︡na Khristova. Nat︠s︡ionalna biblioteka "Sv. sv. Kiril i Metodiĭ", 2012.

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Tadokoro, Satoshi. Rescue robotics: DDT project on robots and systems for urban search and rescue. Springer, 2009.

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Tropea, Cameron. Nature-Inspired Fluid Mechanics: Results of the DFG Priority Programme 1207 ”Nature-inspired Fluid Mechanics” 2006-2012. Springer Berlin Heidelberg, 2012.

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Nielsen, Kim Allan. Dokumentation af det private konsum i nationalregnskabet: Kilder og metoder 1986 = Documentation of private consumption in the national accounts statistics : sources and methods 1986. Danmarks statistik, 1991.

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Book chapters on the topic "DFT metody"

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Raghu, Anunita, Meghana Gundlapalli, and K. Manikantan. "DFT-DCT Combination Based Novel Feature Extraction Method for Enhanced Iris Recognition." In Lecture Notes in Electrical Engineering. Springer India, 2016. http://dx.doi.org/10.1007/978-81-322-3592-7_1.

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Wang, Xin. "Impedance Measurement Method Based on DFT." In Lecture Notes in Computer Science. Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-642-15597-0_55.

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Kubota, Atsushi, Tomohiro Matsushita, and Naohisa Happo. "Parallelization of Atomic Image Reconstruction from X-ray Fluorescence Holograms with XcalableMP." In XcalableMP PGAS Programming Language. Springer Singapore, 2020. http://dx.doi.org/10.1007/978-981-15-7683-6_8.

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AbstractX-ray fluorescence holography is a three-dimensional middle range local structure analysis method, which can provide three-dimensional atomic images around specific elements within a radius of a few nanometers. Three-dimensional atomic images are reconstructed by applying discrete Fourier transform (DFT) to hologram data. Presently, it takes long time to process this DFT. In this study, the DFT program is parallelized by using a parallel programming language XcalableMP. The DFT process, whose input is 21 holograms data of 179 × 360 points and output is a three-dimensional atomic image of 1923 points, is executed on PC cluster which consists of 8 nodes of Intel Xeon X5660 processors and 96 cores in total and we confirmed that the parallelized DFT execution is 94 times faster than the sequential execution.
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Chen, Chun-Yen, Teng-Wen Chang, and Chi-Fu Hsiao. "Developing a Digital Interactive Fabrication Process in Co-existing Environment." In Proceedings of the 2020 DigitalFUTURES. Springer Singapore, 2021. http://dx.doi.org/10.1007/978-981-33-4400-6_3.

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Abstract In the stage of prototype practice, the maker mainly works by himself, but it needs to test and adapt to find correct fabrication method when maker didn’t have clearly fabrication description. Therefore, rapid prototyping is very important in the prototype practice of the maker. “Design- Fabrication-Assembly” (DFA)- an integration prototyping process which helps designers in creating kinetic skin by following a holistic process. However, DFA lacks a medium for communication between design, fabrication and assembly status. This paper proposes a solution called co-existing Fabrication System (CoFabs) by combining multiple sensory components and visualization feedbacks. We combine mixed reality (MR) and the concept of digital twin (DT)–a device that uses a virtual interface to control a physical mechanism for fabrication and assembly. By integrating virtual and physical, CoFab allows designers using different methods of observation to prototype more rigorously and interactively correct design decisions in real-time.
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Barbatti, Mario, and Rachel Crespo-Otero. "Surface Hopping Dynamics with DFT Excited States." In Density-Functional Methods for Excited States. Springer International Publishing, 2014. http://dx.doi.org/10.1007/128_2014_605.

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Jacquemin, Denis, and Carlo Adamo. "Computational Molecular Electronic Spectroscopy with TD-DFT." In Density-Functional Methods for Excited States. Springer International Publishing, 2015. http://dx.doi.org/10.1007/128_2015_638.

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Montero-Campillo, M. Merced, Al Mokhtar Lamsabhi, Otilia Mó, and Manuel Yáñez. "Alkyl mercury compounds: an assessment of DFT methods." In Highlights in Theoretical Chemistry. Springer Berlin Heidelberg, 2012. http://dx.doi.org/10.1007/978-3-642-41272-1_14.

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Nishimoto, Yoshio, and Stephan Irle. "The FMO-DFTB Method." In Recent Advances of the Fragment Molecular Orbital Method. Springer Singapore, 2021. http://dx.doi.org/10.1007/978-981-15-9235-5_23.

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Helgaker, Trygve, and Magdalena Pecul. "Spin-Spin Coupling Constants with HF and DFT Methods." In Calculation of NMR and EPR Parameters. Wiley-VCH Verlag GmbH & Co. KGaA, 2004. http://dx.doi.org/10.1002/3527601678.ch7.

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Goddard, William A. "Methods for GVB and Extended Wavefunctions and for DFT." In Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile. Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-18778-1_42.

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Conference papers on the topic "DFT metody"

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Medina, Lourdes A., Richard A. Wysk, and Gu¨l E. Okudan Kremer. "A Review of Design for X Methods for Medical Devices: The Introduction of a Design for FDA Approach." In ASME 2011 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. ASMEDC, 2011. http://dx.doi.org/10.1115/detc2011-48348.

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This paper focuses on the importance of the regulations, in particular the Food and Drug Administration (FDA), in the development of medical devices. The FDA regulates medical devices to assure that these products are safe and effective before their release into the Unites States market. We introduce the concept of Design for FDA (DfFDA) and describe DfFDA guidelines for medical device development. While many researchers describe the regulations in the form of reviews and models, the literature to date has not reported a DfFDA method. Here, DfFDA is proposed as a method to be used in parallel
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Ross, Donovan, Vincenzo Ferrero, and Bryony DuPont. "Exploring the Effectiveness of Providing Structured DfE Design Strategies During Conceptual Design." In ASME 2019 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/detc2019-98286.

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Abstract The fuzzy front end of engineering design can present a difficult challenge, and as such, recent engineering design research has focused on guiding and influencing the way a designer ideates. Early ideation can be especially difficult when attempting to integrate specific design objectives in product design, called Design for X (DfX). Some examples of DfX are Design for Manufacturing (DfM), Design for Assembly (DfA), Design for Function (DfF), and Design for Safety (DfS). This paper will present two experiments exploring the efficacy of a structured Design for the Environment (DfE) de
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Najafi, Hamidreza, Keith A. Woodbury, Ned R. Keltner, and James V. Beck. "Real Time Measurement of Heat Flux by Directional Flame Thermometers Using Filter Form IHCP Method." In ASME 2013 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/imece2013-64341.

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The real-time measurement of heat flux is an important challenge for several industrial applications including furnace control. For efficient operation of high-temperature process furnaces, accurate and stable temperature measurements are needed. Directional Flame Thermometers (DFTs) offer the ability to use both temperature and heat flux measurements for furnace control. Currently, analysis of dynamic temperature data from the DFTs to compute heat flux information must be performed off-line based on the gathered data by using a full-non-linear inverse heat conduction problem (IHCP) analysis.
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Rahagude, Nikhil, Maheshwar Chandrasekar, and Michael S. Hsiao. "DFT + DFD: An Integrated Method for Design for Testability and Diagnosability." In 2010 19th Asian Test Symposium (ATS). IEEE, 2010. http://dx.doi.org/10.1109/ats.2010.46.

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Zhou, Zhenxu, Chunling Dong, and Qin Zhang. "Dynamic Fault Tree Analysis Based on Dynamic Uncertain Causality Graph." In 2018 26th International Conference on Nuclear Engineering. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/icone26-81636.

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Dynamic Fault Tree (DFT) has drawn attention from comprehensive industrial systems in recent years. Many analytical approaches are developed to analyze DFT, such as Markov Chain based method, Inclusion-Exclusion Rule based method, and Sum-of-Disjoint-Product theory based method. Novel methods such as Bayesian Network and Petri Net are also used to solve DFT. However, Basic events are usually assumed unrepairable and are restricted to specific probabilistic distributions. And some methods may suffer from combination explosion. This paper applies Dynamic Uncertain Causality Graph (DUCG) to analy
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Rodrigues, Maurício Gustavo, Leonardo Talavera Campos, and Gabriel Soares Campos. "Benchmarking on H2S and SO2 molecules using the software ORCA." In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol202061.

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Choosing the best quantum method and basis function is sometimes difficult. It is necessary to take into account the computational costs in the same time of accuracy of the combination of quantum method and basis function. DFT methods and Pople basis set are the most common choices on molecular quantum calculation. This study makes a benchmark of DFT methods and different combinations of Pople basis sets on H2S and SO2 molecules. This choice aims decide this combination to explain better the formation on acid rain in environment, specially to high school Brazilian students. After the analysis
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Najafi, Hamidreza, and Keith Woodbury. "Developing an Inverse Heat Conduction Analysis Tool for Real Time Heat Flux Estimation in Directional Flame Thermometer Application." In ASME 2014 8th International Conference on Energy Sustainability collocated with the ASME 2014 12th International Conference on Fuel Cell Science, Engineering and Technology. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/es2014-6681.

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Accurate measurement of heat flux and temperature can significantly affect the energy usage in several industrial applications, including furnace operation, metal processing, fire safety tests and more. Directional Flame Thermometers, or DFTs, offer the ability to use both temperature and heat flux measurements for furnace control. Currently, analysis of dynamic temperature data from the DFTs to compute heat flux information must be performed off-line at the conclusion of data-gathering by using software tools such as IHCP1D. Availability of a near real-time algorithm for accurate reduction of
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He, Lijuan, and Yan Wang. "An Efficient Saddle Point Search Method Using Kriging Metamodels." In ASME 2015 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/detc2015-47386.

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Simulating phase transformation of materials at the atomistic scale requires the knowledge of saddle points on the potential energy surface (PES). In the existing first-principles saddle point search methods, the requirement of a large number of expensive evaluations of potential energy, e.g. using density functional theory (DFT), limits the application of such algorithms to large systems. Thus, it is meaningful to minimize the number of functional evaluations as DFT simulations during the search process. Furthermore, model-form uncertainty and numerical errors are inherent in DFT and search a
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Dagman, Andreas, and Rikard Söderberg. "Toward a Method for Improving Product Architecture Solutions by Integrating Designs for Assembly, Disassembly and Maintenance." In ASME 2012 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/imece2012-87466.

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New customer demands and increased legislation drive business-oriented companies into new business models focusing on the entire life cycle of the product. This forces the manufacturing companies into service-oriented solutions as a compliment to the original business areas. Takata [1] postulates that “the goal is no longer to produce products in an efficient way, but rather to provide the functions needed by society while minimizing material and energy consumption”. This new situation affects the product requirements as well as product development process (PD). When focusing on the entire pro
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Asghari, Jafar, Mohammad Pourgol Mohammad, and Farzin Salehpour Oskouyi. "Improving Dynamic Fault Tree Method for Complex System Reliability Analysis: Case Study of a Wind Turbine." In ASME 2015 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/imece2015-51307.

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Fault Tree Analysis (FTA) is one of the most developed techniques in reliability studies; however static analysis is not able to encompass the dynamic behavior of complex systems. To overcome this problem, Dynamic Fault Tree (DFT) analysis is suggested in recent researches. The main motivation of this study is a comparative study on differences between Static Fault Tree (SFT) and DFT models of a typical mechanical system (case study of a wind turbine). Also, this paper is aimed to interpretation of the results and sufficiency analysis of SFT to model this system. This study, first presents a S
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Reports on the topic "DFT metody"

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Weinlandt, Thomas, Dan Kaplan, and Venkataraman Swaminathan. A Method to Formulate the Unit Cell for Density Functional Theory (DFT) Calculations of the Electronic Band Structure of Heterostructures of Two-dimensional Nanosheets. Defense Technical Information Center, 2015. http://dx.doi.org/10.21236/ada623945.

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Dereviankin, Vitalii. Development of a Liquid Contacting Method for Investigating Photovoltaic Properties of PbS Quantum Dot Solids. Portland State University Library, 2000. http://dx.doi.org/10.15760/etd.6124.

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MACKEY, T. C. HANFORD DOUBLE SHELL TANK (DST) THERMAL & SEISMIC PROJECT BUCKLING EVALUATION METHODS & RESULTS FOR THE PRIMARY TANKS. Office of Scientific and Technical Information (OSTI), 2006. http://dx.doi.org/10.2172/878178.

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MACKEY TC, JOHNSON KI, DEIBLER JE, PILLI SP, RINKER MW, and KARRI NK. HANFORD DOUBLE SHELL TANK (DST) THERMAL & SEISMIC PROJECT BUCKLING EVALUATION METHODS & RESULTS FOR THE PRIMARY TANKS. Office of Scientific and Technical Information (OSTI), 2007. http://dx.doi.org/10.2172/946822.

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Lord, David, Ray Allen, and David Rudeen. DOE/DOT Crude Oil Characterization Research Study, Task 2 Test Report on Evaluating Crude Oil Sampling and Analysis Methods. Office of Scientific and Technical Information (OSTI), 2017. http://dx.doi.org/10.2172/1414422.

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Rosencrance, Alan B., and Ernst E. Brueggemann. Experimental Method for Determination of the Rate of Evaporation of 2,4, 6-Trinitrotoluene (TNT) and 2,4-Dinitrotoluene (2,4-DNT). Defense Technical Information Center, 1993. http://dx.doi.org/10.21236/ada267533.

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Lord, David, Ray Allen, David Rudeen, Chad Wocken, and Ted Aulich. DOE/DOT Crude Oil Characterization Research Study, Task 2 Test Report on Evaluating Crude Oil Sampling and Analysis Methods, Revision 1 - Winter Sampling. Office of Scientific and Technical Information (OSTI), 2018. http://dx.doi.org/10.2172/1458999.

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A STUDY OF COLLAPSE SUSCEPTIBILITY AND RESISTANCE OF LOADED CABLE-SUPPORTED PIPE STRUCTURE SUBJECT TO A SUDDEN BREAK OF CABLE MEMBER. The Hong Kong Institute of Steel Construction, 2021. http://dx.doi.org/10.18057/ijasc.2021.17.3.7.

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Cable-supported pipe system (CSPS) provides a suitable system of structure for meeting the stringent structural requirements of pipeline bridges. However, due to a composite action of cable with truss and pipe members, the sudden failure of its structural member may lead to undesired vibratory response and collapse. The occurrence of a sudden break of the CSPS structural member is characterized by spontaneous dynamics and internal force rearrangement. The present study aims to investigate parametrically the collapse susceptibility and resistance of scaled down CSPS model in the event of a sudd
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