نتایج جستجو برای: dft متیل استیلن

تعداد نتایج: 25800  

2010
G. STEIDL

The discrete Fourier-cosine transform (cos-DFT), the discrete Fourier-sine transform (sin-DFT) and the discrete cosine transform (DCT) are closely related to the discrete Fourier transform (DFT) of real-valued sequences. This paper describes a general method for constructing fast algorithms for the cos-DFT, the sin-DFT and the DCT, which is based on polynomial arithmetic with Chebyshev polynomi...

اعلایی, مجتبی, خراسانی, الهام, دیلی‌نظر, نجمه, شهبازی, فرهاد,

The geometrical frustration in the magnetic pyrochlore oxides causes interesting properties at low temperatures in these materials. Therefore, we studied two challenging materials, Er2Ti2O7 and Tb2Ti2O7, using an ab intio method, based on Density Functional Theory (DFT). To take into account the f electrons coulomb interactions correctly, we employed DFT+U, a Hubbard method correction. As spin-...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه کردستان - دانشکده علوم پایه 1392

در این کار تحقیقی با استفاده از محاسبات نظری قابلیت کاربرد مولکول دی متیل دی سولفید (dmds) به عنوان یک مدل مناسب برای مولکول سیستین (cystine) که واحدهای در بردارنده پیوند دی سولفیدی گلیکو پروتئین 120 می باشند، مورد بررسی قرار گرفته است. امکان برهم کنش فلزهای واسطه (tm) گروه های 4 تا 6 جدول تناوبی در حالت اتمی با پیوند دی سولفیدی dmds با روش تابعی چگالی الکترون (dft) بررسی شده و خواص ساختاری و ا...

ژورنال: :پژوهش فیزیک ایران 0
سنور عبدالقادری s abdolghaderi carbon lab, department of physics, alzahra university, tehran, iranآزمایشگاه کربن، گروه فیزیک، دانشگاه الزهرا، تهران عزیزاله شفیع خانی a shafiekhani carbon lab, department of physics, alzahra university, tehran, iran. carbon lab, school of physics, institute for research in fundamental sciences, tehran, iranآزمایشگاه کربن، گروه فیزیک، دانشگاه الزهرا، تهران آزمایشگاه کربن، پژوهشکده فیزیک، پژوهشگاه دانش های بنیادی، تهران

نانوذرات نقره در بستری از لایه های کربن شبه الماسی به روش لایه­نشانی همزمان کندوپاش با امواج رادیویی و انباشت شیمیایی بخار، به کمک پلاسما و با استفاده از گاز عامل استیلن و هدف نقره ساخته شد. از آنجا که شرایط ساخت، همچون فشار اولیه و توان منبع امواج رادیویی ثابت نگه داشته شده بود، با تغییر زمان انباشت تغییر فازی در نوع دانه بندی، خواص الکتریکی و اپتیکی این لایه ها مشاهده شد که مورد تجزیه و تحلیل...

Journal: :Pediatric dentistry 2008
Felicia Trachtenberg Nancy Nairi Maserejian Mary Tavares Jennifer Ann Soncini Catherine Hayes

PURPOSE The purpose of this study was to assess the relationship between baseline caries experience and the restoration replacement rate in children. METHODS The 5-year New England Children's Amalgam Trial recruited 534 6- to 10-year-old children with 2 or more carious posterior teeth. The association between decoy and longevity of restorations was assessed. Restorations with no follow-up (N ...

Journal: :The Journal of chemical physics 2006
Baojing Zhou Yan Alexander Wang

A new implementation of density functional theory (DFT), namely orbital-corrected orbital-free (OO) DFT, has been developed. With at most two non-self-consistent iterations, OO-DFT accomplishes the accuracy comparable to fully self-consistent Kohn-Sham DFT as demonstrated by its application on the cubic-diamond Si and the face-centered-cubic Ag systems. Our work provides a new impetus to furthe...

2002
Lee Song Rudy Garcia Andrew Levy Donald L. Wheater

For many years, the semiconductor industry has been predicting the emergence of DFT tester market, enabled by increasing number of devices being designed with DFT methodologies such as scan and BIST. The search for low cost DFT tester solutions has resulted in the first ITRS roadmap for a DFT tester in 1999 and a major revision of this roadmap in 2001. While it is generally understood that a DF...

2004
J MICROPROCESSOR CORE Teresa L. McLaurin Frank Frederick Rich Slobodnik

The DFT and Test challenges faced, and the solutions applied, to the ARMl026EJ microprocessor core are described in this paper. New DFT techniques have been created to address the challenges of distributing a DFT core solution that will ultimately end up in many different environments. This core was instantiated into a test chip. The new DFT features were utilized successfully in the SOC.

2017
Ganesh Hegde R. Chris Bowen

Large scale Density Functional Theory (DFT) based electronic structure calculations are highly time consuming and scale poorly with system size. While semi-empirical approximations to DFT result in a reduction in computational time versus ab initio DFT, creating such approximations involves significant manual intervention and is highly inefficient for high-throughput electronic structure screen...

2003
Teresa L. McLaurin Frank Frederick Rich Slobodnik

The DFT and Test challenges faced, and the solutions applied, to the ARM1026EJ microprocessor core are described in this paper. New DFT techniques have been created to address the challenges of distributing a DFT core solution that will ultimately end up in many different environments. This core was instantiated into a test chip. The new DFT features were utilized successfully in the SoC.

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