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  1. Computational Thermodynamics of Materials Zi-Kui Liu and Yi Wang

    SciTech Connect

    Devanathan, Ram

    2017-02-01

    This authoritative volume introduces the reader to computational thermodynamics and the use of this approach to the design of material properties by tailoring the chemical composition. The text covers applications of this approach, introduces the relevant computational codes, and offers exercises at the end of each chapter. The book has nine chapters and two appendices that provide background material on computer codes. Chapter 1 covers the first and second laws of thermodynamics, introduces the spinodal as the limit of stability, and presents the Gibbs-Duhem equation. Chapter 2 focuses on the Gibbs energy function. Starting with a homogeneous system with amore » single phase, the authors proceed to phases with variable compositions, and polymer blends. The discussion includes the contributions of external electric and magnetic fields to the Gibbs energy. Chapter 3 deals with phase equilibria in heterogeneous systems, the Gibbs phase rule, and phase diagrams. Chapter 4 briefly covers experimental measurements of thermodynamic properties used as input for thermodynamic modeling by Calculation of Phase Diagrams (CALPHAD). Chapter 5 discusses the use of density functional theory to obtain thermochemical data and fill gaps where experimental data is missing. The reader is introduced to the Vienna Ab Initio Simulation Package (VASP) for density functional theory and the YPHON code for phonon calculations. Chapter 6 introduces the modeling of Gibbs energy of phases with the CALPHAD method. Chapter 7 deals with chemical reactions and the Ellingham diagram for metal-oxide systems and presents the calculation of the maximum reaction rate from equilibrium thermodynamics. Chapter 8 is devoted to electrochemical reactions and Pourbaix diagrams with application examples. Chapter 9 concludes this volume with the application of a model of multiple microstates to Ce and Fe3Pt. CALPHAD modeling is briefly discussed in the context of genomics of materials. The book introduces basic thermodynamic concepts clearly and directs readers to appropriate references for advanced concepts and details of software implementation. The list of references is quite comprehensive. The authors make liberal use of diagrams to illustrate key concepts. The two Appendices at the end discuss software requirements and the file structure, and present templates for special quasi-random structures. There is also a link to download pre-compiled binary files of the YPHON code for Linux or Microsoft Windows systems. The exercises at the end of the chapters assume that the reader has access to VASP, which is not freeware. Readers without access to this code can work on a limited number of exercises. However, results from other first principles codes can be organized in the YPHON format as explained in the Appendix. This book will serve as an excellent reference on computational thermodynamics and the exercises provided at the end of each chapter make it valuable as a graduate level textbook. Reviewer: Ram Devanathan is Acting Director of Earth Systems Science Division, Pacific Northwest National Laboratory, USA.« less

  2. Computational Thermodynamics of Materials Zi-Kui Liu and Yi Wang

    SciTech Connect

    Devanathan, Ram

    2017-02-01

    This authoritative volume introduces the reader to computational thermodynamics and the use of this approach to the design of material properties by tailoring the chemical composition. The text covers applications of this approach, introduces the relevant computational codes, and offers exercises at the end of each chapter. The book has nine chapters and two appendices that provide background material on computer codes. Chapter 1 covers the first and second laws of thermodynamics, introduces the spinodal as the limit of stability, and presents the Gibbs-Duhem equation. Chapter 2 focuses on the Gibbs energy function. Starting with a homogeneous system with a single phase, the authors proceed to phases with variable compositions, and polymer blends. The discussion includes the contributions of external electric and magnetic fields to the Gibbs energy. Chapter 3 deals with phase equilibria in heterogeneous systems, the Gibbs phase rule, and phase diagrams. Chapter 4 briefly covers experimental measurements of thermodynamic properties used as input for thermodynamic modeling by Calculation of Phase Diagrams (CALPHAD). Chapter 5 discusses the use of density functional theory to obtain thermochemical data and fill gaps where experimental data is missing. The reader is introduced to the Vienna Ab Initio Simulation Package (VASP) for density functional theory and the YPHON code for phonon calculations. Chapter 6 introduces the modeling of Gibbs energy of phases with the CALPHAD method. Chapter 7 deals with chemical reactions and the Ellingham diagram for metal-oxide systems and presents the calculation of the maximum reaction rate from equilibrium thermodynamics. Chapter 8 is devoted to electrochemical reactions and Pourbaix diagrams with application examples. Chapter 9 concludes this volume with the application of a model of multiple microstates to Ce and Fe3Pt. CALPHAD modeling is briefly discussed in the context of genomics of materials. The book introduces basic thermodynamic concepts clearly and directs readers to appropriate references for advanced concepts and details of software implementation. The list of references is quite comprehensive. The authors make liberal use of diagrams to illustrate key concepts. The two Appendices at the end discuss software requirements and the file structure, and present templates for special quasi-random structures. There is also a link to download pre-compiled binary files of the YPHON code for Linux or Microsoft Windows systems. The exercises at the end of the chapters assume that the reader has access to VASP, which is not freeware. Readers without access to this code can work on a limited number of exercises. However, results from other first principles codes can be organized in the YPHON format as explained in the Appendix. This book will serve as an excellent reference on computational thermodynamics and the exercises provided at the end of each chapter make it valuable as a graduate level textbook. Reviewer: Ram Devanathan is Acting Director of Earth Systems Science Division, Pacific Northwest National Laboratory, USA.

  3. A Survey of the Application of Multimedia in the Process of Teaching and Learning in KUiTTHO, Malaysia

    ERIC Educational Resources Information Center

    Kamaruddin, Nafisah Kamariah Md; Hamid, Mohd Zaidi Bin Abdul

    2005-01-01

    Scientific research shows that the process of remembering done in the human brain is faster when people receive many emphasizes in various forms for a short period. The concept of interactivity in multimedia helps the human brain to improve the process of learning. In addition, different approaches of multimedia make lessons very entertaining…

  4. Heterogeneous SuperConcurrent Parallelism (HeSCP)

    DTIC Science & Technology

    1993-03-01

    81-75-753-5383, Fax: +81-75-753-5379, E-mail: jssp93@kuis.kyoto- u.ac.jp. Second Int’l Symposium on High Performance Distributed Computing, ( HPDC - 2...Conference on Distributed Computing Sys- tems. July 21-23, 1993 (*): Second Int’l Symposium on High Performance Distributed Computing, HPDC -2. Note: A

  5. NATO/CCMS Pilot Study Evaluation of Demonstrated and ...

    EPA Pesticide Factsheets

    ... "! n'nKiliHli.in Svc lln: "SiU"vlfini^ii-r^.i?i"'-ii.rhl KuiKxIi^iiii'ii P'ri'i-l,^:-. wvl|i-.|| ;IT II -:IK Ill1:l|!|i llli'lu'-l! l| tf lur '.'1 M'|XA MI,-||II'I,| H ... |-|..HAOu<- |i.| l||l \\\\Vf ...

  6. Synthetic Vaccines for the Control of Arenavirus Infections

    DTIC Science & Technology

    1992-03-31

    compartments Chase 40 60 of the cell (Matlin and Simons, 1983, Saraste and Kuis- TUN Pulse 100, 0 manen , 1984; Saraste et al., 1986; Balch and Keller, Chase 100...D-glucose and tunicamycin on glycosylation. sulfation and mation of vesicular stomatitis virus (San Juan strain) becomes tem- assembly of influenza

  7. 75 FR 69160 - Quarterly Publication of Individuals, Who Have Chosen To Expatriate, as Required by Section 6039G

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-10

    ... Beattie Daniel Becker Kaja K. Bednarz Andrew James Beirnes Denise Bell William Anthony Bergandi Marco Lee... Kington Kin Bong Hui Kwok-Kit Hui Man Yan Mark Hui Ng Suk Ha Hung Janet Yi Kui Hung San-Hsiung Husain Syed...

  8. DETECTION OF K-RAS AND P53 MUTATIONS IN SPUTUM SAMPLES OF LUNG CANCER PATIENTS USING LASER CAPTURE MICRODISSECTION MICROSCOPE AND MUTATION ANALYSIS

    EPA Science Inventory

    Detection of K-ras and p53 Mutations in Sputum Samples of Lung Cancer Patients Using Laser Capture Microdissection Microscope and Mutation Analysis

    Phouthone Keohavong a,*, Wei-Min Gao a, Kui-Cheng Zheng a, Hussam Mady b, Qing Lan c, Mona Melhem b, and Judy Mumford d.
    <...

  9. Dependence-Based Anomaly Detection Methodologies

    DTIC Science & Technology

    2012-08-16

    legitimate and malicious Android apps. 3. Traffic Dependency Analysis for Network Security In this work, we investigated an approach to enforce... network security, system security Danfeng (Daphne) Yao Virginia Polytechnic Institute & State University Office of Sponsored Programs Virginia Polytechnic...on Applied Cryptography and Network Security (ACNS). 2011/06/07 00:00:00, . : , 2012/08/16 20:06:32 4 Kui Xu , Danfeng (Daphne) Yao, Qiang Ma

  10. Wood Anatomy of the Neotropical Sapotaceae. XXXIII. Englerella.

    DTIC Science & Technology

    1982-10-01

    paper on Englerella is the thirty-third in a series describing the anatomy of the secondary xylem of the neotropical Sapotaceae. The earlier papers...AD-Ai22 933 WOOD ANATOMY OF THE NEOTROPICAL SAPOTACERE XXXIII i/i ENGLERELLR(U) FOREST PRODUCTS LAB MADISON NI B F KUI(RCHKR OCT 82 FSRP-FPL-42i...UNCLASSIFIED F/G 26 NI EfLmhIli 17 ME-I 1.25 14 1126 MICROCOPY RESOLUTION TEST CHART NATIONAL BUREAU OF STANDARDS-1963-A WOOD ANATOMY OF THE NEOTROPICAL

  11. Sense, symbol, and soma: illness experience in the soundscape of everyday life.

    PubMed

    Chuengsatiansup, K

    1999-09-01

    This article explores the lived experience of women suffering from an illness prevalent in the Kui communities of Northeast Thailand. The symptoms, ranging from loss of appetite to chronic fatigue, were typically triggered by being exposed to certain kinds of sounds, such as motorcycles, quarrelling neighbors, or carousing drunkards. I examine the illness experience as it was constituted in the soundscape of everyday life to reveal how the meaning-endowed sounds aggravated the feeling of being vulnerable and defenseless. The felt immediacies created by the audio-somatic experience were reconceptualized within the indigenous somato-psychic framework as a form of illness. By examining the life histories and illness experiences of individuals who were rendered vulnerable and defenseless, the study reveals how symbols that carry political significance, the body as a cultural form of memory, and the senses combine to create a specific mode of being-in-the-world. Sense, symbols, and somatic processes combined to create an illness experience out of the felt immediacies of the Kui's socio-political predicament of marginality.

  12. Maritime Patrol Aircraft Engine Study P&WA Derivative Engines. Volume II. Performance Data.

    DTIC Science & Technology

    1979-04-30

    1026. 989. 1070. 10.290 �. PAKT POWER L0000. 0.30 427. 380 . 106b. 10.230 40A$. MAX CL1IB 10000. 0.40 11165. 11952. 1214. 11.447 4018. MAX CRUISE...10000. 0.85 12395. 0.361 -592. 87.- 1.0.9 2234. PART POdR 1,000. 0.85 10252. 0.371 -742. b0.1 9,7 Z134. PART P UWER 10000. 0.85 8293. 0.385 -836...101.6 13.7 2334. MAA k,.KUI1E 15000. 0.75 10&93. 0..369 -168. 95.0 12.2 2k34.. PART PUWER 15n00. 0.75 8629. n. 380 -B=L. 87.4. 10.9 2134. PAKr PuwE

  13. [Anaphylactic reaction to Ficus benjamina (weeping fig)].

    PubMed

    Werfel, S; Ruëff, F; Przybilla, B

    2001-10-01

    Ficus benjamina (weeping fig) is a widespread indoor ornamental plant. Allergens of Ficus benjamina are a well-known cause of IgE-mediated respiratory diseases. We treated a 32-year-old female who for 10 years had suffered from perennial rhinoconjunctivitis. When dusting her 2 meter high Ficus benjamina, she developed an anaphylactic reaction which resolved without sequelae. Skin prick testing revealed a strong immediate type reaction to a Ficus extract, the serum concentration of specific IgE-antibodies to Ficus was > 100 kU/I (CAP class 6). In view of these strong test reactions and the conclusive history, no challenge tests with Ficus allergens were performed. After removal of the Ficus plants which she had owned for 17 years and after thorough cleaning of her dwelling, the patient's symptoms of perennial rhinoconjunctivitis stopped. The patient also was sensitized to, but not allergic to natural rubber latex, which occurs frequently in Ficus allergy and probably is due to cross reactivity to allergens from both sources. As Ficus benjamina is an important source of indoor allergens, it should not be used in dwellings or work places.

  14. Chemical profiling approach to evaluate the influence of traditional and simplified decoction methods on the holistic quality of Da-Huang-Xiao-Shi decoction using high-performance liquid chromatography coupled with diode-array detection and time-of-flight mass spectrometry.

    PubMed

    Yan, Xuemei; Zhang, Qianying; Feng, Fang

    2016-04-01

    Da-Huang-Xiao-Shi decoction, consisting of Rheum officinale Baill, Mirabilitum, Phellodendron amurense Rupr. and Gardenia jasminoides Ellis, is a traditional Chinese medicine used for the treatment of jaundice. As described in "Jin Kui Yao Lue", a traditional multistep decoction of Da-Huang-Xiao-Shi decoction was required while simplified one-step decoction was used in recent repsorts. To investigate the chemical difference between the decoctions obtained by the traditional and simplified preparations, a sensitive and reliable approach of high-performance liquid chromatography coupled with diode-array detection and electrospray ionization time-of-flight mass spectrometry was established. As a result, a total of 105 compounds were detected and identified. Analysis of the chromatogram profiles of the two decoctions showed that many compounds in the decoction of simplified preparation had changed obviously compared with those in traditional preparation. The changes of constituents would be bound to cause the differences in the therapeutic effects of the two decoctions. The present study demonstrated that certain preparation methods significantly affect the holistic quality of traditional Chinese medicines and the use of a suitable preparation method is crucial for these medicines to produce special clinical curative effect. This research results elucidated the scientific basis of traditional preparation methods in Chinese medicines. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Geography has more influence than language on maternal genetic structure of various northeastern Thai ethnicities.

    PubMed

    Kutanan, Wibhu; Ghirotto, Silvia; Bertorelle, Giorgio; Srithawong, Suparat; Srithongdaeng, Kanokpohn; Pontham, Nattapon; Kangwanpong, Daoroong

    2014-09-01

    Several literatures have shown the influence of geographic and linguistic factors in shaping genetic variation patterns, but their relative impact, if any, in the very heterogeneous northeastern region of Thailand has not yet been studied. This area, called Isan, is geographically structured in two wide basins, the Sakon Nakorn Basin and the Korat Basin, serving today as home to diverse ethnicities encompassing two different linguistic families, that is, the Austro-Asiatic; Suay (Kui), Mon, Chaobon (Nyahkur), So and Khmer, and the Tai-Kadai; Saek, Nyaw, Phu Tai, Kaleung and Lao Isan. In this study, we evaluated the relative role of geographic distance and barriers as well as linguistic differences as possible causes affecting the maternal genetic distances among northeastern Thai ethnicities. A 596-bp segment of the hypervariable region I mitochondrial DNA was utilized to elucidate the genetic structure and biological affinity from 433 individuals. Different statistical analyses agreed in suggesting that most ethnic groups in the Sakon Nakorn Basin are closely related. Mantel test revealed that genetic distances were highly associated to geographic (r = 0.445, P<0.01) but not to linguistic (r = 0.001, P>0.01) distances. Three evolutionary models were compared by Approximate Bayesian Computation. The posterior probability of the scenario, which assumed an initial population divergence possibly related to reduced gene flow among basins, was equal or higher than 0.87. All analyses exhibited concordant results supporting that geography was the most relevant factor in determining the maternal genetic structure of northeastern Thai populations.

  16. [Effect of Ju-Pi-Tang on Cisplatin-induced Emetic Model in Minks].

    PubMed

    Liu, Ran-ran; Yang, Zhi-hong; Yang, Yu-ling; Liu, Zhan-tao; Yue, Wang

    2015-02-01

    To study the antiemetic effect of Ju-Pi-Tang from Jin Kui Yao Lue on cisplatin-induced emetic model in minks, and to observe the immunoexpression of peripheral and central c-fos and substance P. The minks were randomly divided into blank control group, Ju-Pi-Tang blank control group, model group, ondansetron group, aprepitant group, Ju-Pi-Tang (in high-, mid-, and low-dose) groups. Every group was administered with the antiemetic agent or distilled water on 24 h before cisplatin injection. The antiemetic effect of drugs was investigated in the emetic model of minks induced by cisplatin in 72 h observation. Immunohistochemistry was used to compare the differences of c-fos and substance P expression in the area postrema of brain and distal ileum tissues. During observation period,compared with model group,the frequency cisplatin induced retching and vomiting was significantly reduced by Ju-Pi-Tang in high- and mid-dose groups, during the 0-24 h acute period, the number of retching of Ju-Pi-Tang in high-dose group was decreased more than aprepitant group, during the 24-72 h delayed period, the number of both retching and vomiting was decreased more than ondansetron group, after 72 h of cisplatin administration, compared with model group, the grey levels of c-fos and substance P expression in distal ileum and brain tissues of Ju-Pi-Tang groups were higher significantly. Ju-Pi-Tang has a good effect against cisplatin-induced emesis in minks.

  17. Specific weather biotrop factors in the mountain resorts of North Caucasus

    NASA Astrophysics Data System (ADS)

    Efimenko, Natalia; Chalaya, Elena; Povolotckaia, Nina; Senik, Irina; Slepykh, Victor

    2015-04-01

    Key aspects of weather therapeutic action in the mountain resorts of the Northern Caucasus (RNC) are formed under the combined influence of global, regional and local atmospheric processes, picturesque landscape, vegetation which create specificity and attraction of the weather regime for the interests of resort rehabilitation, recreation and tourism practically during the whole year. They include high purity of surface atmosphere (background level of aerosols for the countryside, the transparency of the atmosphere 0.780 -0.890); natural hypo barium and hypoxia (5-10%); increased natural aeroionization (N+=400-1000 ion/cm3; N- = 600-1200 ion/cm3; KUI = 0.8 -1.0); the softness of temperature rate (± 600 W/m ); regime of solar radiation favourable for heliotherapy. Pathogenic effects in the mountains can occur both in front atmospheric processes and in conditions of relatively favorable weather. For example, in a stable anti-cyclonic air mass with the sunny weather, foehn effects can happen that are accompanied by excessively low air humidity (lower than 20-30%), the air temperature rises in the afternoon (in winter until 15- 20°C, in summer - up to 25-35°C). The situation can be worsened by ozone intrusion (O3) with the increase of its concentration by 20 ppb or more, temperature stratification change, formation of pollution accumulation conditions in the gorges and valleys where the resort towns are located. We can observe: the increase in the concentration of aerosol pollution from 1.78 to 4 and even up to 8-10 particles/cm (particle diameter is 500-1000 nm); the rise in mass concentration of submicron aerosol up to 75 mkg/m3 and the gas pollution (CO, COx, O3) of the surface atmosphere. Against this backdrop the effects of rapid changes in the chemical composition of natural ions due to the formation of positive nitrogen ions (often with a prevalence of positive over negative air ions) can be sometimes developed. In such situations people suffering from

  18. Environmental problems of resort towns of Caucasian Mineralnye Vody region during the anthropocene era

    NASA Astrophysics Data System (ADS)

    Efimenko, Natalia; Chalaya, Elena; Povolotckaia, Nina; Artamonova, Mariya; Senik, Irina; Slepykh, Viktor

    2017-04-01

    There has been studied the influence of ecological factors on rehabilitation properties of the atmospheric surface layer (ASL) in the mountain resorts of the Caucasian Mineralnye Vody Region (CMVR) according to the research methods [1] accepted in balneology. Taking into consideration the data of the long-term complex multiple-factor bioclimatic monitoring (PRIC FMBA, IFA RAS, SNP), it has been revealed: - the increase in frequency of inter-day variability of the integral index of weather pathogenicity (IIWP) in the range of 0,35KUI >2,0). These signs are noted on the background of the continuing period of climate warming. At the present time the rehabilitation potential of ASL in the resorts of Caucasian Mineralnye Vody region is estimated within 2,08-2,68 points (max =3,0 points). Mountainous areas are more sensitive to anthropogenic impacts, changes of radiation mode and circulation modes. It was revealed that

  19. Air quality in the mountain climate-balneological resort Kislovodsk

    NASA Astrophysics Data System (ADS)

    Chalaya, Elena; Efimenko, Natalia; Povolotckaia, Nina; Senik, Irina; Slepykh, Victor

    2016-04-01

    There has been studied the quality of the surface atmosphere in the mountain climate-balneological resort Kislovodsk (MCBRK) to treat by means of climate and landscape (TCL) of the patients suffering from bronchial asthma (PBA) [1]. 60 children (31 boys and 29 girls at the age of 9-11 years) were examined in the course of 34 days of the resort treatment in MCBRK, PBA (ICD-10 G45,0) in a remission stage. There have been used the data of the long-term bioclimatic monitoring (BCM) that is carried out by PRIC FMBA, aerosol monitoring of IFA RAS, landscape monitoring of SNP in Kislovodsk Resort Park (KRP) as well as the data of medical monitoring, daily testing of meteopathic reactions (MPR), indicators dynamics of bronchial patency, cardiac rhythm, neurovascular reactivity, psychoemotional status of patients. TCL was carried out in the form of walks under the canopy of Betula pendula Roth., Salix f. pendula, acer platanoides globosum, Aesculus hippocastanum L., Phellodendron amurense, Tilia caucasica in KRP daily lasting from 1 till 2 hours. The results of a complex research showed that at TCL in KRP the favourable heat balance had 92% warm relations (TB<600BT/m2 - comfort and weak over comfort); the increased natural aero ionization (∑(N+)+(N-)=1350-1850 ion/cm3 at KUI<0,88); bacteriostatics natural trees 13-58%; the level of the weighed aerosol particles (the size of 500-20000 nanometers) from 1,2 to 3,6 particles/cm3 - (from pure to poorly polluted atmosphere); only 86% of the patients had cases with the increased and high transparency of the atmosphere (0,756-0,849). Under the influence of the course TCL 53(88%) patients had improved indicators of bronchial patency, 58(97%) had signs of increasing qualities of regulatory processes in the organism (vegetative regulation for 14%; neurohumoral regulation for 12%; psychoemotional regulation for 16%; the ability of the organism to adaptation for 17%); 38(63%) patients had vegetative index of Kerde that reached normal