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  1. Book ; Online: Structure-Dynamics Relationship in Al-Mg-Si Liquid Alloys

    Fahs, Alaa / Jarry, Philippe / Jakse, Noël

    2023  

    Abstract: Enhancing properties and performances of aluminium alloys by a control of their solidification is pivotal in automotive and aerospace industries. The fundamental role of the structure-diffusion relationship is investigated for Al-Mg-Si liquid alloys ... ...

    Abstract Enhancing properties and performances of aluminium alloys by a control of their solidification is pivotal in automotive and aerospace industries. The fundamental role of the structure-diffusion relationship is investigated for Al-Mg-Si liquid alloys taken as a prototype of Al-6xxx. For this purpose, first principles-based molecular dynamics simulations were performed for various Si and Mg content for Al-rich compositions, including the binary alloy counterparts. Results indicate that Mg and/or Si in alloys create a more compact ordering around Al than in pure Al, lowering diffusion. Mg promotes icosahedral short-range order, while Si displays a preference towards cubic local ordering, impacting diffusion based on their respective content. It suggests a mechanism whereby an increase in Mg content generally lowers the diffusion of each species, whereas an increase in Si content enhances their diffusion, providing insights for future alloy design.

    Comment: 5 figues, 18 pages
    Keywords Condensed Matter - Materials Science
    Subject code 669
    Publishing date 2023-06-29
    Publishing country us
    Document type Book ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  2. Article ; Online: Excess entropy scaling law: A potential energy landscape view.

    Saliou, Anthony / Jarry, Philippe / Jakse, Noel

    Physical review. E

    2021  Volume 104, Issue 4-1, Page(s) 44128

    Abstract: The relationship between excess entropy and diffusion is revisited by means of large-scale computer simulation combined to supervised learning approach to determine the excess entropy for the Lennard-Jones potential. Results reveal a strong correlation ... ...

    Abstract The relationship between excess entropy and diffusion is revisited by means of large-scale computer simulation combined to supervised learning approach to determine the excess entropy for the Lennard-Jones potential. Results reveal a strong correlation with the properties of the potential energy landscape (PEL). In particular the exponential law holding in the liquid is seen to be linked with the landscape-influenced regime of the PEL whereas the fluidlike power-law corresponds to the free diffusion regime.
    Language English
    Publishing date 2021-11-15
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2844562-4
    ISSN 2470-0053 ; 2470-0045
    ISSN (online) 2470-0053
    ISSN 2470-0045
    DOI 10.1103/PhysRevE.104.044128
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Machine learning interatomic potentials for aluminium: application to solidification phenomena.

    Jakse, Noel / Sandberg, Johannes / Granz, Leon F / Saliou, Anthony / Jarry, Philippe / Devijver, Emilie / Voigtmann, Thomas / Horbach, Jürgen / Meyer, Andreas

    Journal of physics. Condensed matter : an Institute of Physics journal

    2022  Volume 51, Issue 3

    Abstract: In studying solidification process by simulations on the atomic scale, the modeling of crystal nucleation or amorphization requires the construction of interatomic interactions that are able to reproduce the properties of both the solid and the liquid ... ...

    Abstract In studying solidification process by simulations on the atomic scale, the modeling of crystal nucleation or amorphization requires the construction of interatomic interactions that are able to reproduce the properties of both the solid and the liquid states. Taking into account rare nucleation events or structural relaxation under deep undercooling conditions requires much larger length scales and longer time scales than those achievable by
    Language English
    Publishing date 2022-11-15
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472968-4
    ISSN 1361-648X ; 0953-8984
    ISSN (online) 1361-648X
    ISSN 0953-8984
    DOI 10.1088/1361-648X/ac9d7d
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  4. Book ; Online: Interatomic machine learning potentials for aluminium

    Jakse, Noel / Sandberg, Johannes / Granz, Leon F. / Saliou, Anthony / Jarry, Philippe / Devijver, Emilie / Voigtmann, Thomas / Horbach, Jürgen / Meyer, Andreas

    application to solidification phenomena

    2022  

    Abstract: In studying solidification process by simulations on the atomic scale, the modeling of crystal nucleation or amorphisation requires the construction of interatomic interactions that are able to reproduce the properties of both the solid and the liquid ... ...

    Abstract In studying solidification process by simulations on the atomic scale, the modeling of crystal nucleation or amorphisation requires the construction of interatomic interactions that are able to reproduce the properties of both the solid and the liquid states. Taking into account rare nucleation events or structural relaxation under deep undercooling conditions requires much larger length scales and longer time scales than those achievable by \textit{ab initio} molecular dynamics (AIMD). This problem is addressed by means of classical MD simulations using a well established high dimensional neural network potential trained on a relevant set of configurations generated by AIMD. Our dataset contains various crystalline structures and liquid states at different pressures, including their time fluctuations in a wide range of temperatures considering only their energy labels. Applied to elemental aluminium, the resulting potential is shown to be efficient to reproduce the basic structural, dynamics and thermodynamic quantities in the liquid and undercooled states without the need to include neither explicitly the forces nor all kind of configurations in the training procedure. The early stage of crystallization is further investigated on a much larger scale with one million atoms, allowing us to unravel features of the homogeneous nucleation mechanisms in the fcc phase at ambient pressure as well as in the bcc phase at high pressure with unprecedented accuracy close to the \textit{ab initio} one. In both case, a single step nucleation process is observed.

    Comment: 40 pages and 10 figures + supplement file
    Keywords Condensed Matter - Materials Science ; Condensed Matter - Disordered Systems and Neural Networks ; Physics - Computational Physics
    Subject code 612
    Publishing date 2022-01-04
    Publishing country us
    Document type Book ; Online
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  5. Article: Health care quality and ATMS?

    Jarry, P David

    Managed care interface

    2004  Volume 17, Issue 3, Page(s) 39–41

    MeSH term(s) Decision Making ; Health Care Costs ; Health Services Accessibility ; Humans ; Monitoring, Physiologic ; Patient Satisfaction ; Quality Assurance, Health Care/methods ; Quality Assurance, Health Care/organization & administration ; Telephone ; United States
    Language English
    Publishing date 2004-03
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2086819-4
    ISSN 1096-5645
    ISSN 1096-5645
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

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  6. Article: Deception, perception, and P values.

    Jarry, P David

    Managed care interface

    2002  Volume 15, Issue 5, Page(s) 41

    MeSH term(s) Drug Evaluation ; Humans ; Probability ; Reference Values ; Reproducibility of Results ; Research Design/statistics & numerical data
    Language English
    Publishing date 2002-05
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2086819-4
    ISSN 1096-5645
    ISSN 1096-5645
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Numerical modelling of acoustic streaming during the ultrasonic melt treatment of direct-chill (DC) casting.

    Lebon, G S Bruno / Salloum-Abou-Jaoude, Georges / Eskin, Dmitry / Tzanakis, Iakovos / Pericleous, Koulis / Jarry, Philippe

    Ultrasonics sonochemistry

    2019  Volume 54, Page(s) 171–182

    Abstract: Acoustic streaming and its attendant effects in the sump of a direct-chill (DC) casting process are successfully predicted under ultrasonic treatment for the first time. The proposed numerical model couples acoustic cavitation, fluid flow, heat and ... ...

    Abstract Acoustic streaming and its attendant effects in the sump of a direct-chill (DC) casting process are successfully predicted under ultrasonic treatment for the first time. The proposed numerical model couples acoustic cavitation, fluid flow, heat and species transfer, and solidification to predict the flow pattern, acoustic pressure, and temperature fields in the sump. The model is numerically stable with time steps of the order of 0.01 s and therefore computationally attractive for optimization studies necessitating simulation times of the order of a minute. The sump profile is altered by acoustic streaming, with the slurry region depressed along the centreline of the billet by a strong central jet. The temperature gradient in the transition zone is increased, potentially interfering with grain refinement. The cooling rate in the sump is also altered, thereby modifying the dendrite arm spacing of the as-cast billet. The relative position of the sonotrode affects the sump profile, with the sump depth decreased by around 5 mm when the sonotrode is moved above the graphite ring level by 100 mm. The acoustic streaming jet penetrates into the slurry zone and, as a result, the growth direction of dendritic grains in the off-centre position is altered.
    Language English
    Publishing date 2019-02-02
    Publishing country Netherlands
    Document type Journal Article
    ZDB-ID 1208333-1
    ISSN 1873-2828 ; 1350-4177
    ISSN (online) 1873-2828
    ISSN 1350-4177
    DOI 10.1016/j.ultsonch.2019.02.002
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    Zs.A 4441: Show issues Location:
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  8. Book: Design and realizations of miniaturized fractal RF and microwave filters

    Jarry, Pierre / Beneat, Jacques

    2009  

    Title variant Miniaturized fractal RF and microwave filters
    Author's details Pierre Jarry; Jacques Beneat
    Keywords Microwave filters ; Miniature electronic equipment ; Radio filters
    Language English
    Size XIV, 194 S., graph. Darst., 25 cm
    Publisher Wiley
    Publishing place Hoboken, NJ
    Document type Book
    Note Literaturangaben
    ISBN 047048781X ; 9780470487815
    Database Library catalogue of the German National Library of Science and Technology (TIB), Hannover

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  9. Book: Advanced design techniques and realizations of microwave and RF filters

    Jarry, Pierre / Beneat, Jacques

    2008  

    Author's details Pierre Jarry; Jacques Beneat
    Keywords Microwave filters
    Language English
    Size XIX, 354 S, Ill., graph. Darst, 25 cm
    Publisher Wiley u.a.
    Publishing place Hoboken, NJ
    Document type Book
    ISBN 0470183101 ; 9780470183106
    Database Library catalogue of the German National Library of Science and Technology (TIB), Hannover

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  10. Article: The diffusion of a novel therapy into clinical practice: the case of sildenafil.

    Harrold, L R / Gurwitz, J H / Field, T S / Andrade, S E / Fish, L S / Jarry, P D / Yood, R A

    Archives of internal medicine

    2000  Volume 160, Issue 22, Page(s) 3401–3405

    Abstract: Background: Erectile dysfunction is a common condition, yet in the past most affected men did not seek medical treatment.: Objective: To examine how sildenafil (Viagra), a new medication for the treatment of erectile dysfunction, has been ... ...

    Abstract Background: Erectile dysfunction is a common condition, yet in the past most affected men did not seek medical treatment.
    Objective: To examine how sildenafil (Viagra), a new medication for the treatment of erectile dysfunction, has been incorporated into general medical practice.
    Subjects and methods: The study population consisted of all male members of a group-model Massachusetts health maintenance organization (HMO) whose first prescription for sildenafil was dispensed during the first 24 weeks of its availability through the HMO as a plan benefit (April 24, 1998, through October 8, 1998). Data collected on each member in the study population included age, specialty of the prescribing physician, initial dose, use of prior treatments for erectile dysfunction, receipt of medications known to predispose to impotence, filling of a second prescription for sildenafil, and concomitant medical conditions (including hypertension, ischemic heart disease, hyperlipidemia, diabetes mellitus, and history of radical prostatectomy). Cross tabulations and logistic regression models were constructed to evaluate the potential associations between filling a second prescription for sildenafil and other characteristics of sildenafil users.
    Results: We identified 899 members who filled a first-time sildenafil prescription in the 24-week period of interest. The majority of sildenafil prescriptions that were filled for the first time (85%) occurred in the first 12 weeks of its availability. Most sildenafil users (84%) were between 45 and 74 years of age (average age, 61 years; age range, 23 to 90 years), and approximately 40% had documentation of prior treatment for erectile dysfunction. Use was highest among those aged 55 to 64 years, with almost 5% of all male HMO members in that age group having received at least 1 sildenafil prescription. Our cohort of sildenafil users was significantly more likely to have hypertension (P<.01), hyperlipidemia (P<.01), and diabetes mellitus (P<.01) than persons who participated in a widely publicized clinical trial of the medication. Prescribing physicians were predominantly primary care physicians (78% were internists, and 11% were family practitioners). More than 60% of sildenafil users filled a second prescription within 3 months of the first prescription; in multivariate analyses, factors associated with filling a second prescription included younger age and prior treatment for erectile dysfunction.
    Conclusions: Sildenafil was rapidly adopted into the clinical practice of primary care physicians for the treatment of erectile dysfunction in the managed care setting. The patients for whom the drug was prescribed in the general practice setting differed across many medical characteristics from study subjects who participated in clinical trials of the drug. Arch Intern Med. 2000;160:3401-3405.
    MeSH term(s) Adult ; Aged ; Aged, 80 and over ; Drug Therapy/statistics & numerical data ; Erectile Dysfunction/drug therapy ; Health Maintenance Organizations ; Humans ; Male ; Massachusetts ; Middle Aged ; Phosphodiesterase Inhibitors/therapeutic use ; Piperazines/therapeutic use ; Practice Patterns, Physicians' ; Purines ; Sildenafil Citrate ; Sulfones
    Chemical Substances Phosphodiesterase Inhibitors ; Piperazines ; Purines ; Sulfones ; Sildenafil Citrate (BW9B0ZE037)
    Language English
    Publishing date 2000-12
    Publishing country United States
    Document type Journal Article
    ZDB-ID 211575-x
    ISSN 1538-3679 ; 0003-9926 ; 0888-2479 ; 0730-188X
    ISSN (online) 1538-3679
    ISSN 0003-9926 ; 0888-2479 ; 0730-188X
    DOI 10.1001/archinte.160.22.3401
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    Ua VI Zs.119: Show issues Location:
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