scholarly journals Assessment of hardening due to non-coherent precipitates in tungsten-rhenium alloys at the atomic scale

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
G. Bonny ◽  
A. Bakaev ◽  
D. Terentyev
Keyword(s):  
Large Scale ◽  
Precipitation Hardening ◽  
Elevated Temperatures ◽  
Mechanical Tests ◽  
Nuclear Industry ◽  
Atomic Scale ◽  
Atomistic Simulations ◽  
Fusion Applications ◽  
Precipitate Shape ◽  
The Impact

Abstract In metallurgical applications, precipitation strengthening is of great technological importance to engineer materials with the required strength. While precipitation hardening is essential for many applications involving operation at elevated temperatures, its subsequent embrittlement can be a showstopper for the overall performance of a component. In the nuclear industry, irradiation-induced/enhanced precipitation and the resulting embrittlement often limit the lifetime of components. In fusion applications, tungsten (W) based alloys are known to harden and embrittle as a result of irradiation-assisted transmutation to rhenium (Re) and its subsequent precipitation into non-coherent precipitates. Hence, a fundamental understanding of the interaction of dislocations with non-coherent precipitates is of great interest. In the present work, the interaction of dislocations with non-coherent Re-rich σ, χ and hcp phase precipitates embedded in a bcc W matrix is assessed. Large-scale atomistic simulations are performed to clarify the interaction mechanisms and derive the obstacle strength of the precipitates in the quasi-static limit. Thereby the impact of precipitate shape, size, interspacing and composition is assessed. Based on those results, an analytical model to predict precipitation hardening of σ, χ and hcp phase particles in bcc W is proposed and compared to available experimental data from mechanical tests on irradiated materials.

scholarly journals Mechanical Performance Under Various Conditions of 3D Printed Polylactide Composites With Natural Fibers

2021 ◽  
Author(s):  
Karolina E. Mazur ◽  
Aleksandra Borucka ◽  
Paulina Kaczor ◽  
Szymon Gądek ◽  
Stanislaw Kuciel
Keyword(s):  
Elevated Temperatures ◽  
Mechanical Performance ◽  
Natural Fibers ◽  
Crystallization Rate ◽  
Mechanical Tests ◽  
Hydrothermal Degradation ◽  
3D Printed ◽  
The Impact ◽  
Different Levels ◽  
Additive Methods

Abstract In the study, polylactide-based (PLA) composites modified with natural particles (wood, bamboo, and cork) and with different levels of infilling (100%, 80%, and 60%) obtained by additive methods were tested. The effect of type fiber, infill level and crystallization rate on the mechanical properties were investigated by using tensile, flexural, and impact tests. The materials were subjected to mechanical tests carried out at 23 and 80 °C. Furthermore, hydrothermal degradation was performed, and its effect on the properties was analyzed. The addition of natural fillers and different level of infilling result in a similar level of reduction in the properties. Composites made of PLA are more sensitive to high temperature than to water. The decrease in Young's modulus of PLA at 80 °C was 90%, while after 28 days of hydrodegradation ~ 9%. The addition of fibers reduced this decrease at elevated temperatures. Moreover, the impact strength has been improved by 50% for composites with cork particles and for other lignocellulosic composites remained at the same level as for resin.

scholarly journals Mechanical, Thermal and Microstructural Characteristic of 3D Printed Polylactide Composites with Natural Fibers: Wood, Bamboo and Cork

2021 ◽  
Author(s):  
Karolina E. Mazur ◽  
Aleksandra Borucka ◽  
Paulina Kaczor ◽  
Szymon Gądek ◽  
Rafał Bogucki ◽  
...  
Keyword(s):  
Fused Deposition Modeling ◽  
Elevated Temperatures ◽  
Fiber Type ◽  
Mechanical Tests ◽  
Degree Of Crystallinity ◽  
Scanning Calorimetry ◽  
Fused Deposition ◽  
The Impact ◽  
Different Levels ◽  
Natural Fillers

AbstractIn the study, polylactide-based (PLA) composites modified with natural particles (wood, bamboo, and cork) and with different levels of infilling (100%, 80%, and 60%) obtained by fused deposition modeling were tested. The effect of fiber type, infill level and crystallization rate on the mechanical properties were investigated by using tensile, flexural, and impact tests. The materials were subjected to mechanical tests carried out at 23 and 80 °C. Differential scanning calorimetry were employed to analyze crystallization behavior of composite. Furthermore, hydrothermal degradation was performed, and its effect on the properties was analyzed. The addition of natural fillers and different levels of infilling result in a similar level of reduction in the properties. However, the addition of natural fillers resulted in a slightly lower drop than the lowered infilling rate − 40% and 50% for tensile strength, respectively. Moreover, it was found that, composites made of PLA are more sensitive to high temperatures than to water. The decrease in Young's modulus of PLA at 80 °C was 90%, while after 28 days of hydrodegradation ~ 9%. The addition of fibers reduced this decrease at elevated temperatures. Importantly, in the case of a brittle material such as PLA, the impact strength has been improved by 50% for composites with cork particles and other lignocellulosic composites remained at the same level as for resin. Generally, the thermal treatment of composites increased the degree of crystallinity of the materials, as reflected in the higher results of mechanical tests.

scholarly journals Direct atomistic simulation of brittle-to-ductile transition in silicon single crystals

2010 ◽  
Vol 1272 ◽  
Author(s):  
Dipanjan Sen ◽  
Alan Cohen ◽  
Aidan P. Thompson ◽  
Adri Van Duin ◽  
William A. Goddard III ◽  
...  
Keyword(s):  
Single Crystals ◽  
Atomistic Simulation ◽  
Large Scale ◽  
Elevated Temperatures ◽  
Experimental Studies ◽  
Crack Tip ◽  
Threshold Value ◽  
Atomic Scale ◽  
Brittle To Ductile Transition ◽  
First Time

AbstractSilicon is an important material not only for semiconductor applications, but also for the development of novel bioinspired and biomimicking materials and structures or drug delivery systems in the context of nanomedicine. For these applications, a thorough understanding of the fracture behavior of the material is critical. In this paper we address this issue by investigating a fundamental issue of the mechanical properties of silicon, its behavior under extreme mechanical loading. Earlier experimental work has shown that at low temperatures, silicon is a brittle material that fractures catastrophically like glass once the applied load exceeds a threshold value. At elevated temperatures, however, the behavior of silicon is ductile. This brittle-to-ductile transition (BDT) has been observed in many experimental studies of single crystals of silicon. However, the mechanisms that lead to this change in behavior remain questionable, and the atomic-scale phenomena are unknown. Here we report for the first time the direct atomistic simulation of the nucleation of dislocations from a crack tip in silicon only due to an increase of the temperature, using large-scale atomistic simulation with the first principles based ReaxFF force field. By raising the temperature in a computational experiment with otherwise identical boundary conditions, we show that the material response changes from brittle cracking to emission of a dislocation at the crack tip, representing evidence for a potential mechanisms of dislocation mediated ductility in silicon.

Mapping thermal resistance around vacancy defects in graphite

2013 ◽  
Vol 1543 ◽  
pp. 65-70 ◽  
Author(s):  
Laura de Sousa Oliveira ◽  
P. Alex Greaney
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
High Purity ◽  
In Silico ◽  
Large Scale ◽  
Nuclear Industry ◽  
Vacancy Defects ◽  
Dynamics Simulations ◽  
The Impact ◽  
Morphology Changes

ABSTRACTHigh purity bulk graphite is applicable in many capacities in the nuclear industry. The thermal conductivity of graphite has been found to vary as a function of how its morphology changes on the nanoscale, and the type and number of defects present. We compute thermal conductivities at the nanolevel using large scale classical molecular dynamics simulations and by employing the Green-Kubo method in a set of in silico experiments geared towards understanding the impact of defects in the thermal conductivity of graphite. We present the results obtained for systems with 1– 3 vacancies, and compile a summary of some of the methods applied and difficulties encountered.

scholarly journals Direct atomistic simulations of metastable state destruction in titanium (β-α martensitic transition) caused by external influences

2021 ◽  
Vol 250 ◽  
pp. 02011
Author(s):  
Pavel V. Chirkov ◽  
Roman M. Kichigin ◽  
Alexey V. Karavaev ◽  
Vladimir V. Dremov
Keyword(s):  
Large Scale ◽  
Elevated Temperatures ◽  
Pure Titanium ◽  
Atomistic Simulations ◽  
Martensitic Transition ◽  
Wave Loading ◽  
Phase Growth ◽  
Fine Grain ◽  
Α Phase ◽  
Grain Structures

Large-scale classical molecular dynamics (CMD) is utilized to simulate the β→α phase transition in pure titanium. Samples with a metastable polycrystalline bcc structure are prepared using crystallization from liquid state and subsequent recrystallization at elevated temperatures. Controlling the heating-cooling regimes we prepared two different kinds of samples with coarse and fine grain structures. The metastable bcc samples were relaxed at temperatures noticeably lower than the equilibrium β-α transition temperature. During the following cooling of the samples down to room temperature, transitions to the α phase start. With the prepared metastable bcc samples of two kinds we perform the CMD study of the β→α transition under plain shock wave loading and imposed shear deformations. From the CMD simulations we obtain information about the transformation barriers, mechanisms, and kinetics. Results of CMD simulations suggest that grain boundaries hamper the hcp phase growth.

scholarly journals ESRF X-rays at the service of industry

2014 ◽  
Vol 70 (a1) ◽  
pp. C591-C591
Author(s):  
Stéphanie Monaco-Malbet ◽  
Emilie Poudevigne ◽  
Michael Sztucki ◽  
Elodie Boller ◽  
Tamzin Lafford ◽  
...  
Keyword(s):  
Smart Materials ◽  
Large Scale ◽  
Business Models ◽  
Critical Role ◽  
Academic Research ◽  
Atomic Scale ◽  
X Rays ◽  
New Materials ◽  
Wide Range ◽  
The Impact

The creation and tailoring of new materials are at the heart of current industry challenges. New materials must meet ever more stringent requirements of performance, whilst fitting into the modern cradle-to-grave cycle of material production, use, and recycling. The properties and function expected of materials depend heavily upon their composition and their micro- or even nano-structure. Their "ultimate" characterisation is possible down to the atomic scale using the tools and techniques of large-scale facilities such as synchrotron X-rays. The European Synchrotron Radiation Facility (ESRF) provides the ability to visualise the atomic, nano-, and macro-structure of a huge range of complex materials, often under processing or end-use conditions and in real time. This capability lends itself to an equally wide range of industrial R&D problems which, in particular, have been adopted by the healthcare industry. Beyond drug discovery and development, the ESRF is also very active in providing analysis for micro- and nano-electronics, energy and smart materials, transport, chemistry and catalysis, engineering materials, and home and body care amongst others. In Europe and worldwide, funding agencies are requesting and demanding a stronger economic return from the significant public investments made in central facilities and this is resulting a gradual but firm pressure for stronger interactions with industry. In this context, new business models are springing to life, with more partnerships, more services, and nimble small start-ups bridging the gap between the oft "ivory tower" nature of research infrastructure and the commercially driven industry world. This presentation will present and discuss the increasingly critical role of such large-scale facilities in delivering ultimate materials characterization for innovative industrial and applied R&D, looking to both the current developments and future possibilities as well as review several examples of partnerships between research and industry and the impact these partnerships have on academic research.

Mechanistic Studies on Type 300 Stainless Steels Manufactured by Hot Isostatic Pressing: The Impact of Oxygen Involvement on Fracture Behaviour

2016 ◽  
Author(s):  
Adam J. Cooper ◽  
Jean Dhers ◽  
Andrew H. Sherry
Keyword(s):  
Fracture Toughness ◽  
Elevated Temperatures ◽  
Hot Isostatic Pressing ◽  
Mechanical Tests ◽  
Large Temperature ◽  
Machining Time ◽  
Isostatic Pressing ◽  
Manufacture Process ◽  
Toughness Testing ◽  
The Impact

With near-net shape technology becoming an increasingly desirable route toward component manufacture due to its ability to create components with increasingly complex geometries, minimizing the number of potential welded joints, as well as reducing machining time and associated costs, it is important to demonstrate that components fabricated via Hot Isostatic Pressing (HIP) are able to perform to similar standards as those set by equivalent forged materials. Hot Isostatically Pressed (HIP’d) materials are typically accredited with displaying enhanced yield strengths, ultimate tensile strengths, and ductility over their forged counterparts. In this paper we explore the effects of oxygen, which resides in the austenite matrix during the HIP manufacture process, on a material’s fracture toughness properties. We quantify the influence of different concentrations of oxygen on both the microstructural and mechanical properties of HIP’d 304L and 316L stainless steel, highlighting the benefit of reducing the oxygen as much as possible. Various mechanical tests have been performed on materials containing a range of oxygen contents (between 100 ppm and 200 ppm) and over a large temperature range, including J1C fracture toughness testing, instrumented Charpy, and tensile, and the mechanistic involvement of residual oxygen on the results is discussed. The effects of oxygen become more apparent at cryogenic temperatures, whereas the fracture behavior of HIP’d and forged variants of 304L and 316L at elevated temperatures appears to be comparable.

Atomic resolution characterisation of interface structures by Electron Energy Loss Spectroscopy

1993 ◽  
Vol 51 ◽  
pp. 576-577
Author(s):  
N. D. Browning ◽  
M. M. McGibbon ◽  
M. F. Chisholm ◽  
S. J. Pennycook
Keyword(s):  
High Resolution ◽  
Energy Loss ◽  
Electron Energy ◽  
Electron Energy Loss Spectroscopy ◽  
Imaging Technique ◽  
Atomic Scale ◽  
Atomic Resolution ◽  
Reference Image ◽  
The Impact ◽  
Electron Energy Loss

The recent development of the Z-contrast imaging technique for the VG HB501 UX dedicated STEM, has added a high-resolution imaging facility to a microscope used mainly for microanalysis. This imaging technique not only provides a high-resolution reference image, but as it can be performed simultaneously with electron energy loss spectroscopy (EELS), can be used to position the electron probe at the atomic scale. The spatial resolution of both the image and the energy loss spectrum can be identical, and in principle limited only by the 2.2 Å probe size of the microscope. There now exists, therefore, the possibility to perform chemical analysis of materials on the scale of single atomic columns or planes.In order to achieve atomic resolution energy loss spectroscopy, the range over which a fast electron can cause a particular excitation event, must be less than the interatomic spacing. This range is described classically by the impact parameter, b, which ranges from ~10 Å for the low loss region of the spectrum to <1Å for the core losses.

Impact of COVID-19 on Nuclear Medicine in Germany, Austria and Switzerland: An International Survey in April 2020

2020 ◽  
Vol 59 (04) ◽  
pp. 294-299 ◽  
Author(s):  
Lutz S. Freudenberg ◽  
Ulf Dittmer ◽  
Ken Herrmann
Keyword(s):  
Nuclear Medicine ◽  
Health Systems ◽  
Personal Protective Equipment ◽  
Large Scale ◽  
Diagnostic Procedures ◽  
Protective Equipment ◽  
Current Crisis ◽  
Web Based ◽  
Public Versus Private ◽  
The Impact

Abstract Introduction Preparations of health systems to accommodate large number of severely ill COVID-19 patients in March/April 2020 has a significant impact on nuclear medicine departments. Materials and Methods A web-based questionnaire was designed to differentiate the impact of the pandemic on inpatient and outpatient nuclear medicine operations and on public versus private health systems, respectively. Questions were addressing the following issues: impact on nuclear medicine diagnostics and therapy, use of recommendations, personal protective equipment, and organizational adaptations. The survey was available for 6 days and closed on April 20, 2020. Results 113 complete responses were recorded. Nearly all participants (97 %) report a decline of nuclear medicine diagnostic procedures. The mean reduction in the last three weeks for PET/CT, scintigraphies of bone, myocardium, lung thyroid, sentinel lymph-node are –14.4 %, –47.2 %, –47.5 %, –40.7 %, –58.4 %, and –25.2 % respectively. Furthermore, 76 % of the participants report a reduction in therapies especially for benign thyroid disease (-41.8 %) and radiosynoviorthesis (–53.8 %) while tumor therapies remained mainly stable. 48 % of the participants report a shortage of personal protective equipment. Conclusions Nuclear medicine services are notably reduced 3 weeks after the SARS-CoV-2 pandemic reached Germany, Austria and Switzerland on a large scale. We must be aware that the current crisis will also have a significant economic impact on the healthcare system. As the survey cannot adapt to daily dynamic changes in priorities, it serves as a first snapshot requiring follow-up studies and comparisons with other countries and regions.

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