scholarly journals Direct Comparison between Modeling and Experiment: an α-Fe Ion Implantation Study

2000 ◽  
Vol 650 ◽  
Author(s):  
Jaime Marian ◽  
Brian D. Wirth ◽  
J. Manuel Perlado ◽  
T. Diaz de la Rubia ◽  
Robin Schäublin ◽  
...  

ABSTRACTAdvances in computational capability and modeling techniques, as well as improvements in experimental characterization methods offer the possibility of directly comparing modeling and experiment investigations of irradiation effects in metals. As part of a collaboration among the Instituto de Fusión Nuclear (DENIM), Lawrence Livermore National Laboratory (LLNL) and CIEMAT, single and polycrystalline α-Fe samples have been irradiated with 150 keV Fe- ions to doses up to several dpa. The irradiated microstructure is to be examined with both transmission electron microscopy (TEM) and positron annihilation spectroscopy (PAS). Concurrently, we have modeled the damage accumulation in Fe under these irradiation conditions using a combination of molecular dynamics (MD) and kinetic Monte Carlo (KMC). We aim to make direct comparison between the simulation results and the experiments by simulating TEM images and estimating positron lifetimes for the predicted microstructures. While the identity of the matrix defect features cannot be determined from TEM observations alone, we propose that both large self-interstitial loops, trapped at impurities within the material, and small, spherical nanovoids form.

1996 ◽  
Vol 431 ◽  
Author(s):  
J. F. Poco ◽  
P. R. Coronado ◽  
R. W. Pekala ◽  
L. W. Hrubesh

AbstractSilica aerogels are a special class of porous materials in which both the pore size and interconnected particle size have nanometer dimensions. This structure imparts unique optical, thermal, acoustic, and electrical properties to these materials. Transmission electron microscopy and small angle x-ray scattering show that this nanostructure is sensitive to variations in processing conditions that influence crosslinking chemistry and growth processes prior to gelation. Recently, Lawrence Livermore National Laboratory (LLNL) has demonstrated that a Rapid Supercritical Extraction (RSCE) process can be used to prepare near-net shape silica aerogels in hours rather than days. Preliminary data from RSCE silica aerogels show that they have improved mechanical properties and slightly lower surface areas than their conventionally dried counterparts, while not compromising their optical and thermal performance.


Author(s):  
S. Mahajan ◽  
M. R. Pinnel ◽  
J. E. Bennett

The microstructural changes in an Fe-Co-V alloy (composition by wt.%: 2.97 V, 48.70 Co, 47.34 Fe and balance impurities, such as C, P and Ni) resulting from different heat treatments have been evaluated by optical metallography and transmission electron microscopy. Results indicate that, on air cooling or quenching into iced-brine from the high temperature single phase ϒ (fcc) field, vanadium can be retained in a supersaturated solid solution (α2) which has bcc structure. For the range of cooling rates employed, a portion of the material appears to undergo the γ-α2 transformation massively and the remainder martensitically. Figure 1 shows dislocation topology in a region that may have transformed martensitically. Dislocations are homogeneously distributed throughout the matrix, and there is no evidence for cell formation. The majority of the dislocations project along the projections of <111> vectors onto the (111) plane, implying that they are predominantly of screw character.


Author(s):  
Dr. G. Kaemof

A mixture of polycarbonate (PC) and styrene-acrylonitrile-copolymer (SAN) represents a very good example for the efficiency of electron microscopic investigations concerning the determination of optimum production procedures for high grade product properties.The following parameters have been varied:components of charge (PC : SAN 50 : 50, 60 : 40, 70 : 30), kind of compounding machine (single screw extruder, twin screw extruder, discontinuous kneader), mass-temperature (lowest and highest possible temperature).The transmission electron microscopic investigations (TEM) were carried out on ultra thin sections, the PC-phase of which was selectively etched by triethylamine.The phase transition (matrix to disperse phase) does not occur - as might be expected - at a PC to SAN ratio of 50 : 50, but at a ratio of 65 : 35. Our results show that the matrix is preferably formed by the components with the lower melting viscosity (in this special case SAN), even at concentrations of less than 50 %.


Author(s):  
O. Popoola ◽  
A.H. Heuer ◽  
P. Pirouz

The addition of fibres or particles (TiB2, SiC etc.) into TiAl intermetallic alloys could increase their toughness without compromising their good high temperature mechanical and chemical properties. This paper briefly discribes the microstructure developed by a TiAl/TiB2 composite material fabricated with the XD™ process and forged at 960°C.The specimens for transmission electron microscopy (TEM) were prepared in the usual way (i.e. diamond polishing and argon ion beam thinning) and examined on a JEOL 4000EX for microstucture and on a Philips 400T equipped with a SiLi detector for microanalyses.The matrix was predominantly γ (TiAl with L10 structure) and α2(TisAl with DO 19 structure) phases with various morphologies shown in figure 1.


Author(s):  
N. D. Evans ◽  
M. K. Kundmann

Post-column energy-filtered transmission electron microscopy (EFTEM) is inherently challenging as it requires the researcher to setup, align, and control both the microscope and the energy-filter. The software behind an EFTEM system is therefore critical to efficient, day-to-day application of this technique. This is particularly the case in a multiple-user environment such as at the Shared Research Equipment (SHaRE) User Facility at Oak Ridge National Laboratory. Here, visiting researchers, who may oe unfamiliar with the details of EFTEM, need to accomplish as much as possible in a relatively short period of time.We describe here our work in extending the base software of a commercially available EFTEM system in order to automate and streamline particular EFTEM tasks. The EFTEM system used is a Philips CM30 fitted with a Gatan Imaging Filter (GIF). The base software supplied with this system consists primarily of two Macintosh programs and a collection of add-ons (plug-ins) which provide instrument control, imaging, and data analysis facilities needed to perform EFTEM.


Author(s):  
Bálint Joó ◽  
Mike A. Clark

The QUDA library for optimized lattice quantum chromodynamics using GPUs, combined with a high-level application framework such as the Chroma software system, provides a powerful tool for computing quark propagators, a key step in current calculations of hadron spectroscopy, nuclear structure, and nuclear forces. In this contribution we discuss our experiences, including performance and strong scaling of the QUDA library and Chroma on the Edge Cluster at Lawrence Livermore National Laboratory and on various clusters at Jefferson Lab. We highlight some scientific successes and consider future directions for graphics processing units in lattice quantum chromodynamics calculations.


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