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At least 1,747 records · Page 97

A New Route to Quantum-Scale Structures through a Novel Enhanced Germanium Diffusion Mechanism

This project sought to develop a fundamental understanding of the mechanisms underlying a newly observed enhanced germanium (Ge) diffusion process in silicon germanium (SiGe) semiconductor nanostructures during thermal oxidation. Using a combination of oxidationdiffusion experiments, high resolution imaging, and theoretical modeling, a model for the enhanced Ge diffusion mechanism was proposed. Additionally, a nanofabrication approach utilizing this enhanced Ge diffusion mechanism was shown to be applicable to arbitrary 3D shapes, leading to the fabrication of stacked silicon quantum dots embedded in SiGe nanopillars. A new wet etch-based method for preparing 3D nanostructures for highresolution imaging free of obscuring material or damage was also developed. These results enable a new method for the controlled and scalable fabrication of on-chip silicon nanostructures with sub-10 nm dimensions needed for next generation microelectronics, including low energy electronics, quantum computing, sensors, and integrated photonics.

36 MATERIALS SCIENCE↗

Numerical modeling of pulsed laser-material interaction and of laser plume dynamics

We have developed two-dimensional Arbitrary Lagrangian Eulerian (ALE) code which is used to study the physical processes, the plasma absorption, the crater profile, and the temperature distribution on metallic target and below the surface. The ALE method overcomes problems with Lagrangian moving mesh distortion by mesh smoothing and conservative quantities remapping from Lagrangian mesh to smoothed one. A new second order accurate diffusion solver has been implemented for the thermal conduction and radiation transport on distorted mesh. The results of numerical simulation of pulsed laser ablation are presented. The influences of different processes, such as time evolution of the surface temperature, interspecies interactions (elastic collisions, recombination-dissociation reaction), interaction with an ambient gas are examined. The study presents particular interest for the analysis of experimental results obtained during pulsed laser ablation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Laser irradiation of carbon nanotube films: Effects and heat dissipation probed by Raman spectroscopy

We investigate the thermal properties of thin films formed by single- and multi-walled carbon nanotubes submitted to laser irradiation using Raman scattering as a probe of both the tube morphology and the local temperature. The nanotubes were submitted to heating/cooling cycles attaining high laser intensities ({approx}1.4 MW/cm{sup 2}) under vacuum and in the presence of an atmosphere, with and without oxygen. We investigate the heat diffusion of the irradiated nanotubes to their surroundings and the effect of laser annealing on their properties. The presence of oxygen during laser irradiation gives rise to an irreversible increase of the Raman efficiency of the carbon nanotubes and to a remarkable increase of the thermal conductivity of multi-walled films. The second effect can be applied to design thermal conductive channels in devices based on carbon nanotube films using laser beams.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Diffusive shock acceleration - Comparison of a unified shock model to bow shock observations

A comparison is made between recent AMPTE/IRM observations of diffuse ions detected upstream of the earth's bow shock when the interplanetary magnetic field was nearly parallel to the solar wind direction and a known collisionless quasi-parallel shock model. These observations, which provide the proton spectrum for all of velocity space, give a direct measure of the shock acceleration efficiency and show how thermal solar winds are injected into the diffusive shock acceleration mechanism. The model accurately describes the proton spectrum; moreover, it predicts the shock structure, the complete particle spectrum, the relative velocity distributions of different ion species in the down stream region, and the enhancement of heavy ions over protons relative to the unshocked solar wind.

Ellison, Donald C.↗

Particle transport inferences from density sawteeth

Sawtooth oscillations in tokamaks are defined by their effect on electron temperature: a rapid flattening of the core profile followed by an outward heat pulse and a slow core recovery caused by central heating. Recent high-resolution, multi-chord interferometer measurements on JTEXT extend these studies to particle transport. Sawteeth only partially flatten the core density profile, but enhanced particle diffusion on the time scale of the thermal crash occurs over much of the profile, relevant for impurities. Recovery between crashes implies an inward pinch velocity extending to the center.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Predicting mesoscale spectral thermal conductivity using advanced deterministic phonon transport techniques

We present a review, demonstration and simulation of phonon transport for the purposes of predicting materials performance at the mesoscale. We focus primarily on the development and implementation of a unified methodology to enable predictive heat transport. We report on the current state of the art as it pertains to deterministic phonon transport methodologies, discussing various topics concerning phonons. In application, we focus on the Self-Adjoint Angular Flux (SAAF) formulation of the Boltzmann transport equation for phonons, and develop the spatial, angular, and material property discretization required to accurately simulate the predictive physics of heat transport in dielectrics. We discuss thermal interfacial resistance and present our formulation of the diffuse mismatch model for simulating phonon interactions at internal boundaries. We have recently developed a deterministic, spectral phonon transport method for predicting effective thermal conductivity ($\kappa_{\textrm{eff}}$), using Bose-Einstein source terms coupled through an average material temperature. In this method, we introduce a closure term to the phonon transport system which acts as a redistribution function for the total energy of the system, and serves as a guide for the amount of non-equilibrium behavior occurring in the system. This method predicts thermal conductivity and equilibrium temperature distributions in homogeneous and heterogeneous materials using data generated by ab initio density functional theory methods. We employ polarization, density of states and full dispersion spectra to resolve thermal conductivity with numerous angular and spatial discretizations. Our implementation utilizes a Richardson iteration on a modified version of the phonon scattering source. The equations associated with this method are solved via a modification of traditional source iteration. We compare the performance of source iteration applied to an existing uncoupled, traditional SAAF method to our new method and comment on the iterative performance of each. We observe ballistic and diffusive phonon scattering as acoustic thickness of the domain changes, and are able to make comparisons between the accuracy and efficiency of both methods.

36 MATERIALS SCIENCE↗

Barrier Design to Prevent Metal-Induced Degradation and Improve Thermal Stability in Perovskite Solar Cells

Metal-contact-induced degradation and escape of volatile species from perovskite solar cells necessitate excellent diffusion barrier layers. We show that metal-induced degradation limits thermal stability in several perovskite chemistries with Au, Cu, and Ag gridlines even when the metal is separated from the perovskite by a layer of indium tin oxide (ITO). Channels in a sputtered ITO layer that align with perovskite grain boundaries are pathways for metal and halide diffusion into or out of the perovskite. Planarizing the perovskite morphology with a spin-cast organic charge-transport layer results in a subsequently deposited ITO layer that is uniform and impermeable. We show that it is critical to seal the edges of the active layers to prevent escape of volatile species. We demonstrate 1000 h thermal stability at 85 °C in CH 3 NH 3 PbI 3 solar cells with complete-coverage silver contacts. Lastly, our barrier layer design enables long-term thermal stability of perovskite solar cells, a critical step to commercialization.

14 SOLAR ENERGY↗

Nanoporous, Metal Carbide, Surface Diffusion Membranes for High Temperature Hydrogen Separations

Colorado School of Mines (CSM) developed high temperature, hydrogen permeable membranes that contain no platinum group metals with the goal of separating hydrogen from gas mixtures representative of gasification of carbon feedstocks such as coal or biomass in order to meet DOE NETL 2015 hydrogen membrane performance targets. We employed a dual synthesis strategy centered on transition metal carbides. In the first approach, novel, high temperature, surface diffusion membranes based on nanoporous Mo 2 C were fabricated on ceramic supports. These were produced in a two step process that consisted of molybdenum oxide deposition followed by thermal carburization. Our best Mo 2 C surface diffusion membrane achieved a pure hydrogen flux of 367 SCFH/ft 2 at a feed pressure of only 20 psig. The highest H 2 /N 2 selectivity obtained with this approach was 4.9. A transport model using “dusty gas” theory was derived to describe the hydrogen transport in the Mo 2 C coated, surface diffusion membranes. The second class of membranes developed were dense metal foils of BCC metals such as vanadium coated with thin (< 60 nm) Mo 2 C catalyst layers. We have fabricated a Mo 2 C/V composite membrane that in pure gas testing delivered a H 2 flux of 238 SCFH/ft 2 at 600 °C and 100 psig, with no detectable He permeance. This exceeds the 2010 DOE Target flux. This flux is 2.8 times that of pure Pd at the same membrane thickness and test conditions and over 79% of the 2015 flux target. In mixed gas testing we achieved a permeate purity of ≥99.99%, satisfying the permeate purity milestone, but the hydrogen permeance was low, ~0.2 SCFH/ft 2 .psi. However, during testing of a Mo 2 C coated Pd alloy membrane with DOE 1 feed gas mixture a hydrogen permeance of >2 SCFH/ft 2 .psi was obtained which was stable during the entire test, meeting the permeance associated with the 2010 DOE target flux. Lastly, the Mo 2 C/V composite membranes were shown to be stable for at least 168 hours = one week, including cycling at high temperature and alternating He/H 2 exposure.

08 HYDROGEN↗

Investigating the Linear Thermal Expansion of Additively Manufactured Multi-Material Joining between Invar and Steel

This work investigated the linear thermal expansion properties of a multi-material specimen fabricated with Invar M93 and A36 steel. A sequence of tests was performed to investigate the viability of additively manufactured Invar M93 for lowering the coefficient of thermal expansion (CTE) in multi-material part tooling. Invar beads were additively manufactured on a steel base plate using a fiber laser system, and samples were taken from the steel, Invar, and the interface between the two materials. The CTE of the samples was measured between 40 °C and 150 °C using a thermomechanical analyzer, and the elemental composition was studied with energy dispersive X-ray spectroscopy. The CTE of samples taken from the steel and the interface remained comparable to that of A36 steel; however, deviations between the thermal expansion values were prevalent due to element diffusion in and around the heat-affected zone. The CTEs measured from the Invar bead were lower than those from the other sections with the largest and smallest thermal expansion values being 10.40 μm/m-K and 2.09 μm/m-K. In each of the sections, the largest CTE was measured from samples taken from the end of the weld beads. An additional test was performed to measure the aggregate expansion of multi-material tools. Invar beads were welded on an A36 steel plate. The invar was machined, and the sample was heated in an oven from 40 °C and 160 °C. Strain gauges were placed on the surface of the part and were used to analyze how the combined thermal expansions of the invar and steel would affect the thermal expansion on the surface of a tool. There were small deviations between the expansion values measured by gauges placed in different orientations, and the elongation of the sample was greatest along the dimension containing a larger percentage of steel. On average, the expansion of the machined Invar surface was 42% less than the expansion of the steel surface. The results of this work demonstrate that additively manufactured Invar can be utilized to decrease the CTE for multi-material part tooling.

36 MATERIALS SCIENCE↗

Flight Computer Processing Avionics for Space Station Microgravity Experiments: A Risk Assessment of Commercial Off-the-Shelf Utilization

NASA/Marshall Space Flight Center (MSFC) is continually looking for ways to reduce the costs and schedule and minimize the technical risks during the development of microgravity programs. One of the more prominent ways to minimize the cost and schedule is to use off-the-shelf hardware (OTS). However, the use of OTS often increases the risk. This paper addresses relevant factors considered during the selection and utilization of commercial off-the-shelf (COTS) flight computer processing equipment for the control of space station microgravity experiments. The paper will also discuss how to minimize the technical risks when using COTS processing hardware. Two microgravity experiments for which the COTS processing equipment is being evaluated for are the Equiaxed Dendritic Solidification Experiment (EDSE) and the Self-diffusion in Liquid Elements (SDLE) experiment. Since MSFC is the lead center for Microgravity research, EDSE and SDLE processor selection will be closely watched by other experiments that are being designed to meet payload carrier requirements. This includes the payload carriers planned for the International Space Station (ISS). The purpose of EDSE is to continue to investigate microstructural evolution of, and thermal interactions between multiple dendrites growing under diffusion controlled conditions. The purpose of SDLE is to determine accurate self-diffusivity data as a function of temperature for liquid elements selected as representative of class-like structures. In 1999 MSFC initiated a Center Director's Discretionary Fund (CDDF) effort to investigate and determine the optimal commercial data bus architecture that could lead to faster, better, and lower cost data acquisition systems for the control of microgravity experiments. As part of this effort various commercial data acquisition systems were acquired and evaluated. This included equipment with various form factors, (3U, 6U, others) and equipment that utilized various bus structures, (VME, PC104, STD bus). This evaluation of hardware was performed in conjunction with a trade study that considered over twenty (20) different factors relevant to the selection of an optimum design approach. These factors included; safety, sizing and timing, radiation hardness and single event upset, power consumption, heat dissipation, size and volume, expected service life, maintainability, heritage, operating systems, requirements for software reuse, availability of compatible interface boards, relative cost, schedule, reliability, EMI/EMC factors, "hot swap" capability, standards for conduction cooling, I/O capabilities, unique carrier requirements and operating system considerations. The approach to evaluate Safety as part of this study included a review of the Preliminary Hazard Analysis (PHA) for each of the experiment designs and a determination of how each hazard could be addressed and eliminated when different processors were selected. This included evaluating various design approaches and trade-offs between fault tolerant designs and fail-safe designs in accordance with NSTS 1700.7B. This will include the results of radiation testing where available. Various operating systems, such as VxWorks, Linux, QNX, and Embedded NT are evaluated and the advantages and disadvantages of their utilization are also addressed. Design implementation strategies for the various operating systems are considered and discussed. This paper presents the results and recommendations from this trade study. Preliminary conclusions from this study are that safety concerns from lack or radiation testing on COTS equipment can be addressed by additional testing and design considerations, the PC104 bus provided adequate I/O for the SDLE and EDSE microgravity experiments, and PC104 bus components offered significant advantages over VME and cPCI for weight and space reductions.

Estes, Howard↗

A diffusion-limited reaction model for self-propagating Al/Pt multilayers with quench limits

A diffusion-limited reaction model was calibrated for Al/Pt multilayers ignited on oxidized silicon, sapphire, and tungsten substrates, as well as for some Al/Pt multilayers ignited as free-standing foils. The model was implemented in a finite element analysis code and used to match experimental burn front velocity data collected from several years of testing at Sandia National Laboratories. Moreover, both the simulations and experiments reveal well-defined quench limits in the total Al + Pt layer (i.e., bilayer) thickness. At these limits, the heat generated from atomic diffusion is insufficient to support a self-propagating wave front on top of the substrates. Quench limits for reactive multilayers are seldom reported and are found to depend on the thermal properties of the individual layers. Here, the diffusion-limited reaction model is generalized to allow for temperature- and composition-dependent material properties, phase change, and anisotropic thermal conductivity. Utilizing this increase in model fidelity, excellent overall agreement is shown between the simulations and experimental results with a single calibrated parameter set. However, the burn front velocities of Al/Pt multilayers ignited on tungsten substrates are over-predicted. Finally, possible sources of error are discussed and a higher activation energy (from 41.9 kJ/mol.at. to 47.5 kJ/mol.at.) is shown to bring the simulations into agreement with the velocity data observed on tungsten substrates. Finally, this higher activation energy suggests an inhibited diffusion mechanism present at lower heating rates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Anomalous lattice expansion in yttria stabilized zirconia under simultaneous applied electric and thermal fields: A time-resolved in situ energy dispersive x-ray diffractometry study with an ultrahigh energy synchrotron probe

Nonisothermal densification in 8% yttria doped zirconia (8YSZ) particulate matter of 250 nm median particle size was studied under 215 V/cm dc electric field and 9 Degree-Sign C/min heating rate, using time-resolved in-situ high temperature energy dispersive x-ray diffractometry with a polychromatic 200 keV synchrotron probe. Densification occurred in the 876-905 Degree-Sign C range, which resulted in 97% of the theoretical density. No local melting at particle-particle contacts was observed in scanning electron micrographs, implying densification was due to solid state mass transport processes. The maximum current draw at 905 Degree-Sign C was 3 A, corresponding to instantaneous absorbed power density of 570 W/cm{sup 3}. Densification of 8YSZ was accompanied by anomalous elastic volume expansions of the unit cell by 0.45% and 2.80% at 847 Degree-Sign C and 905 Degree-Sign C, respectively. The anomalous expansion at 905 Degree-Sign C at which maximum densification was observed is characterized by three stages: (I) linear stage, (II) anomalous stage, and (III) anelastic recovery stage. The densification in stage I (184 s) and II (15 s) was completed in 199 s, while anelastic relaxation in stage III lasted 130 s. The residual strains ({epsilon}) at room temperature, as computed from tetragonal (112) and (211) reflections, are {epsilon}{sub (112)} = 0.05% and {epsilon}{sub (211)} = 0.13%, respectively. Time dependence of (211) and (112) peak widths ({beta}) show a decrease with both exhibiting a singularity at 905 Degree-Sign C. An anisotropy in (112) and (211) peak widths of {l_brace} {beta}{sub (112)}/{beta}{sub (211)}{r_brace} = (3:1) magnitude was observed. No phase transformation occurred at 905 Degree-Sign C as verified from diffraction spectra on both sides of the singularity, i.e., the unit cell symmetry remains tetragonal. We attribute the reduction in densification temperature and time to ultrafast ambipolar diffusion of species arising from the superposition of mass fluxes due to Fickian diffusion, thermodiffusion (Soret effect), and electromigration, which in turn are a consequence of a superposition of chemical, temperature, and electrical potential gradients. On the other hand, we propose defect pile-up at particle-particle contacts and subsequent tunneling as a mechanism creating the 'burst-mode' discontinuous densification at the singularities observed at 847 and 905 Degree-Sign C.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Radiation effects on interface reactions of U/Fe, U/(Fe+Cr), and U/(Fe+Cr+Ni)

We study the effects of radiation damage on interdiffusion and intermetallic phase formation at the interfaces of U/Fe, U/(Fe + Cr), and U/(Fe + Cr + Ni) diffusion couples. Magnetron sputtering is used to deposit thin films of Fe, Fe + Cr, or Fe + Cr + Ni on U substrates to form the diffusion couples. One set of samples are thermally annealed under high vacuum at 450 C or 550 C for one hour. A second set of samples are annealed identically but with concurrent 3.5 MeV Fe++ ion irradiation. The Fe++ ion penetration depth is sufficient to reach the original interfaces. Rutherford backscattering spectrometry analysis with high fidelity spectral simulations is used to obtain interdiffusion profiles, which are used to examine differences in U diffusion and intermetallic phase formation at the buried interfaces. For all three diffusion systems, Fe++ ion irradiations enhance U diffusion. Furthermore, the irradiations accelerate the formation of intermetallic phases. In U/Fe couples, for example, the unirradiated samples show typical interdiffusion governed by Fick’s laws, while the irradiated ones show step-like profiles influenced by Gibbs phase rules.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Enhanced regeneration of degraded polymer solar cells by thermal annealing

The degradation and thermal regeneration of poly(3-hexylethiophene) (P3HT):[6,6]-phenyl-C{sub 61}-butyric acid methyl ester (PCBM) and P3HT:indene-C{sub 60} bisadduct (ICBA) polymer solar cells, with Ca/Al and Ca/Ag cathodes and indium tin oxide/poly(ethylene-dioxythiophene):polystyrene sulfonate anode have been investigated. Degradation occurs via a combination of three primary pathways: (1) cathodic oxidation, (2) active layer phase segregation, and (3) anodic diffusion. Fully degraded devices were subjected to thermal annealing under inert atmosphere. Degraded solar cells possessing Ca/Ag electrodes were observed to regenerate their performance, whereas solar cells having Ca/Al electrodes exhibited no significant regeneration of device characteristics after thermal annealing. Moreover, the solar cells with a P3HT:ICBA active layer exhibited enhanced regeneration compared to P3HT:PCBM active layer devices as a result of reduced changes to the active layer morphology. Devices combining a Ca/Ag cathode and P3HT:ICBA active layer demonstrated ∼50% performance restoration over several degradation/regeneration cycles.

36 MATERIALS SCIENCE↗

Nonlinear Transient Thermal Analysis by the Force-Derivative Method

High-speed vehicles such as the Space Shuttle Orbiter must withstand severe aerodynamic heating during reentry through the atmosphere. The Shuttle skin and substructure are constructed primarily of aluminum, which must be protected during reentry with a thermal protection system (TPS) from being overheated beyond the allowable temperature limit, so that the structural integrity is maintained for subsequent flights. High-temperature reusable surface insulation (HRSI), a popular choice of passive insulation system, typically absorbs the incoming radiative or convective heat at its surface and then re-radiates most of it to the atmosphere while conducting the smallest amount possible to the structure by virtue of its low diffusivity. In order to ensure a successful thermal performance of the Shuttle under a prescribed reentry flight profile, a preflight reentry heating thermal analysis of the Shuttle must be done. The surface temperature profile, the transient response of the HRSI interior, and the structural temperatures are all required to evaluate the functioning of the HRSI. Transient temperature distributions which identify the regions of high temperature gradients, are also required to compute the thermal loads for a structural thermal stress analysis. Furthermore, a nonlinear analysis is necessary to account for the temperature-dependent thermal properties of the HRSI as well as to model radiation losses.

Balakrishnan, Narayani V.↗

Reexamination of hydrodynamic phonon transport in thin graphite

The recent hydrodynamic phonon transport theory for graphitic materials has been supported by the measurements of the second sound at temperatures up to about 100 K. When boundary scattering becomes comparable to momentum-conserving normal phonon scattering processes that are responsible for phonon hydrodynamics, Poiseuille phonon flow phenomena can emerge to give rise to unique size-dependent thermal conductivity in thin graphite. Here, we examine the thickness range for the Poiseuille phonon flow to become observable in thin graphite with the use of both deviational Monte Carlo simulation of the Peierls-Boltzmann transport equation and four-probe thermal transport measurements. As the basal-plane thermal conductivity calculated by prior first-principles theories saturates to the graphite value when the thickness is increased to five graphene layers, the phonon dispersion of graphite is used in the current calculations of thin graphite of micrometer thickness and a 23-layer thick ultrathin graphite (UTG) sample. The calculations show that diffuse surface scattering by surface defects can lead to Poiseuille phonon flow at 50 K in thin graphite with the thickness close to several micrometers but not in the 65 μm thin graphite and 23-layer UTG, where phonon scattering by the top and bottom surfaces become, respectively, much less and more frequent than the normal processes. In addition, the calculation results with the bulk graphite dispersion and diffuse surface scattering show decreased basal-plane thermal conductivity with decreasing thickness, opposite to recent thermocouple measurements of thin graphite samples. In comparison, the calculation results reveal that partially diffuse surface defect scattering can yield the four-probe measurement results of UTG samples, which are prepared here with an improved process to minimize surface contamination.

36 MATERIALS SCIENCE↗

Effects of diffusion barriers on reaction wave stability in Co/Al reactive multilayers

Bimetallic, reactive multilayers are uniformly structured materials composed of alternating sputter-deposited layers that may be ignited to produce self-propagating mixing and formation reactions. These nanolaminates are most commonly used as rapid-release heat sources. The specific chemical composition at each metal/metal interface determines the rate of mass transport in a mixing and formation reaction. The inclusion of engineered diffusion barriers at each interface will not only inhibit solid-state mixing but also may impede the self-propagating reactions by introducing instabilities to wavefront morphology. Here, this work examines the effect of adding diffusion barriers on the propagation of reaction waves in Co/Al multilayers. The Co/Al system has been shown to exhibit a reaction propagation instability that is dependent on the bilayer thickness, which allows for the occurrence of unstable modes in otherwise stable designs from the inclusion of diffusion barriers. Based on the known stability criteria in the Co/Al multilayer system, the way in which the inclusion of diffusion barriers changes a multilayer's heat of reaction, thermal conductivity, and material mixing mechanisms can be determined. These factors, in aggregate, lead to changes in the wavefront velocity and stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microstructural, thermal and antibacterial properties of electron beam irradiated Bombyx mori silk fibroin films

The Bombyx mori silk fibroin (SF) films were prepared by solution casting method and the effects of electron beam on structural, thermal and antibacterial responses of the prepared films were studied. The electron irradiation for different doses was carried out using 8 MeV Microtron facility at Mangalore University. The changes in microstructural parameters and thermal stability of the films were investigated using Wide Angle X-ray Scattering (WAXS) and thermogravimetric analysis (TGA) respectively. Both microstructuralline parameters (crystallite size and lattice strain (g in %)) and thermal stability of the irradiated films have increased with radiation dosage. Agar diffusion method demonstrated the antibacterial activity of SF film which was increased after irradiation on both Gram-positive and Gram-negative species.

36 MATERIALS SCIENCE↗