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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Bulk reconstruction and non-isometry in the backwards-forwards holographic black hole map

The backwards-forwards map, introduced as a generalization of the non-isometric holographic maps of the black hole interior of Akers, Engelhardt, Harlow, Penington, and Vardhan to include non-trivial dynamics in the effective description, has two possible formulations differing in when the post-selection is performed. While these two forms are equivalent on the set of dynamically generated states — states formed from unitary time evolution acting on well-defined initial configurations of infalling matter — they differ on the generic set of states necessary to describe the apparent world of the infalling observer. We show that while both versions successfully reproduce the Page curve, the version involving post-selection as the final step, dubbed the backwards-forwards-post-selection (BFP) map, has the desirable properties of being non-isometric but isometric on average and providing state-dependent reconstruction of bulk operators, while the other version does not. Thus the BFP map is a suitable non-isometric code describing the black hole interior including interior interactions.

3-D Image Reconstruction↗
DOE OSTI2014

A new architecture for fast ultrasound imaging

Some ultrasound imaging applications require high frame rate, for example 3D imaging and automated inspections of large components. Being the signal-processing throughput of the system the main bottleneck, parallel beamforming is required to achieve hundreds to thousands of images per second. Simultaneous A-scan line beamforming in all active channels is required to reach the intended high frame rate. To this purpose, a new parallel beamforming architecture that exploits the currently available processing resources available in state-of-the-art FPGAs is proposed. The work aims to get the optimal resource usage, high scalability and flexibility for different applications. To achieve these goals, the basic beamforming function is reformulated to be adapted to the DSP-cell architecture of state-of-the-art FPGAs. This allows performing simultaneous dynamic focusing on multiple A-scan lines. Some realistic examples are analyzed, evaluating resource requirements and maximum operating frequency. For example, a 128-channel system, with 128 scan lines and acquiring at 20 MSPS, can be built with 4 mid-range FPGAs, achieving up to 18000 frames per second, just limited by the maximum PRF. The gold standard Synthetic Transmit Aperture method (also called Total Focusing Method) can be carried out in real time at a processing rate of 140 high-resolution images per second (16 cm depth on steel)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Multi-bit quantum random number generation by measuring positions of arrival photons

We report upon the realization of a novel multi-bit optical quantum random number generator by continuously measuring the arrival positions of photon emitted from a LED using MCP-based WSA photon counting imaging detector. A spatial encoding method is proposed to extract multi-bits random number from the position coordinates of each detected photon. The randomness of bits sequence relies on the intrinsic randomness of the quantum physical processes of photonic emission and subsequent photoelectric conversion. A prototype has been built and the random bit generation rate could reach 8 Mbit/s, with random bit generation efficiency of 16 bits per detected photon. FPGA implementation of Huffman coding is proposed to reduce the bias of raw extracted random bits. The random numbers passed all tests for physical random number generator.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Squeezed Light Stimulated Raman Scattering (SRS) Microscopy for Bioenergy Applications

Stimulated Raman scattering (SRS) microscopy using picosecond near-IR pulses have provided a great penetration depth with reduced fluorescence interference when imaging biological samples for bioenergy applications. These tools have provided insight into 1) tracking the degradation of chemical composites in biomass feedstocks to investigate the recalcitrant factors during the deconstruction processes, 2) monitoring the production of chemicals in photosynthetic plants and wood-digesting microorganisms, and 3) probing plant-bacteria interactions. However, the above processes are usually slow and require continuous imaging for an extended period. This is challenging for classic SRS because the laser power needed to achieve enough sensitivity causes photodamage in the samples during such long experiments. Quantum-squeezed light with reduced noise in the intensity quadrature can improve the sensitivity of classic SRS microscopy beyond the shot noise limit. The successful squeezing of one of the picosecond pulses in the above SRS will improve sensitivity and reduce photodamage, greatly expanding the range of studies available to SRS microscopy.

BIOMASS FUELS↗
DOE OSTI2010

Simulation of image detectors in radiology for determination of scatter-to-primary ratios using Monte Carlo radiation transport code MCNP/MCNPX

Purpose: The purpose of this study was to compare and validate three methods to simulate radiographic image detectors with the Monte Carlo software MCNP/MCNPX in a time efficient way. Methods: The first detector model was the standard semideterministic radiography tally, which has been used in previous image simulation studies. Next to the radiography tally two alternative stochastic detector models were developed: A perfect energy integrating detector and a detector based on the energy absorbed in the detector material. Validation of three image detector models was performed by comparing calculated scatter-to-primary ratios (SPRs) with the published and experimentally acquired SPR values. Results: For mammographic applications, SPRs computed with the radiography tally were up to 44% larger than the published results, while the SPRs computed with the perfect energy integrating detectors and the blur-free absorbed energy detector model were, on the average, 0.3% (ranging from -3% to 3%) and 0.4% (ranging from -5% to 5%) lower, respectively. For general radiography applications, the radiography tally overestimated the measured SPR by as much as 46%. The SPRs calculated with the perfect energy integrating detectors were, on the average, 4.7% (ranging from -5.3% to -4%) lower than the measured SPRs, whereas for the blur-free absorbed energy detector model, the calculated SPRs were, on the average, 1.3% (ranging from -0.1% to 2.4%) larger than the measured SPRs. Conclusions: For mammographic applications, both the perfect energy integrating detector model and the blur-free energy absorbing detector model can be used to simulate image detectors, whereas for conventional x-ray imaging using higher energies, the blur-free energy absorbing detector model is the most appropriate image detector model. The radiography tally overestimates the scattered part and should therefore not be used to simulate radiographic image detectors.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2011

A generic, geometric cocalibration method for a combined system of fluorescence molecular tomography and microcomputed tomography with arbitrarily shaped objects

Purpose: A combined system of fluorescence molecular tomography and microcomputed tomography (FMT and mCT) can provide molecular and anatomical information of small animals in a single study with intrinsically coregistered images. The anatomical information provided by the mCT subsystem is commonly used as a reference to locate the fluorophore distribution or as a priori structural information to improve the performance of FMT. Therefore, the transformation between the coordinate systems of the subsystem needs to be determined in advanced. Methods: A cocalibration method for the combined system of FMT and mCT is proposed. First, linear models are adopted to describe the galvano mirrors and the charge-coupled device (CCD) camera in the FMT subsystem. Second, the position and orientation of the galvano mirrors are determined with the input voltages of the galvano mirrors and the markers, whose positions are predetermined. The position, orientation and normalized pixel size of the CCD camera are obtained by analysing the projections of a point-like marker at different positions. Finally, the orientation and position of sources and the corresponding relationship between the detectors and their projections on the image plane are predicted. Because the positions of the markers are acquired with mCT, the registration of the FMT and mCT could be realized by direct image fusion. Results: The accuracy and consistency of this method in the presence of noise is evaluated by computer simulation. Next, a practical implementation for an experimental FMT and mCT system is carried out and validated. The maximum prediction error of the source positions on the surface of a cylindrical phantom is within 0.375 mm and that of the projections of a point-like marker is within 0.629 pixel. Finally, imaging experiments of the fluorophore distribution in a cylindrical phantom and a phantom with a complex shape demonstrate the feasibility of the proposed method. Conclusions: This method is universal in FMT and mCT, which could be performed with no restriction on the system geometry, calibration phantoms or imaging objects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Collimator design for a dedicated molecular breast imaging-guided biopsy system: Proof-of-concept

Purpose: Molecular breast imaging (MBI) is a dedicated nuclear medicine breast imaging modality that employs dual-head cadmium zinc telluride (CZT) gamma cameras to functionally detect breast cancer. MBI has been shown to detect breast cancers otherwise occult on mammography and ultrasound. Currently, a MBI-guided biopsy system does not exist to biopsy such lesions. Our objective was to consider the utility of a novel conical slant-hole (CSH) collimator for rapid (<1 min) and accurate monitoring of lesion position to serve as part of a MBI-guided biopsy system. Methods: An initial CSH collimator design was derived from the dimensions of a parallel-hole collimator optimized for MBI performed with dual-head CZT gamma cameras. The parameters of the CSH collimator included the collimator height, cone slant angle, thickness of septa and cones of the collimator, and the annular areas exposed at the base of the cones. These parameters were varied within the geometric constraints of the MBI system to create several potential CSH collimator designs. The CSH collimator designs were evaluated using Monte Carlo simulations. The model included a breast compressed to a thickness of 6 cm with a 1-cm diameter lesion located 3 cm from the collimator face. The number of particles simulated was chosen to represent the count density of a low-dose, screening MBI study acquired with the parallel-hole collimator for 10 min after a {approx}150 MBq (4 mCi) injection of Tc-99m sestamibi. The same number of particles was used for the CSH collimator simulations. In the resulting simulated images, the count sensitivity, spatial resolution, and accuracy of the lesion depth determined from the lesion profile width were evaluated. Results: The CSH collimator design with default parameters derived from the optimal parallel-hole collimator provided 1-min images with error in the lesion depth estimation of 1.1 {+-} 0.7 mm and over 21 times the lesion count sensitivity relative to 1-min images acquired with the current parallel-hole collimator. Sensitivity was increased via more vertical cone slant angles, larger annular areas, thinner cone walls, shorter cone heights, and thinner radiating septa. Full width at half maximum trended in the opposite direction as sensitivity for all parameters. There was less error in the depth estimates for less vertical slant angles, smaller annular areas, thinner cone walls, cone heights near 1 cm, and generally thinner radiating septa. Conclusions: A Monte Carlo model was used to demonstrate the feasibility of a CSH collimator design for rapid biopsy application in molecular breast imaging. Specifically, lesion depth of a 1-cm diameter lesion positioned in the center of a typical breast can be estimated with error of less than 2 mm using circumferential count profiles of images acquired in 1 min.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Entangled Photon Spectroscopy

Conspectus The enhanced interest in quantum-related phenomena has provided new opportunities for chemists to push the limits of detection and analysis of chemical processes. As some have called this the second quantum revolution, a time has come to apply the rules learned from previous research in quantum phenomena toward new methods and technologies important to chemists. While there has been great interest recently in quantum information science (QIS), the quest to understand how nonclassical states of light interact with matter has been ongoing for more than two decades. Our entry into this field started around this time with the use of materials to produce nonclassical states of light. Here, the process of multiphoton absorption led to photon-number squeezed states of light, where the photon statistics are sub-Poissonian. In addition to the great interest in generating squeezed states of light, there was also interest in the formation of entangled states of light. While much of the effort is still in foundational physics, there are numerous new avenues as to how quantum entanglement can be applied to spectroscopy, imaging, and sensing. These opportunities could have a large impact on the chemical community for a broad spectrum of applications. Here, we discuss the use of entangled (or quantum) light for spectroscopy as well as applications in microscopy and interferometry. The potential benefits of the use of quantum light are discussed in detail. From the first experiments in porphyrin dendrimer systems by Dr. Dong-Ik Lee in our group to the measurements of the entangled two photon absorption cross sections of biological systems such as flavoproteins, the usefulness of entangled light for spectroscopy has been illustrated. These early measurements led the way to more advanced measurements of the unique characteristics of both entangled light and the entangled photon absorption cross-section, which provides new control knobs for manipulating excited states in molecules. The first reports of fluorescence-induced entangled processes were in organic chromophores where the entangled photon cross-section was measured. These results would later have widespread impact in applications such as entangled two-photon microscopy. From our design, construction and implementation of a quantum entangled photon excited microscope, important imaging capabilities were achieved at an unprecedented low excitation intensity of 10 7 photons/s, which is 6 orders of magnitude lower than the excitation level for the classical two-photon image. New reports have also illustrated an advantage of nonclassical light in Raman imaging as well. From a standpoint of more precise measurements, the use of entangled photons in quantum interferometry may offer new opportunities for chemistry research. Experiments that combine molecular spectroscopy and quantum interferometry, by utilizing the correlations of entangled photons in a Hong–Ou–Mandel (HOM) interferometer, have been carried out. The initial experiment showed that the HOM signal is sensitive to the presence of a resonant organic sample placed in one arm of the interferometer. In addition, parameters such as the dephasing time have been obtained with the opportunity for even more advanced phenomenology in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Swept source optical coherence tomography for in vivo imaging and vibrometry in the apex of the mouse cochlea

Cochlear amplification has been most commonly investigated by measuring the vibrations of the basilar membrane in animal models. Several different techniques have been used for measuring these vibrations such as laser Doppler vibrometry, miniature pressure sensors, low coherence interferometry, and spectral-domain optical coherence tomography (SD-OCT). We have built a swept-source OCT (SS-OCT) system, which is similar to SD-OCT in that it is capable of performing both imaging and vibration measurements within the mouse cochlea in vivo without having to open the bone. In vivo 3D images of a mouse cochlea were obtained, and the basilar membrane, tectorial membrane, Reissner’s membrane, tunnel of Corti, and reticular lamina could all be resolved. We measured vibrations of multiple structures within the mouse cochlea to sound stimuli. As well, we measured the radial deflections of the reticular lamina and tectorial membrane to estimate the displacement of the outer hair cell stereocilia. These measurements have the potential to more clearly define the mechanisms underlying the linear and non-linear processes within the mammalian cochlea.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Dual energy phase contrast x-ray imaging with Talbot-Lau interferometer

In weakly absorbing materials such as polymers and soft tissue, x-ray phase sensitive imaging methods can provide substantially enhanced contrast compared to classical, absorption based radiography. For specific applications, the latter can be applied in a dual energy scheme that helps to identify, discriminate and/or quantify materials. In this paper, we report on a new method that combines the idea of dual energy with x-ray phase contrast imaging and thus provides material sensitivity among poor absorbers. The dual energy modality cannot be applied in common phase contrast imaging schemes because of their demand for limited bandwidth or even monochromatic x-ray sources. Our new interferometric method based on diffraction gratings can overcome this shortcoming and thus simultaneously deliver x-ray phase contrast images for two distinct x-ray energy intervals. It has been shown that high quality images can be obtained with the dual energy phase setup. Energy spectra with 40 kV and 70 kV were applied to obtain low- and high-energy images, respectively. Furthermore, an estimation of the effective energy in the image formation process for absorption and phase contrast was experimentally determined. Examples are shown for which the dual energy phase contrast modality delivers complementary information on material composition when compared with the conventional dual energy scheme.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Virtual ultrasound sources for inspecting nuclear components of coarse-grained structure

This work describes an ultrasonic inspection procedure designed for verifying coarse-grained structure materials, which are commonly used on nuclear reactors. In this case, conventional phased array techniques cannot be used due to attenuating characteristics and backscattered noise from microstructures inside the material. Thus, synthetic aperture ultrasonic imaging (SAFT) is used for this approach in contact conditions. In order to increase energy transferred to the medium, synthetic transmit aperture is formed by several elements which generate a diverging wavefront equivalent to a virtual ultrasound source behind the transducer. On the other hand, the phase coherence technique has been applied to reduce more structural noise and improve the image quality. The beamforming process has been implemented over a GPU platform to reduce computing time.

42 ENGINEERING↗
DOE OSTI2011

Comparative performance of multiview stereoscopic and mammographic display modalities for breast lesion detection

Purpose: Mammography is known to be one of the most difficult radiographic exams to interpret. Mammography has important limitations, including the superposition of normal tissue that can obscure a mass, chance alignment of normal tissue to mimic a true lesion and the inability to derive volumetric information. It has been shown that stereomammography can overcome these deficiencies by showing that layers of normal tissue lay at different depths. If standard stereomammography (i.e., a single stereoscopic pair consisting of two projection images) can significantly improve lesion detection, how will multiview stereoscopy (MVS), where many projection images are used, compare to mammography? The aim of this study was to assess the relative performance of MVS compared to mammography for breast mass detection. Methods: The MVS image sets consisted of the 25 raw projection images acquired over an arc of approximately 45 deg. using a Siemens prototype breast tomosynthesis system. The mammograms were acquired using a commercial Siemens FFDM system. The raw data were taken from both of these systems for 27 cases and realistic simulated mass lesions were added to duplicates of the 27 images at the same local contrast. The images with lesions (27 mammography and 27 MVS) and the images without lesions (27 mammography and 27 MVS) were then postprocessed to provide comparable and representative image appearance across the two modalities. All 108 image sets were shown to five full-time breast imaging radiologists in random order on a state-of-the-art stereoscopic display. The observers were asked to give a confidence rating for each image (0 for lesion definitely not present, 100 for lesion definitely present). The ratings were then compiled and processed using ROC and variance analysis. Results: The mean AUC for the five observers was 0.614{+-}0.055 for mammography and 0.778{+-}0.052 for multiview stereoscopy. The difference of 0.164{+-}0.065 was statistically significant with a p-value of 0.0148. Conclusions: The differences in the AUCs and the p-value suggest that multiview stereoscopy has a statistically significant advantage over mammography in the detection of simulated breast masses. This highlights the dominance of anatomical noise compared to quantum noise for breast mass detection. It also shows that significant lesion detection can be achieved with MVS without any of the artifacts associated with tomosynthesis.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Infrared Imaging Using Thermally Stable HgTe/CdS Nanocrystals

Transferring nanocrystals (NCs) from the laboratory environment toward practical applications has raised new challenges. HgTe appears as the most spectrally tunable infrared colloidal platform. Its low-temperature synthesis reduces the growth energy cost yet also favors sintering. Once coupled to a read-out circuit, the Joule effect aggregates the particles, leading to a poorly defined optical edge and large dark current. Here, in this study, we demonstrate that CdS shells bring the expected thermal stability (no redshift upon annealing, reduced tendency to form amalgams, and preservation of photoconduction after an atomic layer deposition process). The electronic structure of these confined particles is unveiled using k.p self-consistent simulations showing a significant exciton binding energy of ~ 200 meV. After shelling, the material displays a p-type behavior that favors the generation of photoconductive gain. The latter is then used to increase the external quantum efficiency of an infrared imager, which now reaches 40% while presenting long-term stability.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Structure analysis of turbulent liquid phase by POD and LSE techniques

In this paper, vortical structures and turbulence characteristics of liquid phase in both single liquid phase and two-phase slug flow in pipes were studied. Two dimensional velocity vector fields of liquid phase were obtained by Particle image velocimetry (PIV). Two cases were considered one single phase liquid flow at 80 l/m and second slug flow by introducing gas at 60 l/m while keeping liquid flow rate same. Proper orthogonal decomposition (POD) and Linear stochastic estimation techniques were used for the extraction of coherent structures and analysis of turbulence in liquid phase for both cases. POD has successfully revealed large energy containing structures. The time dependent POD spatial mode coefficients oscillate with high frequency for high mode numbers. The energy distribution of spatial modes was also achieved. LSE has pointed out the coherent structured for both cases and the reconstructed velocity fields are in well agreement with the instantaneous velocity fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Cone beam x-ray luminescence computed tomography: A feasibility study

Purpose: The appearance of x-ray luminescence computed tomography (XLCT) opens new possibilities to perform molecular imaging by x ray. In the previous XLCT system, the sample was irradiated by a sequence of narrow x-ray beams and the x-ray luminescence was measured by a highly sensitive charge coupled device (CCD) camera. This resulted in a relatively long sampling time and relatively low utilization of the x-ray beam. In this paper, a novel cone beam x-ray luminescence computed tomography strategy is proposed, which can fully utilize the x-ray dose and shorten the scanning time. The imaging model and reconstruction method are described. The validity of the imaging strategy has been studied in this paper. Methods: In the cone beam XLCT system, the cone beam x ray was adopted to illuminate the sample and a highly sensitive CCD camera was utilized to acquire luminescent photons emitted from the sample. Photons scattering in biological tissues makes it an ill-posed problem to reconstruct the 3D distribution of the x-ray luminescent sample in the cone beam XLCT. In order to overcome this issue, the authors used the diffusion approximation model to describe the photon propagation in tissues, and employed the sparse regularization method for reconstruction. An incomplete variables truncated conjugate gradient method and permissible region strategy were used for reconstruction. Meanwhile, traditional x-ray CT imaging could also be performed in this system. The x-ray attenuation effect has been considered in their imaging model, which is helpful in improving the reconstruction accuracy. Results: First, simulation experiments with cylinder phantoms were carried out to illustrate the validity of the proposed compensated method. The experimental results showed that the location error of the compensated algorithm was smaller than that of the uncompensated method. The permissible region strategy was applied and reduced the reconstruction error to less than 2 mm. The robustness and stability were then evaluated from different view numbers, different regularization parameters, different measurement noise levels, and optical parameters mismatch. The reconstruction results showed that the settings had a small effect on the reconstruction. The nonhomogeneous phantom simulation was also carried out to simulate a more complex experimental situation and evaluated their proposed method. Second, the physical cylinder phantom experiments further showed similar results in their prototype XLCT system. With the discussion of the above experiments, it was shown that the proposed method is feasible to the general case and actual experiments. Conclusions: Utilizing numerical simulation and physical experiments, the authors demonstrated the validity of the new cone beam XLCT method. Furthermore, compared with the previous narrow beam XLCT, the cone beam XLCT could more fully utilize the x-ray dose and the scanning time would be shortened greatly. The study of both simulation experiments and physical phantom experiments indicated that the proposed method was feasible to the general case and actual experiments.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Luminescence properties of LaF{sub 3}:Ce nanoparticles encapsulated by oleic acid

Highlights: • In-situ hydrophobization of water dispersible LaF{sub 3}:Ce nanoparticles was achieved. • Oleic acid surface modification of the nanoparticles was verified by IR spectra. • Quantum yields of LaF{sub 3}:Ce and OA-LaF{sub 3}:Ce nanoparticles were evaluated. • Quantum yields of LaF{sub 3}:Ce are strongly dependent on OA surface modification. - Abstract: Cerium ions doped lanthanum fluoride (LaF{sub 3}:Ce) nanopowder as well as LaF{sub 3}:Ce nanopowder whose surfaces was modified by oleic acid (OA) were synthesized by using an in-situ hydrothermal process under the various doping concentrations. Based on the XRD spectra and TEM images, it was confirmed that the crystalline structured hexagonal LaF{sub 3}:Ce nanopowder was synthesized. Oleic acid was efficient for conversion of the water dispersible LaF{sub 3}:Ce nanoparticles to hydrophobic ones. Surface modification was verified by FTIR absorption spectrum as well as TEM images, showing no agglomeration between 5 and 10 nm scaled particles. Photoluminescence based on 5d ⟶ 4f electronic transition of cerium ions excited at λ{sub ex} ∼256 nm for both neat and OA encapsulated LaF{sub 3}:Ce nanoparticles decreases as the cerium concentration increases, while the quantum yields of OA encapsulated nanoparticles were much lower than the neat particles due to low photon transmittance of OA at the range longer than ∼350 nm.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Highly efficient photoelectric effect in halide perovskites for regenerative electron sources

Electron sources are a critical component in a wide range of applications such as electron-beam accelerator facilities, photomultipliers, and image intensifiers for night vision. We report efficient, regenerative and low-cost electron sources based on solution-processed halide perovskites thin films when they are excited with light with energy equal to or above their bandgap. We measure a quantum efficiency up to 2.2% and a lifetime of more than 25 h. Importantly, even after degradation, the electron emission can be completely regenerated to its maximum efficiency by deposition of a monolayer of Cs. The electron emission from halide perovskites can be tuned over the visible and ultraviolet spectrum, and operates at vacuum levels with pressures at least two-orders higher than in state-of-the-art semiconductor electron sources.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Reproducible radiation-damage processes in proteins irradiated by intense x-ray pulses

X-ray free-electron lasers have enabled femtosecond protein nanocrystallography, a novel method to determine the structure of proteins. It allows time-resolved imaging of nanocrystals that are too small for conventional crystallography. The short pulse duration helps in overcoming the detrimental effects of radiation damage because x rays are scattered before the sample has been significantly altered. It has been suggested that, fortuitously, the diffraction process self-terminates abruptly once radiation damage destroys the crystalline order. Our calculations show that high-intensity x-ray pulses indeed trigger a cascade of damage processes in ferredoxin crystals, a particular metalloprotein of interest. However, we found that the damage process is initially not completely random. Correlations exist among the protein monomers, so that Bragg diffraction still occurs in the damaged crystals, despite significant atomic displacements. Our results show that the damage process is reproducible to a certain degree, which is potentially beneficial for the orientation step in single-molecule imaging.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗