PyLCP: A Python package for computing laser cooling physics.

We present a Python object-oriented computer program for simulating various aspects of laser cooling physics. Our software is designed to be both easy to use and adaptable, allowing the user to specify the level structure, magnetic field profile, or the laser beams' geometry, detuning, and intensity. The program contains three levels of approximation for the motion of the atom, applicable in different regimes offering cross checks for calculations and computational efficiency depending on the physical situation. We test the software by reproducing well-known phenomena, such as damped Rabi flopping, electromagnetically induced transparency, stimulated Raman adiabatic passage, and optical molasses. We also use our software package to quantitatively simulate recoil-limited magneto-optical traps, like those formed on the narrow 1S0 → 3P1 transition in 88Sr and 87Sr.

Measured relationship between thermodynamic pressure and refractivity for six candidate gases in laser barometry.

Laser refractometers are approaching accuracy levels where gas pressures in the range 1 Pa < p < 1 MPa inferred by measurements of gas refractivity at a known temperature will be competitive with the best existing pressure standards and sensors. Here, the authors develop the relationship between pressure and refractivity p = c 1 ⋅ ( n - 1 ) + c 2 ⋅ ( n - 1 ) 2 + c 3 ⋅ ( n - 1 ) 3 + ⋯ , via measurement at T = 293.1529(13) K and λ = 632.9908(2) nm for p ≤ 500 kPa. The authors give values of the coefficients c 1, c 2, c 3 for six gases: Ne, Ar, Xe, N2, CO2, and N2O. For each gas, the resulting molar polarizability A R ≡ 2 R T 3 c 1 has a standard uncertainty within 16 × 10-6·A R . In these experiments, pressure was realized via measurements of helium refractivity at a known temperature: for He, the relationship between pressure and refractivity is known through calculation much more accurately than it can presently be measured. This feature allowed them to calibrate a pressure transducer in situ with helium and subsequently use the transducer to accurately gage the relationship between pressure and refractivity on an isotherm for other gases of interest.

Challenges to miniaturizing cold atom technology for deployable vacuum metrology.

Cold atoms are excellent metrological tools; they currently realize SI time and, soon, SI pressure in the ultra-high (UHV) and extreme high vacuum (XHV) regimes. The development of primary, vacuum metrology based on cold atoms currently falls under the purview of national metrology institutes. Under the emerging paradigm of the "quantum-SI", these technologies become deployable (relatively easy-to-use sensors that integrate with other vacuum chambers), providing a primary realization of the pascal in the UHV and XHV for the end-user. Here, we discuss the challenges that this goal presents. We investigate, for two different modes of operation, the expected corrections to the ideal cold-atom vacuum gauge and estimate the associated uncertainties. Finally, we discuss the appropriate choice of sensor atom, the light Li atom rather than the heavier Rb.

Vacuum Furnace for Degassing Stainless-Steel Vacuum Components.

Ultra-high vacuum systems must often be constructed of materials with ultra-low outgassing rates to achieve pressure of 10-6 Pa and below. Any component placed into the ultra-high vacuum system must also be constructed of materials with ultra-low outgassing rates. Baking stainless steel vacuum components to a temperature range of 400 °C to 450 °C while under vacuum is an effective method to reduce the outgassing rate of vacuum components for use in ultra-high vacuum systems. The design, construction, and operation of a vacuum furnace capable of baking vacuum components to a temperature of 450° C while maintaining a pressure of 10-3 Pa or lower is described. The furnace has been used for extended bakes at 450 °C while maintaining pressures below 10-5 Pa. As an example, we obtained an outgassing rate of 1.2 × 10-9 Pa L s-1 for a gate valve baked for 20 days at a temperature of 420 °C.

Quantum-based vacuum metrology at NIST.

The measurement science in realizing and disseminating the unit for pressure in the International System of Units (SI), the pascal (Pa), has been the subject of much interest at NIST. Modern optical-based techniques for pascal metrology have been investigated, including multi-photon ionization and cavity ringdown spectroscopy. Work is ongoing to recast the pascal in terms of quantum properties and fundamental constants and in so doing, make vacuum metrology consistent with the global trend toward quantum-based metrology. NIST has ongoing projects that interrogate the index of refraction of a gas using an optical cavity for low vacuum, and count background particles in high vacuum to extreme high vacuum using trapped laser-cooled atoms.

Development of a new UHV/XHV pressure standard (Cold Atom Vacuum Standard).

The National Institute of Standards and Technology has recently begun a program to develop a primary pressure standard that is based on ultra-cold atoms, covering a pressure range of 1 × 10-6 Pa to 1 × 10-10 Pa and possibly lower. These pressures correspond to the entire ultra-high vacuum (UHV) range and extend into the extreme-high vacuum (XHV). This cold-atom vacuum standard (CAVS) is both a primary standard and absolute sensor of vacuum. The CAVS is based on the loss of cold, sensor atoms (such as the alkali-metal lithium) from a magnetic trap due to collisions with the background gas (primarily H2) in the vacuum. The pressure is determined from a thermally-averaged collision cross section, which is a fundamental atomic property, and the measured loss rate. The CAVS is primary because it will use collision cross sections determined from ab initio calculations for the Li + H2 system. Primary traceability is transferred to other systems of interest using sensitivity coefficients.

Investigations of medium-temperature heat treatments to achieve low outgassing rates in stainless steel ultrahigh vacuum chambers.

The authors investigated the outgassing rates and fluxes of vacuum chambers constructed from common 304L stainless steel vacuum components and subjected to heat treatments. Our goal was to obtain H2 outgassing flux on the order of 10-11 Pa l s-1cm-2 or better from standard stainless steel vacuum components readily available from a variety of manufacturers. The authors found that a medium-temperature bake in the range of 400 to 450°C, performed with the interior of the chamber under vacuum, was sufficient to produce the desired outgassing flux. The authors also found that identical vacuum components baked in air at the same temperature for the same amount of time did not produce the same low outgassing flux. In that case, the H2 outgassing flux was lower than that of a stainless-steel chamber with no heat treatment, but was still approximately 1 order of magnitude higher than that of the medium-temperature vacuum-bake. Additionally, the authors took the chamber that was subjected to the medium-temperature vacuum heat treatment and performed a 24-h air bake at 430°C. This additional heat treatment lowered the outgassing rate by nearly a factor of two, which strongly suggests that the air-bake created an oxide layer which reduced the hydrogen recombination rate on the surface. [http://dx.doi.org/10.1116/1.4983211].

Gas Uptake of 3-D Printed Acrylonitrile Butadiene Styrene (ABS) Using a Vacuum Apparatus Designed for Absorption and Desorption Studies.

We describe a vacuum apparatus for determining the outgassing rate into vacuum, the diffusion coefficient, and the amount of gas absorbed for various materials. The diffusion coefficient is determined from a model applied to time-dependent desorption data taken using a throughput method. We used this method to determine the diffusion coefficient, D, for H2O in 3-D printed acrylonitrile butadiene styrene (ABS). We found DH2O = 8.3 × 10-8 cm2/s ± 1.3 × 10-8 cm2/s (k = 1; 67% confidence interval) at 23.2 °C. This result was compared to the diffusion coefficient determined another by a gravimetric method, in which the sample weight was monitored as it absorbed gas from the atmosphere. The two methods agreed to within 3%, which is well within the uncertainty of the measurement. We also found that at least 80% of the atmospheric gas (air) absorbed by the ABS is water. The total amount of all atmospheric gas absorbed by ABS was about 0.35% by weight when exposed to ambient air in the laboratory, which was at a pressure of 101 kPa with a relative humidity of 57% at 22.2 °C.

Precise quantum measurement of vacuum with cold atoms.

We describe the cold-atom vacuum standards (CAVS) under development at the National Institute of Standards and Technology (NIST). The CAVS measures pressure in the ultra-high and extreme-high vacuum regimes by measuring the loss rate of sub-millikelvin sensor atoms from a magnetic trap. Ab initio quantum scattering calculations of cross sections and rate coefficients relate the density of background gas molecules or atoms to the loss rate of ultra-cold sensor atoms. The resulting measurement of pressure through the ideal gas law is traceable to the second and the kelvin, making it a primary realization of the pascal. At NIST, two versions of the CAVS have been constructed: a laboratory standard used to achieve the lowest possible uncertainties and pressures, and a portable version that is a potential replacement for the Bayard-Alpert ionization gauge. Both types of CAVSs are connected to a combined extreme-high vacuum flowmeter and dynamic expansion system to enable sensing of a known pressure of gas. In the near future, we anticipate being able to compare the laboratory scale CAVS, the portable CAVS, and the flowmeter/dynamic expansion system to validate the operation of the CAVS as both a standard and vacuum gauge.

Data from cryo-neutron phase change experiments with LH2 and LCH4.

Cryogenic Propellant management is a critical roadblock to enable long term space missions. Commonly used propellants (liquid hydrogen and methane) undergo constant vaporization but there is limited knowledge on the phase change rate and its implications on long term storage stability. This is, in part, due to the inability to image the liquid-vapor mixture inside opaque metallic containers at cryogenic temperatures. Here, neutron imaging is used as a visualization technique to track the liquid-vapor interface inside Al 6061 and SS 316 test cells. The data contains first known images of steady evaporation/condensation in cryogenic propellants. The experiments were conducted at the NIST Center for Neutron Research using the BT-2 Neutron Imaging facility. The test cells were instrumented with temperature sensors and inserted into a 70-mm liquid helium cryostat before being placed into the neutron beam. Temperatures and pressures were altered to achieve condensation/evaporation and Neutron images were captured during the entire phase change process. Phase change rates were obtained through image processing. The data contains raw images and processed phase change rates along with experimental temperature and pressure. The one-of-a-kind data could be used for model validation, correlation development or serve as a benchmark for future experiments.

Collisions of room-temperature helium with ultracold lithium and the van der Waals bound state of HeLi.

We have computed the thermally averaged total, elastic rate coefficient for the collision of a room-temperature helium atom with an ultracold lithium atom. This rate coefficient has been computed as part of the characterization of a cold-atom vacuum sensor based on laser-cooled 6Li or 7Li atoms that will operate in the ultrahigh-vacuum (p < 10-6 Pa) and extreme-high-vacuum (p < 10-10 Pa) regimes. The analysis involves computing the X 2 Σ+ HeLi Born-Oppenheimer potential followed by the numerical solution of the relevant radial Schrodinger equation. The potential is computed using a single-reference-coupled-cluster electronic-structure method with basis sets of different completeness in order to characterize our uncertainty budget. We predict that the rate coefficient for a 300 K helium gas and a 1 µK Li gas is 1.467(13) × 10-9 cm3/s for 4He + 6Li and 1.471(13) × 10-9 cm3/s for 4He + 7Li, where the numbers in parentheses are the one-standard-deviation uncertainties in the last two significant digits. We quantify the temperature dependence as well. Finally, we evaluate the s-wave scattering length and binding of the single van der Waals bound state of HeLi. We predict that this weakly bound level has a binding energy of -0.0064(43) × hc cm-1 and -0.0122(67) × hc cm-1 for 4He6Li and 4He7Li, respectively. The calculated binding energy of 4He7Li is consistent with the sole experimental determination.

Elastic rate coefficients for Li+H2 collisions in the calibration of a cold-atom vacuum standard.

Ongoing efforts at the National Institute of Standards and Technology in creating a cold-atom vacuum standard device have prompted theoretical investigations of atom-molecule collision processes that characterize its operation. Such a device will operate as a primary standard for the ultrahigh-vacuum and extreme-high-vacuum regimes. This device operates by relating loss of ultracold lithium atoms from a conservative trap by collisions with ambient atoms and molecules to the background density and thus pressure through the ideal gas law. The predominant background constituent in these environments is molecular hydrogen H2. We compute the relevant Li+H2 Born-Oppenheimer potential energy surface, paying special attention to its uncertainty. Coupled-channel calculations are then used to obtain total rate coefficients, which include momentum-changing elastic and inelastic processes. We find that inelastic rotational quenching of H2 is negligible near room temperature. For a (T = 300)-K gas of H2 and 1.0-µK gas of Li atoms prepared in a single hyperfine state, the total rate coefficients are 6.0(1) × 10-9 cm3/s for both 6Li and 7Li isotopes, where the number in parentheses corresponds to a one-standard-deviation combined statistical and systematic uncertainty. We find that a 10-K increase in the H2 temperature leads to a 1.9% increase in the rate coefficients for both isotopes. For Li temperatures up to 100 µK, changes are negligible. Finally, a semiclassical Born approximation significantly overestimates the rate coefficients. The difference is at least ten times the uncertainty of the coupled-channel result.

Automated Piston Gauge Calibration System.

Piston gauges or pressure balances are important primary standards for the realization of the SI unit of pressure, the pascal. Because of their long-term stability, they are also used as secondary or working standards in the dissemination of the pressure scale. The National Institute of Standards and Technology (NIST) operates and maintains a calibration service for these devices, and has recently undertaken a modernization effort. Following a preliminary investigation into the feasibility of using transducers as instantaneous in-situ transfer standards, we now present the results of a near fully automated calibration system. This effort includes the design, building, and validation of an automated gas-handling manifold, and the development of a new software suite. The new system demonstrates an expanded uncertainty on the order of 1 in 105, comparable to the traditional system, but offers a five-fold decrease in calibration turnaround time.

Toward 3D Printed Hydrogen Storage Materials Made with ABS-MOF Composites.

The push to advance efficient, renewable, and clean energy sources has brought with it an effort to generate materials that are capable of storing hydrogen. Metal-organic framework materials (MOFs) have been the focus of many such studies as they are categorized for their large internal surface areas. We have addressed one of the major shortcomings of MOFs (their processibility) by creating and 3D printing a composite of acrylonitrile butadiene styrene (ABS) and MOF-5, a prototypical MOF, which is often used to benchmark H2 uptake capacity of other MOFs. The ABS-MOF-5 composites can be printed at MOF-5 compositions of 10% and below. Other physical and mechanical properties of the polymer (glass transition temperature, stress and strain at the breaking point, and Young's modulus) either remain unchanged or show some degree of hardening due to the interaction between the polymer and the MOF. We do observe some MOF-5 degradation through the blending process, likely due to the ambient humidity through the purification and solvent casting steps. Even with this degradation, the MOF still retains some of its ability to uptake H2, seen in the ability of the composite to uptake more H2 than the pure polymer. The experiments and results described here represent a significant first step toward 3D printing MOF-5-based materials for H2 storage.

How to Build a Vacuum Spring-transport Package for Spinning Rotor Gauges.

The spinning rotor gauge (SRG) is a high-vacuum gauge often used as a secondary or transfer standard for vacuum pressures in the range of 1.0 x 10(-4) Pa to 1.0 Pa. In this application, the SRGs are frequently transported to laboratories for calibration. Events can occur during transportation that change the rotor surface conditions, thus changing the calibration factor. To assure calibration stability, a spring-transport mechanism is often used to immobilize the rotor and keep it under vacuum during transport. It is also important to transport the spring-transport mechanism using packaging designed to minimize the risk of damage during shipping. In this manuscript, a detailed description is given on how to build a robust spring-transport mechanism and shipping container. Together these form a spring-transport package. The spring-transport package design was tested using drop-tests and the performance was found to be excellent. The present spring-transport mechanism design keeps the rotor immobilized when experiencing shocks of several hundred g (g = 9.8 m/sec(2) and is the acceleration due to gravity), while the shipping container assures that the mechanism will not experience shocks greater than about 100 g during common shipping mishaps (as defined by industry standards).