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Nano-size confinement induces many intriguing non-Fourier heat conduction phenomena, such as nonlinear temperature gradients, temperature jumps near the contacts, and size-dependent thermal conductivity. Over the past decades, these effects have been studied and interpreted by nonequilibrium molecular dynamics (NEMD) and phonon Boltzmann transport equation (BTE) simulations separately, but no theory that unifies these two methods has ever been established. In this work, we unify these methods using a quantitative mode-level comparison and demonstrate that they are equivalent for various thermostats. We show that different thermostats result in different non-Fourier thermal transport characteristics due to the different mode-level phonon excitations inside the thermostats, which explains the different size-dependent thermal conductivities calculated using different reservoirs, even though they give the same bulk thermal conductivity. Specifically, the Langevin thermostat behaves like a thermalizing boundary in phonon BTE and provides mode-level thermal-equilibrium phonon outlets, while the Nose-Hoover chain thermostat and velocity rescaling method behave like biased reservoirs, which provide a spatially uniform heat generation and mode-level nonequilibrium phonon outlets. These findings explain why different experimental measurement methods can yield different size-dependent thermal conductivity. They also indicate that the thermal conductivity of materials can be tuned for various applications by specifically designing thermostats. The unification of NEMD and phonon BTE will largely facilitate the study of thermal transport in complex systems in the future by, e.g., replacing computationally unaffordable first-principles NEMD simulations with computationally less expensive spectral BTE simulations.

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In the United States, commercial buildings accounted for about 19 percent of the total primary energy consumption in 2012. Further, 29 percent of the 'site' energy in commercial buildings was consumed for space heating and cooling. Applying insulation materials to building envelopes is an effective way of reducing energy consumption for heating and cooling, and limiting the negative environmental impacts from the buildings sector. While insulation materials have a net positive impact on the environment due to reduced energy consumption, they also have some negative impacts associated with their 'embodied energy'. The total lifetime environmental impacts of insulation materials are a summation of: (1) direct impacts due to their embodied energy, and (2) indirect or impacts avoided due to the reduced building energy consumption. Here, assessments of the lifetime environmental impacts of selected insulation materials for commercial buildings in North America are presented. Direct and indirect environmental impact factors were estimated for the cradle-to-grave insulation life cycle stages. Impact factors were calculated for two categories: primary energy consumption and global warming potential. The direct impact factors were calculated using data from existing literature and a life cycle assessment software. The indirect impact factors were calculated through simulations of a set of standard whole-building models.

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